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-])c1cccc2c1CCN(C(=O)c1ccc(Cl)cc1[O-])C2 ZINC000322285247 970869201 /nfs/dbraw/zinc/86/92/01/970869201.db2.gz PFLHPQMOTJCVCR-UHFFFAOYSA-N -2 1 331.755 2.942 20 0 EFADML Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1C ZINC000322724169 970923208 /nfs/dbraw/zinc/92/32/08/970923208.db2.gz RRSFLTWEUIJSMW-UHFFFAOYSA-N -2 1 334.397 2.814 20 0 EFADML O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001601975548 971096145 /nfs/dbraw/zinc/09/61/45/971096145.db2.gz PDZNIMQCEGOCSX-NSHDSACASA-N -2 1 325.792 2.692 20 0 EFADML CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]n1 ZINC000325633761 971232913 /nfs/dbraw/zinc/23/29/13/971232913.db2.gz XJUFSZUYMBEXOA-TWGQIWQCSA-N -2 1 349.412 2.606 20 0 EFADML O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000044483692 948896416 /nfs/dbraw/zinc/89/64/16/948896416.db2.gz YRFZWJJAUJEWCC-SNVBAGLBSA-N -2 1 342.189 2.624 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(Cl)n1 ZINC000193332989 949521003 /nfs/dbraw/zinc/52/10/03/949521003.db2.gz ONLKODNIDDFXNS-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1c([O-])cnc2c(F)cccc21)c1ccccc1 ZINC001594785176 953661501 /nfs/dbraw/zinc/66/15/01/953661501.db2.gz PTUVYXFCDWHIPL-HNNXBMFYSA-N -2 1 340.310 2.635 20 0 EFADML C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC[C@H]1C(=O)[O-] ZINC001589393035 954343820 /nfs/dbraw/zinc/34/38/20/954343820.db2.gz VQWQCIRYMDTYJF-PSASIEDQSA-N -2 1 331.290 2.594 20 0 EFADML C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115554 956093541 /nfs/dbraw/zinc/09/35/41/956093541.db2.gz WTRUMYRHQRACQU-JFUSQASVSA-N -2 1 325.792 2.911 20 0 EFADML O=C([O-])[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccc(F)cc1 ZINC001594719626 956961870 /nfs/dbraw/zinc/96/18/70/956961870.db2.gz SRHMYZUAKRSSFP-CQSZACIVSA-N -2 1 340.310 2.635 20 0 EFADML CCC[C@](C)(NC(=O)c1ccc(Br)cc1[O-])C(=O)[O-] ZINC000044483661 957445914 /nfs/dbraw/zinc/44/59/14/957445914.db2.gz YOLOUJGCUMOUCC-ZDUSSCGKSA-N -2 1 330.178 2.528 20 0 EFADML CCCC[C@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)[O-] ZINC000044483656 957446301 /nfs/dbraw/zinc/44/63/01/957446301.db2.gz URBJIZHWWLUJGM-JTQLQIEISA-N -2 1 330.178 2.528 20 0 EFADML O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc2ccccc2c1[O-] ZINC000391430656 972336496 /nfs/dbraw/zinc/33/64/96/972336496.db2.gz MANLULDUSFFHPY-LLVKDONJSA-N -2 1 327.258 2.681 20 0 EFADML CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(Br)cc1[O-] ZINC000136690526 958904395 /nfs/dbraw/zinc/90/43/95/958904395.db2.gz JUGVURHJGQWLOH-NSHDSACASA-N -2 1 344.205 2.774 20 0 EFADML CC(C)(CCC(=O)[O-])NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001573470062 958946217 /nfs/dbraw/zinc/94/62/17/958946217.db2.gz NILMRRAXTSGCEQ-UHFFFAOYSA-N -2 1 345.351 2.838 20 0 EFADML CCC[C@@](C)(NC(=O)c1cc(Br)ccc1[O-])C(=O)[O-] ZINC000223840910 959843377 /nfs/dbraw/zinc/84/33/77/959843377.db2.gz XIMYQEKEBSCDFF-CYBMUJFWSA-N -2 1 330.178 2.528 20 0 EFADML CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001588654224 960408613 /nfs/dbraw/zinc/40/86/13/960408613.db2.gz ZGYJTKUGNSMLAC-UHFFFAOYSA-N -2 1 333.306 2.984 20 0 EFADML CCc1nccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184669454 960515173 /nfs/dbraw/zinc/51/51/73/960515173.db2.gz BIRDYZBBLNHIOJ-UHFFFAOYSA-N -2 1 334.397 2.760 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC001198730823 960573608 /nfs/dbraw/zinc/57/36/08/960573608.db2.gz XGBJYAQIWULOSD-UHFFFAOYSA-N -2 1 334.378 2.795 20 0 EFADML O=C([O-])c1ccc(-c2ccc(/C=C\c3cc(=O)n4[n-]cnc4n3)o2)cc1 ZINC001258513248 960657977 /nfs/dbraw/zinc/65/79/77/960657977.db2.gz UFYATFLKBTVJRP-WAYWQWQTSA-N -2 1 348.318 2.546 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1 ZINC001260184522 960695512 /nfs/dbraw/zinc/69/55/12/960695512.db2.gz PBYKJEYUTXDSKR-UHFFFAOYSA-N -2 1 347.179 2.887 20 0 EFADML CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001573819389 960938133 /nfs/dbraw/zinc/93/81/33/960938133.db2.gz BLJUQECDHAGSHQ-IBGZPJMESA-N -2 1 343.379 2.968 20 0 EFADML CCOc1cc(-c2noc(CSCC(=O)[O-])n2)cc(Cl)c1[O-] ZINC001610351959 970729888 /nfs/dbraw/zinc/72/98/88/970729888.db2.gz JKGCQEYTJXJRNJ-UHFFFAOYSA-N -2 1 344.776 2.812 20 0 EFADML C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001603366003 972854865 /nfs/dbraw/zinc/85/48/65/972854865.db2.gz QSJVFVWWBNUSAZ-SCZZXKLOSA-N -2 1 331.290 2.594 20 0 EFADML C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001603387932 972986584 /nfs/dbraw/zinc/98/65/84/972986584.db2.gz DBABYOVUHXAVLU-RKDXNWHRSA-N -2 1 331.290 2.736 20 0 EFADML C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1C(=O)[O-] ZINC001603409031 973080895 /nfs/dbraw/zinc/08/08/95/973080895.db2.gz FUKNPTBZGIJFKU-PRHODGIISA-N -2 1 331.290 2.736 20 0 EFADML C[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H]1C(=O)[O-] ZINC001603410730 973092515 /nfs/dbraw/zinc/09/25/15/973092515.db2.gz WZFVKZCJOLKTOS-BMIGLBTASA-N -2 1 329.352 2.576 20 0 EFADML C[C@@](CC(=O)[O-])(NC(=O)c1c([O-])cccc1Cl)c1ccccn1 ZINC001592303421 977657276 /nfs/dbraw/zinc/65/72/76/977657276.db2.gz JYHBIMUSWHKIOQ-INIZCTEOSA-N -2 1 334.759 2.561 20 0 EFADML O=C([O-])Cc1c[n-]n(-c2cc(Cl)ccc2Br)c1=O ZINC000723464097 978211103 /nfs/dbraw/zinc/21/11/03/978211103.db2.gz KFSTZBISGBXZMA-ZCFIWIBFSA-N -2 1 331.553 2.526 20 0 EFADML Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000793348674 978802979 /nfs/dbraw/zinc/80/29/79/978802979.db2.gz BNCIIPAHDJRHFM-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1 ZINC000821111315 978925966 /nfs/dbraw/zinc/92/59/66/978925966.db2.gz HNNXVQAVZAXGQU-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(F)(F)F ZINC001594922388 982477180 /nfs/dbraw/zinc/47/71/80/982477180.db2.gz YVRKIWQAJSGLPH-IMTBSYHQSA-N -2 1 345.364 2.702 20 0 EFADML CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001594975441 982749350 /nfs/dbraw/zinc/74/93/50/982749350.db2.gz JACZRQOJJRUIFV-NSHDSACASA-N -2 1 345.351 2.790 20 0 EFADML CCCc1ccc(S(=O)(=O)[N-]c2cc(O)ccc2C(=O)[O-])cc1 ZINC001596069158 983383470 /nfs/dbraw/zinc/38/34/70/983383470.db2.gz RBGWJZZVEZRDGD-UHFFFAOYSA-N -2 1 335.381 2.844 20 0 EFADML C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@]1(C)C(=O)[O-] ZINC001599925811 985197591 /nfs/dbraw/zinc/19/75/91/985197591.db2.gz SKFDHGIJIDBCTR-RTHLEPHNSA-N -2 1 331.290 2.594 20 0 EFADML C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC[C@H]1C(=O)[O-] ZINC001599925817 985197824 /nfs/dbraw/zinc/19/78/24/985197824.db2.gz TWOZVYMWWWBAOL-WCBMZHEXSA-N -2 1 331.290 2.594 20 0 EFADML CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001589199402 985631573 /nfs/dbraw/zinc/63/15/73/985631573.db2.gz IRXMFVBPXLUKMB-UHFFFAOYSA-N -2 1 346.314 2.749 20 0 EFADML Cc1[nH]c(C(=O)[O-])cc1C(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC001599961269 985786118 /nfs/dbraw/zinc/78/61/18/985786118.db2.gz PTQZNXAXOWOUKS-UHFFFAOYSA-N -2 1 347.396 2.678 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2cscc2C(=O)[O-])c1 ZINC001589290942 986032094 /nfs/dbraw/zinc/03/20/94/986032094.db2.gz HRECVYJFKYFSGF-UHFFFAOYSA-N -2 1 334.349 2.754 20 0 EFADML CCOc1ccc(S(=O)(=O)[N-]c2cc(C)sc2C(=O)[O-])cc1 ZINC001597137264 986875545 /nfs/dbraw/zinc/87/55/45/986875545.db2.gz HLLOTNKYLIQKMO-UHFFFAOYSA-N -2 1 341.410 2.954 20 0 EFADML C[C@H](C(=O)[O-])N(C(=O)c1c([O-])cnc2c(F)cccc21)C1CCC1 ZINC001589476865 986978755 /nfs/dbraw/zinc/97/87/55/986978755.db2.gz HKDBERKBMOHKIY-SECBINFHSA-N -2 1 332.331 2.547 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1OC ZINC001597557097 988294000 /nfs/dbraw/zinc/29/40/00/988294000.db2.gz WXLZHRDQHBRVMI-UHFFFAOYSA-N -2 1 349.408 2.686 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])cc1CC ZINC001597562386 988307201 /nfs/dbraw/zinc/30/72/01/988307201.db2.gz XOMASOSKCUGQDQ-UHFFFAOYSA-N -2 1 336.413 2.947 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)cc1 ZINC001597562400 988307221 /nfs/dbraw/zinc/30/72/21/988307221.db2.gz XZVZPNPRKUYKDW-UHFFFAOYSA-N -2 1 345.380 2.624 20 0 EFADML CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ncc(C)cc2[O-])cc1 ZINC001599812165 988356210 /nfs/dbraw/zinc/35/62/10/988356210.db2.gz RASYCLJXJULPFE-ZDUSSCGKSA-N -2 1 346.408 2.763 20 0 EFADML CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001597584947 988392964 /nfs/dbraw/zinc/39/29/64/988392964.db2.gz JPXNVMBHTUBLOZ-UHFFFAOYSA-N -2 1 334.397 2.705 20 0 EFADML CCc1nc(S[C@@H](Cc2ccc(F)cc2)C(=O)[O-])[n-]c(=O)c1C ZINC001597689133 988857321 /nfs/dbraw/zinc/85/73/21/988857321.db2.gz FOTQXVBHFJYXLI-ZDUSSCGKSA-N -2 1 336.388 2.980 20 0 EFADML CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC001597785250 989303085 /nfs/dbraw/zinc/30/30/85/989303085.db2.gz FQKHPDSJEIZECO-UHFFFAOYSA-N -2 1 327.333 2.789 20 0 EFADML CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC001597785684 989305550 /nfs/dbraw/zinc/30/55/50/989305550.db2.gz NEVHYLCSGYPIKV-UHFFFAOYSA-N -2 1 349.286 2.758 20 0 EFADML COc1cnc([C@@H]2CCCN2Cc2ccc(C)c(C(=O)[O-])c2)[n-]c1=O ZINC001599724060 991588023 /nfs/dbraw/zinc/58/80/23/991588023.db2.gz AIPMASKRPMRGIV-AWEZNQCLSA-N -2 1 343.383 2.535 20 0 EFADML CC(C)C[C@H](CNC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)[O-] ZINC001591153890 991900189 /nfs/dbraw/zinc/90/01/89/991900189.db2.gz ZNUOCQZYWRLQKP-SNVBAGLBSA-N -2 1 334.347 2.556 20 0 EFADML C[C@H](NC(=O)c1cccc([O-])c1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593175511 994046902 /nfs/dbraw/zinc/04/69/02/994046902.db2.gz ORVOHPSRHZUXQE-SMDDNHRTSA-N -2 1 331.343 2.593 20 0 EFADML C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)C1CCCCC1 ZINC001593326937 994884312 /nfs/dbraw/zinc/88/43/12/994884312.db2.gz RAIBCWLZEKBELQ-MRVPVSSYSA-N -2 1 335.809 2.878 20 0 EFADML COc1cccc([O-])c1C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001599680270 994968850 /nfs/dbraw/zinc/96/88/50/994968850.db2.gz JFKFLDLQCPZUPI-SECBINFHSA-N -2 1 349.314 2.644 20 0 EFADML COc1cccc([O-])c1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599680435 994971761 /nfs/dbraw/zinc/97/17/61/994971761.db2.gz QIMZTVADYKYKLS-UHFFFAOYSA-N -2 1 326.308 2.833 20 0 EFADML C[C@H](Oc1ccccc1CNCc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001593648038 995996095 /nfs/dbraw/zinc/99/60/95/995996095.db2.gz HNIXLBFFUMUKSG-LBPRGKRZSA-N -2 1 329.352 2.527 20 0 EFADML C[C@@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001593792685 996510189 /nfs/dbraw/zinc/51/01/89/996510189.db2.gz ZNLUWOSBXJUIIM-MRXNPFEDSA-N -2 1 334.759 2.531 20 0 EFADML C[C@]1(CS(=O)(=O)[N-]c2sccc2C(=O)[O-])CC1(Cl)Cl ZINC001594038856 997643683 /nfs/dbraw/zinc/64/36/83/997643683.db2.gz GXDRTFVIJQTQNA-SECBINFHSA-N -2 1 344.241 2.772 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)ccc1C(=O)[O-] ZINC001599459689 998251114 /nfs/dbraw/zinc/25/11/14/998251114.db2.gz NKHORRIKAACKER-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CO[C@H](CS(=O)(=O)[N-]c1c(C(=O)[O-])ccc2ccccc21)C1CC1 ZINC001599055748 999228599 /nfs/dbraw/zinc/22/85/99/999228599.db2.gz INOYYHWGKPLVRM-OAHLLOKOSA-N -2 1 349.408 2.705 20 0 EFADML C[C@@H]1CC[C@@]([N-]C(=O)C(F)(F)C(F)F)(C(=O)[O-])c2ccccc21 ZINC001594324509 999252116 /nfs/dbraw/zinc/25/21/16/999252116.db2.gz ZSTWQPQBDROXED-CLAHSXSESA-N -2 1 333.281 2.880 20 0 EFADML C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001594348555 999321846 /nfs/dbraw/zinc/32/18/46/999321846.db2.gz PITQPQFMQMTOCH-ZJUUUORDSA-N -2 1 347.383 2.768 20 0 EFADML C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)[C@H]1C ZINC001594348615 999322368 /nfs/dbraw/zinc/32/23/68/999322368.db2.gz RLPKIJSCNSAKRK-UTLUCORTSA-N -2 1 349.836 2.982 20 0 EFADML C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CC1 ZINC001594352230 999333094 /nfs/dbraw/zinc/33/30/94/999333094.db2.gz ANDDNDCXCISOCF-BDAKNGLRSA-N -2 1 335.809 2.878 20 0 EFADML C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CC1 ZINC001594352232 999333152 /nfs/dbraw/zinc/33/31/52/999333152.db2.gz ANDDNDCXCISOCF-IUCAKERBSA-N -2 1 335.809 2.878 20 0 EFADML C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001594365407 999380449 /nfs/dbraw/zinc/38/04/49/999380449.db2.gz DXRSAUPBYMNDGW-DTWKUNHWSA-N -2 1 335.809 2.736 20 0 EFADML Cc1c([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc(F)c1C(=O)[O-] ZINC001600055467 1094743354 /nfs/dbraw/zinc/74/33/54/1094743354.db2.gz UKTFCWBDJINVHL-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1cc(C)c(S(=O)(=O)[N-]c2cc(O)ccc2C(=O)[O-])c(C)c1 ZINC001600164562 1094829807 /nfs/dbraw/zinc/82/98/07/1094829807.db2.gz CQSYMHCQXCQCGN-UHFFFAOYSA-N -2 1 335.381 2.816 20 0 EFADML Cc1cc(C)cc([C@H](NC(=O)c2cc(C)cc(C=O)c2[O-])C(=O)[O-])c1 ZINC001600169757 1094835245 /nfs/dbraw/zinc/83/52/45/1094835245.db2.gz NCENEOFLKRDJIV-INIZCTEOSA-N -2 1 341.363 2.686 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC001600184922 1094851918 /nfs/dbraw/zinc/85/19/18/1094851918.db2.gz BSHPXACKXCMDJP-UHFFFAOYSA-N -2 1 333.384 2.668 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001600186266 1094852635 /nfs/dbraw/zinc/85/26/35/1094852635.db2.gz QEEJRFXGIQTZQS-HNNXBMFYSA-N -2 1 345.326 2.598 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC001600483160 1095100201 /nfs/dbraw/zinc/10/02/01/1095100201.db2.gz JNMWJPQUPCRFEO-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cnc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c([O-])c1 ZINC001600617233 1095212804 /nfs/dbraw/zinc/21/28/04/1095212804.db2.gz ZNXRQZXDWQJCSX-UHFFFAOYSA-N -2 1 342.376 2.939 20 0 EFADML Cc1nc(SCC(C)C)sc1CC(=O)[N-]OCCCC(=O)[O-] ZINC001600716943 1095285911 /nfs/dbraw/zinc/28/59/11/1095285911.db2.gz DBTWINCCXWLCDE-UHFFFAOYSA-N -2 1 346.474 2.655 20 0 EFADML Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1cccc([O-])c1F ZINC001600909937 1095422389 /nfs/dbraw/zinc/42/23/89/1095422389.db2.gz XKSZFWRQVWMLKD-ZDUSSCGKSA-N -2 1 346.358 2.935 20 0 EFADML Cn1cc(NC(=O)c2ccc3ccc(O)cc3c2[O-])cc1C(=O)[O-] ZINC001600966224 1095449613 /nfs/dbraw/zinc/44/96/13/1095449613.db2.gz NAEPEYNVTMOOGG-UHFFFAOYSA-N -2 1 326.308 2.540 20 0 EFADML O=C([O-])[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1cc(F)ccc1F ZINC001601397729 1095654491 /nfs/dbraw/zinc/65/44/91/1095654491.db2.gz VSBVRSKOJKOOEQ-CYBMUJFWSA-N -2 1 341.697 2.880 20 0 EFADML O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1c(F)ccc([O-])c1F ZINC001601416218 1095666677 /nfs/dbraw/zinc/66/66/77/1095666677.db2.gz RAVBPXBVPLQOLH-NSHDSACASA-N -2 1 327.327 2.824 20 0 EFADML O=C([O-])[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cc(F)ccc1[O-] ZINC001601423510 1095668188 /nfs/dbraw/zinc/66/81/88/1095668188.db2.gz XNHPUBDFUOYKJQ-CQSZACIVSA-N -2 1 343.310 2.703 20 0 EFADML O=C([O-])c1c(NC(=O)c2ccc3ccccc3c2[O-])nc2n1CCC2 ZINC001601632481 1095774340 /nfs/dbraw/zinc/77/43/40/1095774340.db2.gz UJUZVALTHZMZQG-UHFFFAOYSA-N -2 1 337.335 2.639 20 0 EFADML O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)C1CCCCC1 ZINC001601655556 1095786599 /nfs/dbraw/zinc/78/65/99/1095786599.db2.gz PWNWVCAKBCLIDK-NSHDSACASA-N -2 1 347.383 2.524 20 0 EFADML O=C([O-])[C@]1(C(=O)Nc2ccc([O-])c(F)c2F)C[C@@H]1c1ccccc1 ZINC001601702190 1095843401 /nfs/dbraw/zinc/84/34/01/1095843401.db2.gz MOSMKBPFNQYCCG-BMLIUANNSA-N -2 1 333.290 2.867 20 0 EFADML O=C([O-])[C@@]1(C(=O)Nc2ccc([O-])c(F)c2F)C[C@H]1c1ccccc1 ZINC001601702192 1095843471 /nfs/dbraw/zinc/84/34/71/1095843471.db2.gz MOSMKBPFNQYCCG-BTDLBPIBSA-N -2 1 333.290 2.867 20 0 EFADML O=C([O-])[C@@]1(C(=O)Nc2cc(F)cc(F)c2[O-])C[C@@H]1c1ccccc1 ZINC001601705134 1095848359 /nfs/dbraw/zinc/84/83/59/1095848359.db2.gz ZILHFDPPRSWQKW-DIFFPNOSSA-N -2 1 333.290 2.867 20 0 EFADML O=C([O-])C1(CS(=O)(=O)[N-]c2cc(F)cc(F)c2)CCCCC1 ZINC001601715873 1095861052 /nfs/dbraw/zinc/86/10/52/1095861052.db2.gz GHVBBSCDZFKFID-UHFFFAOYSA-N -2 1 333.356 2.742 20 0 EFADML O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)CC2 ZINC001601774444 1095902010 /nfs/dbraw/zinc/90/20/10/1095902010.db2.gz YYVCYCJVVKCPHT-NSHDSACASA-N -2 1 343.301 2.738 20 0 EFADML O=C([O-])CC1(NC(=O)c2c([O-])cnc3c(F)cccc32)CCCCC1 ZINC001601930859 1095982236 /nfs/dbraw/zinc/98/22/36/1095982236.db2.gz SMUJJMKWXRNAEP-UHFFFAOYSA-N -2 1 346.358 2.987 20 0 EFADML O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC001601971401 1095998325 /nfs/dbraw/zinc/99/83/25/1095998325.db2.gz ACPPQCBMPIHYRW-AWEZNQCLSA-N -2 1 331.343 2.737 20 0 EFADML O=C([O-])CCSc1ncccc1[N-]C(=O)c1cc(C2CC2)no1 ZINC001602034679 1096028391 /nfs/dbraw/zinc/02/83/91/1096028391.db2.gz PFHYCQWQXFNROG-UHFFFAOYSA-N -2 1 333.369 2.766 20 0 EFADML O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cccc([O-])c1F ZINC001602059312 1096044876 /nfs/dbraw/zinc/04/48/76/1096044876.db2.gz KQKBQTSRDDVQPU-UHFFFAOYSA-N -2 1 337.734 2.912 20 0 EFADML O=C([O-])COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC001602080206 1096049111 /nfs/dbraw/zinc/04/91/11/1096049111.db2.gz GNGWTSJKUGJNAO-UHFFFAOYSA-N -2 1 330.271 2.712 20 0 EFADML O=C([O-])C[C@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001602114615 1096072944 /nfs/dbraw/zinc/07/29/44/1096072944.db2.gz NTEVGUSMYKUHTH-AWEZNQCLSA-N -2 1 347.798 2.790 20 0 EFADML O=C([O-])[C@@H]1CC[C@@H]1[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001602175613 1096103700 /nfs/dbraw/zinc/10/37/00/1096103700.db2.gz CSPIBANAENEKJE-APPZFPTMSA-N -2 1 345.829 2.696 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CCCC2CCC2)c1F ZINC001602274034 1096153633 /nfs/dbraw/zinc/15/36/33/1096153633.db2.gz YBDJLIKYKRLTKF-UHFFFAOYSA-N -2 1 333.356 2.522 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)oc1Cl ZINC001602297817 1096165014 /nfs/dbraw/zinc/16/50/14/1096165014.db2.gz MVLXTENLDXBVBT-LLVKDONJSA-N -2 1 341.772 2.597 20 0 EFADML O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2sccc2Cl)cc1 ZINC001602333426 1096183511 /nfs/dbraw/zinc/18/35/11/1096183511.db2.gz AABVCQWKJRTZSW-UHFFFAOYSA-N -2 1 345.829 2.621 20 0 EFADML O=C([O-])c1ccc2cc(CCNC(=O)c3cc(F)ccc3[O-])oc2c1 ZINC001602428569 1096240354 /nfs/dbraw/zinc/24/03/54/1096240354.db2.gz VUNUBCWWAKDVRQ-UHFFFAOYSA-N -2 1 343.310 2.948 20 0 EFADML O=C([O-])c1cccc(CS(=O)(=O)[N-]c2cc3c(cn2)CCCC3)c1 ZINC001602441037 1096247231 /nfs/dbraw/zinc/24/72/31/1096247231.db2.gz HXPLGHPXPHNATN-UHFFFAOYSA-N -2 1 346.408 2.601 20 0 EFADML O=C([O-])c1cccc2c1CN(C(=O)c1ncc3ccccc3c1[O-])CC2 ZINC001602458866 1096255953 /nfs/dbraw/zinc/25/59/53/1096255953.db2.gz CXRQMBNICQNAPW-UHFFFAOYSA-N -2 1 348.358 2.837 20 0 EFADML O=C([O-])c1coc(COC(=O)c2ccc(Br)c([O-])c2)c1 ZINC001602556436 1096296267 /nfs/dbraw/zinc/29/62/67/1096296267.db2.gz ROXAGBALYSCUFB-UHFFFAOYSA-N -2 1 341.113 2.803 20 0 EFADML O=C([O-])c1csc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC001602561603 1096300082 /nfs/dbraw/zinc/30/00/82/1096300082.db2.gz YXMUSUDVTUGOSD-UHFFFAOYSA-N -2 1 346.408 2.642 20 0 EFADML CC(=O)c1cc(F)c([N-]C(=O)c2ccc(C(=O)[O-])o2)c(F)c1F ZINC001603103352 1096442537 /nfs/dbraw/zinc/44/25/37/1096442537.db2.gz NLJADDUWRXAJQV-UHFFFAOYSA-N -2 1 327.214 2.850 20 0 EFADML C[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC001603212499 1096474061 /nfs/dbraw/zinc/47/40/61/1096474061.db2.gz BMVDWMRLAWJIQF-NSHDSACASA-N -2 1 347.392 2.706 20 0 EFADML C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001604239117 1096782376 /nfs/dbraw/zinc/78/23/76/1096782376.db2.gz SCTPFZKZUNDKLQ-ZETCQYMHSA-N -2 1 349.817 2.602 20 0 EFADML C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001604494813 1096880851 /nfs/dbraw/zinc/88/08/51/1096880851.db2.gz OYPNOGJYCKZAHL-GOSISDBHSA-N -2 1 329.352 2.578 20 0 EFADML C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C[C@@H]1C ZINC001604706637 1096936537 /nfs/dbraw/zinc/93/65/37/1096936537.db2.gz PABFTJAXEAPAGU-WCABBAIRSA-N -2 1 347.383 2.766 20 0 EFADML CC[C@](CNC(=O)c1c(F)ccc([O-])c1F)(C(=O)[O-])c1ccccc1 ZINC001605036023 1097007774 /nfs/dbraw/zinc/00/77/74/1097007774.db2.gz YUZCYGXMJNFVGB-GOSISDBHSA-N -2 1 349.333 2.833 20 0 EFADML CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605163482 1097039366 /nfs/dbraw/zinc/03/93/66/1097039366.db2.gz NSCXMCWLNVASEN-KCJUWKMLSA-N -2 1 333.356 2.520 20 0 EFADML O=P([O-])([O-])C1(Nc2ncc3ccsc3n2)Cc2ccccc2C1 ZINC001167932642 1097319723 /nfs/dbraw/zinc/31/97/23/1097319723.db2.gz UHCBGRXJCCUGIL-UHFFFAOYSA-N -2 1 347.336 2.776 20 0 EFADML COC(=O)c1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)[n-]1 ZINC001606584218 1097422945 /nfs/dbraw/zinc/42/29/45/1097422945.db2.gz DLRKOBRUNRGKNI-UHFFFAOYSA-N -2 1 337.715 2.510 20 0 EFADML Cc1cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc(C(=O)[O-])c1 ZINC001607691201 1097700865 /nfs/dbraw/zinc/70/08/65/1097700865.db2.gz VOJWRCABDKSRRA-UHFFFAOYSA-N -2 1 329.356 2.873 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1C(=O)[O-] ZINC001607822953 1097743704 /nfs/dbraw/zinc/74/37/04/1097743704.db2.gz LOQXUFOKTAKULB-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1cnc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c([O-])c1 ZINC001607903708 1097773489 /nfs/dbraw/zinc/77/34/89/1097773489.db2.gz YVRWEZGEOLJSRL-KBPBESRZSA-N -2 1 326.352 2.526 20 0 EFADML Cc1cnc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c([O-])c1 ZINC001607904953 1097773920 /nfs/dbraw/zinc/77/39/20/1097773920.db2.gz GPOWZDHXVOKCEU-OAHLLOKOSA-N -2 1 328.368 2.678 20 0 EFADML Cc1oc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)cc1C(=O)[O-] ZINC001608047411 1097815252 /nfs/dbraw/zinc/81/52/52/1097815252.db2.gz QDEUPVNWWMIYND-UHFFFAOYSA-N -2 1 345.248 2.973 20 0 EFADML O=C([O-])c1ccc(CCC(=O)Nc2n[nH]c3cc(O)ccc32)cc1 ZINC001608316944 1097892338 /nfs/dbraw/zinc/89/23/38/1097892338.db2.gz XISJVLSBJMXXKK-UHFFFAOYSA-N -2 1 325.324 2.538 20 0 EFADML O=C([O-])c1c(NC(=O)c2cc3ccccc3cc2[O-])nc2n1CCC2 ZINC001608526094 1097941379 /nfs/dbraw/zinc/94/13/79/1097941379.db2.gz CTAHTJZHJARFFY-UHFFFAOYSA-N -2 1 337.335 2.639 20 0 EFADML O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC001608631968 1097971580 /nfs/dbraw/zinc/97/15/80/1097971580.db2.gz UFZHWBOCPYGIPY-YRGRVCCFSA-N -2 1 337.803 2.690 20 0 EFADML O=C([O-])C[C@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)C1CC1 ZINC001608667285 1097983027 /nfs/dbraw/zinc/98/30/27/1097983027.db2.gz AAHAVWSVSOCPOK-SNVBAGLBSA-N -2 1 348.786 2.825 20 0 EFADML O=C([O-])C[C@H](NC(=O)c1ncc2ccccc2c1[O-])C1CCCC1 ZINC001608674260 1097986637 /nfs/dbraw/zinc/98/66/37/1097986637.db2.gz PSAZGDKGMJLQNT-AWEZNQCLSA-N -2 1 328.368 2.704 20 0 EFADML O=C([O-])CCCOc1ccc(CNC(=O)c2ccc([O-])cc2F)cc1 ZINC001608717289 1097999751 /nfs/dbraw/zinc/99/97/51/1097999751.db2.gz KXTFQFMQNFFUPG-UHFFFAOYSA-N -2 1 347.342 2.705 20 0 EFADML O=C([O-])Cc1ccccc1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001608789125 1098022984 /nfs/dbraw/zinc/02/29/84/1098022984.db2.gz RHJHESMMCJRPNU-UHFFFAOYSA-N -2 1 333.771 2.532 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CC2CCCCC2)c1F ZINC001608850382 1098045089 /nfs/dbraw/zinc/04/50/89/1098045089.db2.gz OZGKXSBCRRDUDY-UHFFFAOYSA-N -2 1 333.356 2.522 20 0 EFADML O=C([O-])c1cccc2c1CCN(C(=O)c1c(F)ccc([O-])c1F)C2 ZINC001608940177 1098083227 /nfs/dbraw/zinc/08/32/27/1098083227.db2.gz CPONLGFKMFYKSN-UHFFFAOYSA-N -2 1 333.290 2.567 20 0 EFADML O=C([O-])c1nc([N-]C(=O)c2ocnc2C(F)(F)F)sc1C1CC1 ZINC001608996942 1098104526 /nfs/dbraw/zinc/10/45/26/1098104526.db2.gz HGAWHNGVMOCNQZ-UHFFFAOYSA-N -2 1 347.274 2.978 20 0 EFADML C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001609798589 1098460446 /nfs/dbraw/zinc/46/04/46/1098460446.db2.gz PKKSIRZAAAXWJG-ZCFIWIBFSA-N -2 1 349.166 2.924 20 0 EFADML CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)C(F)F ZINC001609932261 1098497981 /nfs/dbraw/zinc/49/79/81/1098497981.db2.gz STWNFCJMSABAAJ-RXMQYKEDSA-N -2 1 347.792 2.730 20 0 EFADML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC001610067938 1098537518 /nfs/dbraw/zinc/53/75/18/1098537518.db2.gz PMAHWJMWYCFOBL-UHFFFAOYSA-N -2 1 347.392 2.778 20 0 EFADML COc1cc(C(=O)N(CC(=O)[O-])c2ccccc2)cc(Cl)c1[O-] ZINC001610278624 1098598346 /nfs/dbraw/zinc/59/83/46/1098598346.db2.gz BOYIVZHIBUBLRS-UHFFFAOYSA-N -2 1 335.743 2.786 20 0 EFADML COc1cc(C(=O)N[C@H](C(=O)[O-])c2cccs2)cc(Cl)c1[O-] ZINC001610280649 1098599842 /nfs/dbraw/zinc/59/98/42/1098599842.db2.gz NKKRPPDJBBKMFQ-NSHDSACASA-N -2 1 341.772 2.671 20 0 EFADML Cc1c([N-]c2nn3cc(C4CCCC4)nc3s2)cnn1CC(=O)[O-] ZINC001610427577 1098672678 /nfs/dbraw/zinc/67/26/78/1098672678.db2.gz ZZOPIUBKGYTATL-UHFFFAOYSA-N -2 1 346.416 2.782 20 0 EFADML Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001610479659 1098701984 /nfs/dbraw/zinc/70/19/84/1098701984.db2.gz JHUREXKJBFNJJE-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1cccc(-n2cc([O-])c(C(=O)OCC3(CC(=O)[O-])CC3)n2)c1C ZINC001610518221 1098727859 /nfs/dbraw/zinc/72/78/59/1098727859.db2.gz ASZGARZWCKDVJP-UHFFFAOYSA-N -2 1 344.367 2.606 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccc(O)c1 ZINC001610679957 1098822396 /nfs/dbraw/zinc/82/23/96/1098822396.db2.gz QSAHLHPMDVXEIX-KRWDZBQOSA-N -2 1 337.331 2.807 20 0 EFADML O=C([O-])[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCCCC1 ZINC001610721716 1098848017 /nfs/dbraw/zinc/84/80/17/1098848017.db2.gz VKGQFTMTRQGKJZ-JTQLQIEISA-N -2 1 337.850 2.713 20 0 EFADML O=C([O-])CC1(CNC(=O)c2c(F)ccc([O-])c2F)CCCCC1 ZINC001610753916 1098868361 /nfs/dbraw/zinc/86/83/61/1098868361.db2.gz YCAPSLMSPNGVRN-UHFFFAOYSA-N -2 1 327.327 2.825 20 0 EFADML O=C([O-])c1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(F)cc1F ZINC001610813709 1098907444 /nfs/dbraw/zinc/90/74/44/1098907444.db2.gz BSENEERZVTYCMO-UHFFFAOYSA-N -2 1 349.215 2.790 20 0 EFADML O=C([O-])c1ccc([C@@H](NC(=O)c2ncccc2[O-])C(F)(F)F)cc1 ZINC001610825576 1098915712 /nfs/dbraw/zinc/91/57/12/1098915712.db2.gz QDPIUNJUXGIVEN-GFCCVEGCSA-N -2 1 340.257 2.519 20 0 EFADML O=C([O-])c1ccsc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC001610855813 1098939086 /nfs/dbraw/zinc/93/90/86/1098939086.db2.gz DDHJBBJKIBRBAJ-SOFGYWHQSA-N -2 1 327.358 2.998 20 0 EFADML O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC001610881707 1098956988 /nfs/dbraw/zinc/95/69/88/1098956988.db2.gz ZHUXQJPPWJLATG-SFHVURJKSA-N -2 1 345.782 2.914 20 0 EFADML O=C([O-])c1cc(F)cc(Nc2nc[n-]c(=O)c2Br)c1 ZINC001209887715 1102078297 /nfs/dbraw/zinc/07/82/97/1102078297.db2.gz KGXJPYWKPUCUJL-UHFFFAOYSA-N -2 1 328.097 2.526 20 0 EFADML O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(F)c(F)c([O-])c1F ZINC000183458666 304020141 /nfs/dbraw/zinc/02/01/41/304020141.db2.gz UDEMYYXQKVINSU-UHFFFAOYSA-N -2 1 343.208 2.932 20 0 EFADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000266140553 201218967 /nfs/dbraw/zinc/21/89/67/201218967.db2.gz FLHOIXZEHSLEQS-UHFFFAOYSA-N -2 1 345.420 2.993 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000178135591 239398697 /nfs/dbraw/zinc/39/86/97/239398697.db2.gz GDVQLIDYRLYDHQ-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1 ZINC000193480294 240109056 /nfs/dbraw/zinc/10/90/56/240109056.db2.gz LIAAEEZMEZKRIJ-UHFFFAOYSA-N -2 1 330.365 2.596 20 0 EFADML CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000211092139 241078711 /nfs/dbraw/zinc/07/87/11/241078711.db2.gz HBWLWGRJVLIRAB-JTQLQIEISA-N -2 1 346.257 2.834 20 0 EFADML O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000021017225 212201092 /nfs/dbraw/zinc/20/10/92/212201092.db2.gz LPNIOUSOVYWEFB-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000037374666 204264513 /nfs/dbraw/zinc/26/45/13/204264513.db2.gz CYZQGPHZHAJLEN-ZCFIWIBFSA-N -2 1 346.257 2.833 20 0 EFADML O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000047030369 204336270 /nfs/dbraw/zinc/33/62/70/204336270.db2.gz JAQMLDSEGQVVTN-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000047202411 204337181 /nfs/dbraw/zinc/33/71/81/204337181.db2.gz VWNSKFRWICEYRV-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC000425965551 247218882 /nfs/dbraw/zinc/21/88/82/247218882.db2.gz IZTDBUOQZFJQOM-UHFFFAOYSA-N -2 1 345.376 2.705 20 0 EFADML Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427315890 247336252 /nfs/dbraw/zinc/33/62/52/247336252.db2.gz PNBPULGWBRXMGC-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000444424873 250299793 /nfs/dbraw/zinc/29/97/93/250299793.db2.gz YTKRWYGMULBWAC-UHFFFAOYSA-N -2 1 349.393 2.637 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1F ZINC000097444786 219025309 /nfs/dbraw/zinc/02/53/09/219025309.db2.gz MNIHIKRNRDOBAE-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CCOc1cc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000263395870 141390369 /nfs/dbraw/zinc/39/03/69/141390369.db2.gz ZIBKTTJKIJVKFQ-ONGXEEELSA-N -2 1 341.791 2.627 20 0 EFADML Cc1cc(C(=O)NCC[C@@H]2CCCC[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000346203281 142166417 /nfs/dbraw/zinc/16/64/17/142166417.db2.gz UJTWBFYEPINXOI-JQWIXIFHSA-N -2 1 344.415 2.691 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc2n[nH]cc21 ZINC000346478966 142210432 /nfs/dbraw/zinc/21/04/32/142210432.db2.gz KXLQJIAOPFLZSF-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc2[nH]ncc21 ZINC000346499667 142212707 /nfs/dbraw/zinc/21/27/07/142212707.db2.gz OEFHAVPRNZCTEV-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2ccc(C(=O)[O-])cc2)[n-]c1=O ZINC000347480140 142223778 /nfs/dbraw/zinc/22/37/78/142223778.db2.gz HRECUKBCMQKBTL-NTMALXAHSA-N -2 1 328.324 2.618 20 0 EFADML Cc1cc(C(=O)NCCCCC2CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000347741773 142265466 /nfs/dbraw/zinc/26/54/66/142265466.db2.gz PCPVKMIVPQBZCU-UHFFFAOYSA-N -2 1 344.415 2.835 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000342282761 145093204 /nfs/dbraw/zinc/09/32/04/145093204.db2.gz PRNIJOLNVQMPLU-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000351828636 146212734 /nfs/dbraw/zinc/21/27/34/146212734.db2.gz HLILKIPTQXLKGK-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1F ZINC000356713524 147316989 /nfs/dbraw/zinc/31/69/89/147316989.db2.gz SCHPEZVHQHTYHD-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(F)c1 ZINC000356745513 147325801 /nfs/dbraw/zinc/32/58/01/147325801.db2.gz ZHXWKQKGHXAPLQ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000360512443 148380149 /nfs/dbraw/zinc/38/01/49/148380149.db2.gz CCSWCHJPLDLCHP-UHFFFAOYSA-N -2 1 339.394 2.613 20 0 EFADML CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000136256754 279825747 /nfs/dbraw/zinc/82/57/47/279825747.db2.gz VJJADSKCDULHJM-ZCFIWIBFSA-N -2 1 346.257 2.833 20 0 EFADML COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)C2=CCCCC2)c1OC ZINC000294311188 295145033 /nfs/dbraw/zinc/14/50/33/295145033.db2.gz VXPIEPCGLCTFHB-UHFFFAOYSA-N -2 1 341.385 2.602 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1C(=O)[O-] ZINC000323741348 311240425 /nfs/dbraw/zinc/24/04/25/311240425.db2.gz RFBKYHHJPYUYNO-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000325185506 311242793 /nfs/dbraw/zinc/24/27/93/311242793.db2.gz CSTFXNIHZNMQCV-LBPRGKRZSA-N -2 1 349.408 2.939 20 0 EFADML CCC[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(C)(C)C ZINC000456111802 313030237 /nfs/dbraw/zinc/03/02/37/313030237.db2.gz LITCZLIQMAPOBG-LLVKDONJSA-N -2 1 332.404 2.689 20 0 EFADML CC(C)[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000515839438 315641430 /nfs/dbraw/zinc/64/14/30/315641430.db2.gz JYKVEWWVJRADHI-OAHLLOKOSA-N -2 1 343.376 2.740 20 0 EFADML C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000516974053 315726327 /nfs/dbraw/zinc/72/63/27/315726327.db2.gz QAVYDNZBYNJBRK-LURJTMIESA-N -2 1 344.191 2.664 20 0 EFADML CC(C)[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000520576557 315967080 /nfs/dbraw/zinc/96/70/80/315967080.db2.gz KGHUOPRHNFUABW-OAHLLOKOSA-N -2 1 325.386 2.601 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)ccc1F ZINC000527300680 316365126 /nfs/dbraw/zinc/36/51/26/316365126.db2.gz IPTPGZLTWUBNSO-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000530648816 317159632 /nfs/dbraw/zinc/15/96/32/317159632.db2.gz JBSXEKSQFFDWNJ-UHFFFAOYSA-N -2 1 347.392 2.951 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1 ZINC000547559640 318018629 /nfs/dbraw/zinc/01/86/29/318018629.db2.gz GEFZONKUFIHYGX-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000547554696 318018701 /nfs/dbraw/zinc/01/87/01/318018701.db2.gz SXYUOTIWHLIYSR-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1F ZINC000548265328 318087214 /nfs/dbraw/zinc/08/72/14/318087214.db2.gz AGODBSJYKNKPIT-NXEZZACHSA-N -2 1 335.372 2.523 20 0 EFADML C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cc(F)ccc2F)(CC(=O)[O-])C1 ZINC000548544610 318118709 /nfs/dbraw/zinc/11/87/09/318118709.db2.gz HUIULIISGDXTSJ-ZUZCIYMTSA-N -2 1 347.383 2.524 20 0 EFADML C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cccc(F)c2F)(CC(=O)[O-])C1 ZINC000548548321 318118818 /nfs/dbraw/zinc/11/88/18/318118818.db2.gz DCVKQVVGAXWULR-BONVTDFDSA-N -2 1 347.383 2.524 20 0 EFADML CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000569333067 319370756 /nfs/dbraw/zinc/37/07/56/319370756.db2.gz PTEOBWLUXIVKOL-LKFCYVNXSA-N -2 1 343.376 2.596 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c(F)c1 ZINC000569476249 319384681 /nfs/dbraw/zinc/38/46/81/319384681.db2.gz SYCGLYOERRFDNK-WDEREUQCSA-N -2 1 349.399 2.831 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c(F)c1 ZINC000569476246 319384883 /nfs/dbraw/zinc/38/48/83/319384883.db2.gz SYCGLYOERRFDNK-GHMZBOCLSA-N -2 1 349.399 2.831 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])c(F)c1 ZINC000576816947 320051195 /nfs/dbraw/zinc/05/11/95/320051195.db2.gz QLWMQXJCZICDLP-DOMZBBRYSA-N -2 1 347.383 2.585 20 0 EFADML C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000578417420 320203603 /nfs/dbraw/zinc/20/36/03/320203603.db2.gz YDHDPXNKCKSLKL-VIFPVBQESA-N -2 1 343.376 2.740 20 0 EFADML O=C([O-])C1(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000579442647 323956946 /nfs/dbraw/zinc/95/69/46/323956946.db2.gz HPNNOZXUIATOOZ-UHFFFAOYSA-N -2 1 345.829 2.698 20 0 EFADML CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000581056090 324295008 /nfs/dbraw/zinc/29/50/08/324295008.db2.gz KLJGQJAHTPWWOD-LBPRGKRZSA-N -2 1 343.376 2.740 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1F ZINC000007405772 471611816 /nfs/dbraw/zinc/61/18/16/471611816.db2.gz PRDKUDBFWHASHB-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000013058968 471813797 /nfs/dbraw/zinc/81/37/97/471813797.db2.gz SRNLFKCONYOQPP-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000013464494 471831391 /nfs/dbraw/zinc/83/13/91/471831391.db2.gz UCHDHQFEEIKALU-UHFFFAOYSA-N -2 1 335.381 2.844 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1 ZINC000037413913 472011878 /nfs/dbraw/zinc/01/18/78/472011878.db2.gz KNXOYAHKOAHLQQ-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML N#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1 ZINC000055558117 472204929 /nfs/dbraw/zinc/20/49/29/472204929.db2.gz HUSIPIXEDXOJKE-UHFFFAOYSA-N -2 1 342.376 2.546 20 0 EFADML O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000085326865 472237551 /nfs/dbraw/zinc/23/75/51/472237551.db2.gz TZCWPDBDMUZWET-RITPCOANSA-N -2 1 344.241 2.587 20 0 EFADML Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000156254410 472683250 /nfs/dbraw/zinc/68/32/50/472683250.db2.gz LTXZYNINOVQNQL-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000063878680 472824158 /nfs/dbraw/zinc/82/41/58/472824158.db2.gz ZSOXKPWALQKKRD-UHFFFAOYSA-N -2 1 330.365 2.674 20 0 EFADML Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)ccc12 ZINC000093909530 473161220 /nfs/dbraw/zinc/16/12/20/473161220.db2.gz UHGSWYOXISTUPN-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000111278953 473203130 /nfs/dbraw/zinc/20/31/30/473203130.db2.gz ZLWGATSNNDCWGI-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)c(C)c2)ccc1[O-] ZINC000163397203 473440851 /nfs/dbraw/zinc/44/08/51/473440851.db2.gz BANNNNLKFMPNQW-UHFFFAOYSA-N -2 1 338.360 2.599 20 0 EFADML Cc1cc(C(=O)N(C)C2CCCCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151714900 473487111 /nfs/dbraw/zinc/48/71/11/473487111.db2.gz DQHPSNQKWKZNKO-UHFFFAOYSA-N -2 1 344.415 2.517 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000179174731 473646580 /nfs/dbraw/zinc/64/65/80/473646580.db2.gz VJXBHUYXJLXSGB-UHFFFAOYSA-N -2 1 344.348 2.841 20 0 EFADML O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000275358277 474157117 /nfs/dbraw/zinc/15/71/17/474157117.db2.gz XCFMUUNWVYWSDC-UHFFFAOYSA-N -2 1 335.372 2.668 20 0 EFADML CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000266800631 474487190 /nfs/dbraw/zinc/48/71/90/474487190.db2.gz AQMOHFGLMFMNKM-GXFFZTMASA-N -2 1 344.415 2.785 20 0 EFADML Cc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266894335 474520318 /nfs/dbraw/zinc/52/03/18/474520318.db2.gz NDUAUSKLRMDQQH-NQBHXWOUSA-N -2 1 342.399 2.538 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000337060997 474672460 /nfs/dbraw/zinc/67/24/60/474672460.db2.gz XJIWXIXZMOAZQO-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000315350919 474871027 /nfs/dbraw/zinc/87/10/27/474871027.db2.gz LSKSIYCMJOJYRS-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(F)c1 ZINC000315844007 474874560 /nfs/dbraw/zinc/87/45/60/474874560.db2.gz FUGQLTXEDZHATH-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000315736516 474875125 /nfs/dbraw/zinc/87/51/25/474875125.db2.gz KYNXSYKKAIDXGT-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(F)c1 ZINC000316678102 474880088 /nfs/dbraw/zinc/88/00/88/474880088.db2.gz FFAAWJXWTGAAQA-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000318220247 474889877 /nfs/dbraw/zinc/88/98/77/474889877.db2.gz VFBLVISPXXDVQU-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000318432934 474890602 /nfs/dbraw/zinc/89/06/02/474890602.db2.gz BOVCWQZVFRISJD-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000319358576 474899856 /nfs/dbraw/zinc/89/98/56/474899856.db2.gz ARIUBSYBAAHVBV-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC000339077459 474906252 /nfs/dbraw/zinc/90/62/52/474906252.db2.gz OHVLVOWHUBPTPY-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc1F ZINC000323554318 474951263 /nfs/dbraw/zinc/95/12/63/474951263.db2.gz PFZPJMKNRXBQCN-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1F ZINC000323663970 474952221 /nfs/dbraw/zinc/95/22/21/474952221.db2.gz VEEKCSSXVZQOIX-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1F ZINC000323819882 474954898 /nfs/dbraw/zinc/95/48/98/474954898.db2.gz NSXIIUWLBOXJAG-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000323860715 474957383 /nfs/dbraw/zinc/95/73/83/474957383.db2.gz REMJLFQTLWTIIE-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000324864914 474977897 /nfs/dbraw/zinc/97/78/97/474977897.db2.gz OQGJBOMAMAGPAP-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000325403686 474987831 /nfs/dbraw/zinc/98/78/31/474987831.db2.gz HUKWDLPMKIRACC-UHFFFAOYSA-N -2 1 347.392 2.951 20 0 EFADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000325811697 474994773 /nfs/dbraw/zinc/99/47/73/474994773.db2.gz PVLDVTFZXOCWFD-UHFFFAOYSA-N -2 1 342.376 2.663 20 0 EFADML O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000357896335 475241088 /nfs/dbraw/zinc/24/10/88/475241088.db2.gz NYRFKAJMXPBPBR-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000297226227 475666168 /nfs/dbraw/zinc/66/61/68/475666168.db2.gz ONKIUBUOVCKESB-MFKMUULPSA-N -2 1 347.383 2.667 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000348481273 475691325 /nfs/dbraw/zinc/69/13/25/475691325.db2.gz WGMWEHPABSEMRO-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)c(C)c1C(=O)[O-] ZINC000358497663 475726344 /nfs/dbraw/zinc/72/63/44/475726344.db2.gz RTOCGUCWXHCZCW-UHFFFAOYSA-N -2 1 347.392 2.737 20 0 EFADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000361970282 475905104 /nfs/dbraw/zinc/90/51/04/475905104.db2.gz GZZMKPKLFHKVQZ-UHFFFAOYSA-N -2 1 345.298 2.532 20 0 EFADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000336851850 476143431 /nfs/dbraw/zinc/14/34/31/476143431.db2.gz DKEWPLNFTVBLTC-UHFFFAOYSA-N -2 1 335.259 2.504 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000336852797 476143836 /nfs/dbraw/zinc/14/38/36/476143836.db2.gz YPOSECQVBBAXEL-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1Cl ZINC000336862201 476146605 /nfs/dbraw/zinc/14/66/05/476146605.db2.gz HJJFLYFTLKFZTD-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000359052592 476147813 /nfs/dbraw/zinc/14/78/13/476147813.db2.gz GGARJUIOBUWEJI-UHFFFAOYSA-N -2 1 334.378 2.795 20 0 EFADML Cn1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000336868381 476149418 /nfs/dbraw/zinc/14/94/18/476149418.db2.gz XKJNOMVEOLJTMY-UHFFFAOYSA-N -2 1 348.302 2.543 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000362306735 476157012 /nfs/dbraw/zinc/15/70/12/476157012.db2.gz TZFRMBAEPAJHFG-UHFFFAOYSA-N -2 1 335.356 2.813 20 0 EFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362309185 476159136 /nfs/dbraw/zinc/15/91/36/476159136.db2.gz OMWGTUTYHPDBPB-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000336875195 476159491 /nfs/dbraw/zinc/15/94/91/476159491.db2.gz BYTVWLKGYQHDPH-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML CO[C@@H](C)c1nc(=NC(=O)Nc2ccc([O-])c(Cl)c2)s[n-]1 ZINC000350653932 476281553 /nfs/dbraw/zinc/28/15/53/476281553.db2.gz RGTBTNWQZQPKTM-LURJTMIESA-N -2 1 328.781 2.670 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000357200335 476287575 /nfs/dbraw/zinc/28/75/75/476287575.db2.gz DSWQXIDYQWWICN-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])ccc1F ZINC000357204093 476288776 /nfs/dbraw/zinc/28/87/76/476288776.db2.gz PVYFXSKRPFPHGA-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COC(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000436509984 477498475 /nfs/dbraw/zinc/49/84/75/477498475.db2.gz CLJVBGLXMAMMAR-UHFFFAOYSA-N -2 1 339.706 2.929 20 0 EFADML O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cccc3c2CCCC3)c1 ZINC000436896157 477628314 /nfs/dbraw/zinc/62/83/14/477628314.db2.gz XFBYANUPIWPOOY-UHFFFAOYSA-N -2 1 347.392 2.770 20 0 EFADML CCc1oncc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451044984 477800145 /nfs/dbraw/zinc/80/01/45/477800145.db2.gz CJAPZOBRJQLOBK-UHFFFAOYSA-N -2 1 336.291 2.762 20 0 EFADML CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000516639910 477965055 /nfs/dbraw/zinc/96/50/55/477965055.db2.gz BWRYUHJRDZUSQH-GFCCVEGCSA-N -2 1 339.413 2.991 20 0 EFADML C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000519659273 478246833 /nfs/dbraw/zinc/24/68/33/478246833.db2.gz UGDRMHUADSXXHB-MRVPVSSYSA-N -2 1 337.800 2.647 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc3c2ccn3C)ccc1C(=O)[O-] ZINC000570832647 478458890 /nfs/dbraw/zinc/45/88/90/478458890.db2.gz UTBSKHFZNIMKIX-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])ccc1F ZINC000591796695 478632597 /nfs/dbraw/zinc/63/25/97/478632597.db2.gz KPUUNSPRTQWYJH-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000574815507 479353819 /nfs/dbraw/zinc/35/38/19/479353819.db2.gz YLBHMEMNLCUBJD-UHFFFAOYSA-N -2 1 344.191 2.664 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc(Cl)c1[O-] ZINC000574852115 479358778 /nfs/dbraw/zinc/35/87/78/479358778.db2.gz MTWRVIRUOLQYON-SNVBAGLBSA-N -2 1 341.791 2.771 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cs1 ZINC000647919064 481182064 /nfs/dbraw/zinc/18/20/64/481182064.db2.gz KQQNRMNSVBWRED-UHFFFAOYSA-N -2 1 333.774 2.606 20 0 EFADML CCOc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc(Cl)c1[O-] ZINC000653319555 481224809 /nfs/dbraw/zinc/22/48/09/481224809.db2.gz SOQCWJIQOSGPIJ-NSHDSACASA-N -2 1 341.791 2.914 20 0 EFADML CC(C)C[C@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000263047245 519352639 /nfs/dbraw/zinc/35/26/39/519352639.db2.gz AGHKHVWDDFSHLI-LLVKDONJSA-N -2 1 343.376 2.597 20 0 EFADML CCOc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc(Cl)c1[O-] ZINC000263144337 520660976 /nfs/dbraw/zinc/66/09/76/520660976.db2.gz GZNQAQQUSYNZCF-UWVGGRQHSA-N -2 1 341.791 2.770 20 0 EFADML CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000433598209 535347006 /nfs/dbraw/zinc/34/70/06/535347006.db2.gz CWUGSFSHAGLINC-UHFFFAOYSA-N -2 1 347.392 2.707 20 0 EFADML CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000211092194 535826687 /nfs/dbraw/zinc/82/66/87/535826687.db2.gz HBWLWGRJVLIRAB-SNVBAGLBSA-N -2 1 346.257 2.834 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc(C(=O)[O-])c1 ZINC000507565970 546295862 /nfs/dbraw/zinc/29/58/62/546295862.db2.gz KLCTUYPDOARFKJ-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cnc1Cl ZINC000759111906 575884804 /nfs/dbraw/zinc/88/48/04/575884804.db2.gz VJEMEEJNVVYVQF-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc2n[nH]cc21 ZINC000766329083 577136619 /nfs/dbraw/zinc/13/66/19/577136619.db2.gz IJEDKQIQOKZJAI-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000737736426 577324120 /nfs/dbraw/zinc/32/41/20/577324120.db2.gz YVSIPZPXXCQIFB-LLVKDONJSA-N -2 1 335.381 2.893 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1F ZINC000322641955 599852524 /nfs/dbraw/zinc/85/25/24/599852524.db2.gz YFTZXVZJFCVRPK-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000740143626 600104193 /nfs/dbraw/zinc/10/41/93/600104193.db2.gz IDUCJFUFXCXNFX-UHFFFAOYSA-N -2 1 346.408 2.786 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000391527323 600104925 /nfs/dbraw/zinc/10/49/25/600104925.db2.gz QWANIBIOVFFUGD-UHFFFAOYSA-N -2 1 334.397 2.560 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(C(=O)[O-])[nH]1 ZINC000738463637 600176902 /nfs/dbraw/zinc/17/69/02/600176902.db2.gz NRKKIJICPVWRFU-UHFFFAOYSA-N -2 1 328.777 2.784 20 0 EFADML Cc1ccccc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000738785853 600301207 /nfs/dbraw/zinc/30/12/07/600301207.db2.gz OFSZXVXZBRHXKD-UHFFFAOYSA-N -2 1 334.397 2.906 20 0 EFADML O=C([O-])NCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000740001907 600301213 /nfs/dbraw/zinc/30/12/13/600301213.db2.gz SZGBJWDKQGFIOW-UHFFFAOYSA-N -2 1 340.788 2.908 20 0 EFADML O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000405431397 600318959 /nfs/dbraw/zinc/31/89/59/600318959.db2.gz ZCUQWZFZDJHDLN-HNNXBMFYSA-N -2 1 325.364 2.872 20 0 EFADML O=C([O-])c1cn(CC(=O)Nc2c([O-])cccc2F)c2ccccc12 ZINC000833120107 600723385 /nfs/dbraw/zinc/72/33/85/600723385.db2.gz OHLQKRLAHIALEC-UHFFFAOYSA-N -2 1 328.299 2.823 20 0 EFADML COc1cc2nc(-c3cccc(C(=O)[O-])c3)[n-]c(=O)c2cc1OC ZINC000832111863 600845905 /nfs/dbraw/zinc/84/59/05/600845905.db2.gz NYCXSTRBNHHKEC-UHFFFAOYSA-N -2 1 326.308 2.718 20 0 EFADML O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000740075799 600886552 /nfs/dbraw/zinc/88/65/52/600886552.db2.gz PDHYXRRCAAGUFN-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccccn1 ZINC000833165707 600976321 /nfs/dbraw/zinc/97/63/21/600976321.db2.gz BSJIVWNXCIHFCP-LBPRGKRZSA-N -2 1 340.713 2.769 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C(=O)[O-])[nH]1 ZINC000738463873 601049357 /nfs/dbraw/zinc/04/93/57/601049357.db2.gz YZXIXVFESHRJIA-UHFFFAOYSA-N -2 1 326.349 2.578 20 0 EFADML O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000740136781 601120915 /nfs/dbraw/zinc/12/09/15/601120915.db2.gz XSSQYCAUWIFQGE-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000825957383 601180027 /nfs/dbraw/zinc/18/00/27/601180027.db2.gz UHPCDTCYFLXPEX-LSDHHAIUSA-N -2 1 334.368 2.572 20 0 EFADML CCc1cccc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c1 ZINC000830269667 601249696 /nfs/dbraw/zinc/24/96/96/601249696.db2.gz AXBQFFUCJMGFNE-UHFFFAOYSA-N -2 1 335.381 2.513 20 0 EFADML Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc21 ZINC000736422721 601325882 /nfs/dbraw/zinc/32/58/82/601325882.db2.gz GUGUQAKQWMBLAT-UHFFFAOYSA-N -2 1 348.355 2.816 20 0 EFADML CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000324925860 601360010 /nfs/dbraw/zinc/36/00/10/601360010.db2.gz VWMYBKUWUSLHSH-XFXZXTDPSA-N -2 1 346.408 2.651 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c(C)c1 ZINC000832950718 601384283 /nfs/dbraw/zinc/38/42/83/601384283.db2.gz WXAYEFQTFAFZOR-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1Cl ZINC000832973340 601486389 /nfs/dbraw/zinc/48/63/89/601486389.db2.gz WTAPHQAPSQWEKR-UHFFFAOYSA-N -2 1 332.790 2.604 20 0 EFADML CCCCC[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000829341362 601562822 /nfs/dbraw/zinc/56/28/22/601562822.db2.gz YBWGIGDYBTWKFE-LBPRGKRZSA-N -2 1 325.386 2.745 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000825952097 601854652 /nfs/dbraw/zinc/85/46/52/601854652.db2.gz WKVHYWNUSKCWNT-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000833334861 601856165 /nfs/dbraw/zinc/85/61/65/601856165.db2.gz IHKRBQFWANNPTR-UHFFFAOYSA-N -2 1 339.344 2.534 20 0 EFADML CCCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)[nH]n1 ZINC000829431037 602103154 /nfs/dbraw/zinc/10/31/54/602103154.db2.gz SAHIATDEHSAFNJ-UHFFFAOYSA-N -2 1 337.401 2.560 20 0 EFADML Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)[nH]nc1C1CC1 ZINC000832868064 602103763 /nfs/dbraw/zinc/10/37/63/602103763.db2.gz AVDPVSZKSMVSEP-UHFFFAOYSA-N -2 1 349.412 2.711 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cc1 ZINC000833323610 602309063 /nfs/dbraw/zinc/30/90/63/602309063.db2.gz RVZORCGJONTNJR-UHFFFAOYSA-N -2 1 349.412 2.956 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N(C)C)c1C ZINC000833747646 605087591 /nfs/dbraw/zinc/08/75/91/605087591.db2.gz CDIDSZGUXRJSJT-UHFFFAOYSA-N -2 1 348.424 2.868 20 0 EFADML O=C([O-])C1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000833766026 605168044 /nfs/dbraw/zinc/16/80/44/605168044.db2.gz CWULFVHYJSQTRH-UHFFFAOYSA-N -2 1 331.290 2.784 20 0 EFADML CCCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000844150044 1278775215 /nfs/dbraw/zinc/77/52/15/1278775215.db2.gz GWZOQOZWXOLMNY-INIZCTEOSA-N -2 1 342.395 2.608 20 0 EFADML O=C(Nc1nc(Cl)ccc1[O-])c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000790064351 1277229484 /nfs/dbraw/zinc/22/94/84/1277229484.db2.gz XHUYANSWMWCBOI-UHFFFAOYSA-N -2 1 348.771 2.630 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793349764 1279595935 /nfs/dbraw/zinc/59/59/35/1279595935.db2.gz WCDMRUAMAJIWNP-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC(C)(C)C1 ZINC001148927266 1281825214 /nfs/dbraw/zinc/82/52/14/1281825214.db2.gz KPXZLIXICFORAU-GHMZBOCLSA-N -2 1 341.429 2.584 20 0 EFADML COc1cc(C(=O)[O-])ccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001174674883 1287109555 /nfs/dbraw/zinc/10/95/55/1287109555.db2.gz PHRKQOGPTABFGX-UHFFFAOYSA-N -2 1 327.292 2.949 20 0 EFADML CC(C)C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])c1ccccn1 ZINC001180177053 1289428327 /nfs/dbraw/zinc/42/83/27/1289428327.db2.gz YYIUYJCRVXHXIQ-JTQLQIEISA-N -2 1 336.285 2.640 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2F)cc1C(=O)[O-] ZINC001184659567 1290490848 /nfs/dbraw/zinc/49/08/48/1290490848.db2.gz JLCGGVNEXVNHBO-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@H](C)O)cc1 ZINC001185906476 1290782259 /nfs/dbraw/zinc/78/22/59/1290782259.db2.gz ZVBDFNXQNLKECC-NSHDSACASA-N -2 1 335.381 2.547 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(ccn2C)c1 ZINC001185906226 1290782772 /nfs/dbraw/zinc/78/27/72/1290782772.db2.gz NYOVMFUHVVXAOC-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3cnccc3c2)ccc1F ZINC001186133342 1290868962 /nfs/dbraw/zinc/86/89/62/1290868962.db2.gz ISVQZNHTFHXJMC-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(F)ccc2F)ccc1Cl ZINC001188282786 1291364601 /nfs/dbraw/zinc/36/46/01/1291364601.db2.gz WHCNRFVKFSWUDZ-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML Cc1[nH]nc2cc(NC(=O)c3ccccc3OP(=O)([O-])[O-])ccc12 ZINC001189888919 1291924617 /nfs/dbraw/zinc/92/46/17/1291924617.db2.gz KYYZIYWOKQOLBM-UHFFFAOYSA-N -2 1 347.267 2.595 20 0 EFADML CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192034485 1292756258 /nfs/dbraw/zinc/75/62/58/1292756258.db2.gz HRAXAZLPNIXORJ-UHFFFAOYSA-N -2 1 332.592 2.664 20 0 EFADML C[C@H](O)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC001192139390 1292807285 /nfs/dbraw/zinc/80/72/85/1292807285.db2.gz RPVSUEYTORXNKL-LBPRGKRZSA-N -2 1 349.408 2.558 20 0 EFADML Cc1cc(O)cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192140887 1292807311 /nfs/dbraw/zinc/80/73/11/1292807311.db2.gz NIWMOILPFJMIKK-UHFFFAOYSA-N -2 1 335.381 2.519 20 0 EFADML O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc3occc32)cc1 ZINC001192729538 1293001643 /nfs/dbraw/zinc/00/16/43/1293001643.db2.gz REKMRIXISPHDNU-UHFFFAOYSA-N -2 1 347.348 2.697 20 0 EFADML Nc1ccccc1S(=O)(=O)[N-]c1ccc2[n-]c(=S)sc2c1 ZINC001193928222 1293480033 /nfs/dbraw/zinc/48/00/33/1293480033.db2.gz AYMNTUJEDABOSZ-UHFFFAOYSA-N -2 1 337.451 2.968 20 0 EFADML CCC(CC)COC(=O)NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001194716412 1293704346 /nfs/dbraw/zinc/70/43/46/1293704346.db2.gz FWRMEAJFNKGGBI-UHFFFAOYSA-N -2 1 341.344 2.822 20 0 EFADML CCC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198782716 1295228429 /nfs/dbraw/zinc/22/84/29/1295228429.db2.gz NOTQVSHJYSCBOD-UHFFFAOYSA-N -2 1 333.365 2.778 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2ccncc2c1 ZINC001198779584 1295248548 /nfs/dbraw/zinc/24/85/48/1295248548.db2.gz RQCGCJFOPQVFSC-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML COC(=O)c1nc2ccc(-c3ccc(F)c(C(=O)[O-])c3F)cc2[n-]1 ZINC001205095220 1313232097 /nfs/dbraw/zinc/23/20/97/1313232097.db2.gz FBAUISIXNPQVFP-UHFFFAOYSA-N -2 1 332.262 2.993 20 0 EFADML COC(=O)c1nc2cc(-c3ccc(F)c(C(=O)[O-])c3F)ccc2[n-]1 ZINC001205095220 1313232100 /nfs/dbraw/zinc/23/21/00/1313232100.db2.gz FBAUISIXNPQVFP-UHFFFAOYSA-N -2 1 332.262 2.993 20 0 EFADML O=C(Cn1c(=S)[n-]nc1-c1cccs1)[N-]OCc1ccccc1 ZINC000010319155 1300977133 /nfs/dbraw/zinc/97/71/33/1300977133.db2.gz BMRJNCHBWORVCL-UHFFFAOYSA-N -2 1 346.437 2.917 20 0 EFADML O=S(=O)([N-]c1ccc(Br)cc1[S-])c1cccnc1 ZINC001259608389 1316260792 /nfs/dbraw/zinc/26/07/92/1316260792.db2.gz ILMFOTCAOCLEPG-UHFFFAOYSA-N -2 1 345.243 2.934 20 0 EFADML COc1ccc(C(=O)[O-])cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001210254675 1314302830 /nfs/dbraw/zinc/30/28/30/1314302830.db2.gz RTEDMFSYNDTQOF-UHFFFAOYSA-N -2 1 327.292 2.949 20 0 EFADML O=S(=O)([O-])c1cccc(-c2ccc(OC(F)(F)F)cc2[O-])n1 ZINC001244465591 1314383509 /nfs/dbraw/zinc/38/35/09/1314383509.db2.gz ZFWVZGYRQYOCCH-UHFFFAOYSA-N -2 1 335.259 2.600 20 0 EFADML CC1(C)CCC[C@@H](CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)O1 ZINC000901633262 1310790359 /nfs/dbraw/zinc/79/03/59/1310790359.db2.gz ATIXTMXKXIRCTH-NSHDSACASA-N -2 1 345.392 2.613 20 0 EFADML COc1ncc(-c2ccc([S-])c(C)c2F)cc1[N-]S(C)(=O)=O ZINC001244796454 1314414703 /nfs/dbraw/zinc/41/47/03/1314414703.db2.gz XDPAJWVZGRLJRV-UHFFFAOYSA-N -2 1 342.417 2.865 20 0 EFADML CCOc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc(Cl)c1[O-] ZINC000902172826 1311506645 /nfs/dbraw/zinc/50/66/45/1311506645.db2.gz FMWASVKAVGFEPA-MWLCHTKSSA-N -2 1 341.791 2.627 20 0 EFADML C[C@H](Oc1nc2ncnc-2c([S-])[n-]1)c1cc(Br)no1 ZINC001226781578 1311722279 /nfs/dbraw/zinc/72/22/79/1311722279.db2.gz KBLIVVVIFYNUEW-BYPYZUCNSA-N -2 1 342.178 2.532 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001213628044 1314584214 /nfs/dbraw/zinc/58/42/14/1314584214.db2.gz VNFXYDYKYRALNH-UHFFFAOYSA-N -2 1 349.408 2.947 20 0 EFADML CCOC(=O)c1nc(C)oc1[N-]c1c(F)cc(C(=O)[O-])cc1F ZINC001215613681 1314857030 /nfs/dbraw/zinc/85/70/30/1314857030.db2.gz QNRIKUURTSUNHE-UHFFFAOYSA-N -2 1 326.255 2.880 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2ccc(C(=O)[O-])cc2Cl)c1 ZINC001248557343 1314944180 /nfs/dbraw/zinc/94/41/80/1314944180.db2.gz MRHVPVXCRZZQMR-UHFFFAOYSA-N -2 1 341.772 2.891 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(O)cc(Cl)c2)c1 ZINC001260189960 1316322055 /nfs/dbraw/zinc/32/20/55/1316322055.db2.gz RPSJWNKBFFOUIU-UHFFFAOYSA-N -2 1 327.745 2.545 20 0 EFADML Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228413 1316324680 /nfs/dbraw/zinc/32/46/80/1316324680.db2.gz XRAXYMOSECVADX-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccc2)cc1 ZINC001260228032 1316324775 /nfs/dbraw/zinc/32/47/75/1316324775.db2.gz UFRDYPFECLMPTN-UHFFFAOYSA-N -2 1 342.376 2.976 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ncc(F)cc23)cc1 ZINC001260228777 1316324855 /nfs/dbraw/zinc/32/48/55/1316324855.db2.gz XVTCQFYDNVSDEJ-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3cccccc-3c2)ccc1O ZINC001260393646 1316336905 /nfs/dbraw/zinc/33/69/05/1316336905.db2.gz RQZHYUYMEMLBQW-UHFFFAOYSA-N -2 1 343.360 2.996 20 0 EFADML CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ncccc1[O-] ZINC001321483766 1329390275 /nfs/dbraw/zinc/39/02/75/1329390275.db2.gz JXRLJLLZCLPRMD-UHFFFAOYSA-N -2 1 344.396 2.550 20 0 EFADML Cc1nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C(=O)[O-])c3)cc2o1 ZINC001322049751 1329424896 /nfs/dbraw/zinc/42/48/96/1329424896.db2.gz SIYRLMUYFWTNNM-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(-n2cccc2)cc1 ZINC000823294448 1428759428 /nfs/dbraw/zinc/75/94/28/1428759428.db2.gz AUZFZZXYQOQOQT-UHFFFAOYSA-N -2 1 346.350 2.615 20 0 EFADML O=C([O-])[C@@H]1C[C@H]2[C@H](NC(=O)c3ccc(C(F)(F)F)cc3[O-])C[C@@H]2C1 ZINC001551452282 1414078561 /nfs/dbraw/zinc/07/85/61/1414078561.db2.gz ZGVWSDCXPAGSDL-LDDIKCJXSA-N -2 1 343.301 2.640 20 0 EFADML O=C(Nc1ccccc1-c1nn[n-]n1)c1cc2cccc(O)c2cc1[O-] ZINC001149651400 1428945361 /nfs/dbraw/zinc/94/53/61/1428945361.db2.gz LFOKNMPJLPTUSY-UHFFFAOYSA-N -2 1 347.334 2.683 20 0 EFADML O=C(Nc1ccccc1-c1nnn[n-]1)c1cc2cccc(O)c2cc1[O-] ZINC001149651400 1428945365 /nfs/dbraw/zinc/94/53/65/1428945365.db2.gz LFOKNMPJLPTUSY-UHFFFAOYSA-N -2 1 347.334 2.683 20 0 EFADML Cc1ccc(SCC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000822267498 1429257536 /nfs/dbraw/zinc/25/75/36/1429257536.db2.gz XEAUTDZLFKVPEM-UHFFFAOYSA-N -2 1 341.396 2.612 20 0 EFADML O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(Cl)c1[O-] ZINC000826402326 1429604370 /nfs/dbraw/zinc/60/43/70/1429604370.db2.gz RAXVOFHALWYZRK-CMDGGOBGSA-N -2 1 341.758 2.878 20 0 EFADML Cc1ccc2cccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])c2n1 ZINC000826295177 1429608989 /nfs/dbraw/zinc/60/89/89/1429608989.db2.gz VDYUDEHWJSRZEV-UHFFFAOYSA-N -2 1 346.350 2.681 20 0 EFADML Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c2ccccc2n1 ZINC000826260516 1424558525 /nfs/dbraw/zinc/55/85/25/1424558525.db2.gz RPIHOQYTYPORNT-UHFFFAOYSA-N -2 1 346.350 2.681 20 0 EFADML Cc1ccc(C=CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000826285736 1425563066 /nfs/dbraw/zinc/56/30/66/1425563066.db2.gz IHXTYIPVELAMPH-NSCUHMNNSA-N -2 1 335.367 2.923 20 0 EFADML CSc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826231337 1426386684 /nfs/dbraw/zinc/38/66/84/1426386684.db2.gz HDMTZWLRCNHAKI-UHFFFAOYSA-N -2 1 333.398 2.608 20 0 EFADML O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826492364 1426718213 /nfs/dbraw/zinc/71/82/13/1426718213.db2.gz HDRBIDYJHCVSNC-UHFFFAOYSA-N -2 1 341.396 2.545 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2-c2nnn[n-]2)sc1C ZINC000826272587 1427556286 /nfs/dbraw/zinc/55/62/86/1427556286.db2.gz RBOCBDUYRMECKS-UHFFFAOYSA-N -2 1 349.441 2.654 20 0 EFADML Cc1c(NC(=O)CC2(C(=O)[O-])CCCCC2)cccc1-c1nnn[n-]1 ZINC000822068375 1430132178 /nfs/dbraw/zinc/13/21/78/1430132178.db2.gz PXQVWUWWMWXXNZ-UHFFFAOYSA-N -2 1 343.387 2.539 20 0 EFADML CCc1csc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821499432 1442209421 /nfs/dbraw/zinc/20/94/21/1442209421.db2.gz JUBWPKLJYUIEIM-VIFPVBQESA-N -2 1 343.416 2.768 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000823386988 1442231719 /nfs/dbraw/zinc/23/17/19/1442231719.db2.gz AISFMXDUEVSONG-YDFGWWAZSA-N -2 1 325.353 2.591 20 0 EFADML O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1[O-] ZINC000826454014 1443375654 /nfs/dbraw/zinc/37/56/54/1443375654.db2.gz HBUUZUDXUWNEIC-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]c1nc2ccsc2s1 ZINC000737955798 1443835396 /nfs/dbraw/zinc/83/53/96/1443835396.db2.gz MEWORJLKPCBFBC-UHFFFAOYSA-N -2 1 342.409 2.719 20 0 EFADML CC(C)c1nc(C=Cc2ccc(-c3nnn[n-]3)cc2)ncc1C(=O)[O-] ZINC000735938742 1443851957 /nfs/dbraw/zinc/85/19/57/1443851957.db2.gz BXAYAQHWRAZJJO-YVMONPNESA-N -2 1 336.355 2.649 20 0 EFADML C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccc(F)c1 ZINC000820225997 1446402669 /nfs/dbraw/zinc/40/26/69/1446402669.db2.gz RLBDCVSULVSSKY-SNVBAGLBSA-N -2 1 341.346 2.844 20 0 EFADML Cc1ccc(C(C)(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000826282430 1447075991 /nfs/dbraw/zinc/07/59/91/1447075991.db2.gz OPFMCGAQRHTABO-UHFFFAOYSA-N -2 1 337.383 2.797 20 0 EFADML C[C@@]1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])CCc2ccccc2C1 ZINC000824784548 1449443717 /nfs/dbraw/zinc/44/37/17/1449443717.db2.gz WHFUSNABXOZMMM-LJQANCHMSA-N -2 1 349.394 2.706 20 0 EFADML O=C([O-])c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000826462442 1449688722 /nfs/dbraw/zinc/68/87/22/1449688722.db2.gz YLBHKZOTVKQIPG-HYXAFXHYSA-N -2 1 327.731 2.784 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(C)c1 ZINC000826291418 1449907630 /nfs/dbraw/zinc/90/76/30/1449907630.db2.gz FGPNWOUSWXPJRR-UHFFFAOYSA-N -2 1 343.412 2.593 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c(C)c1 ZINC000826291418 1449907636 /nfs/dbraw/zinc/90/76/36/1449907636.db2.gz FGPNWOUSWXPJRR-UHFFFAOYSA-N -2 1 343.412 2.593 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1C(F)(F)F ZINC000826451131 1450141212 /nfs/dbraw/zinc/14/12/12/1450141212.db2.gz REIGGXBRNRHVAB-UHFFFAOYSA-N -2 1 349.272 2.843 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC)cc1 ZINC000326555364 715069324 /nfs/dbraw/zinc/06/93/24/715069324.db2.gz XOBBPTYYPJOXGS-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1 ZINC000326555355 715069356 /nfs/dbraw/zinc/06/93/56/715069356.db2.gz XNRXDANUEVSYGP-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML CCOc1cc(C(=O)N(CCC(=O)[O-])C2CC2)cc(Cl)c1[O-] ZINC000908872168 727274687 /nfs/dbraw/zinc/27/46/87/727274687.db2.gz WNFBCKWNTJJIIA-UHFFFAOYSA-N -2 1 327.764 2.524 20 0 EFADML CCOc1cc(C(=O)N(CCC(=O)[O-])CC2CC2)cc(Cl)c1[O-] ZINC000908878405 727279967 /nfs/dbraw/zinc/27/99/67/727279967.db2.gz SSNQFBBKGWUZOU-UHFFFAOYSA-N -2 1 341.791 2.771 20 0 EFADML CCOc1cc(C(=O)N(CC(=O)[O-])CC(C)C)cc(Cl)c1[O-] ZINC000908882147 727280727 /nfs/dbraw/zinc/28/07/27/727280727.db2.gz JIIWCASIPXJYIF-UHFFFAOYSA-N -2 1 329.780 2.627 20 0 EFADML CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000909700908 727364291 /nfs/dbraw/zinc/36/42/91/727364291.db2.gz PTDBCMXIZZHFPT-SFHVURJKSA-N -2 1 328.368 2.513 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])cc(Cl)c1[O-] ZINC000909740954 727372119 /nfs/dbraw/zinc/37/21/19/727372119.db2.gz VGJZTUVEIZGQMG-JTQLQIEISA-N -2 1 327.764 2.524 20 0 EFADML COc1cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc(Cl)c1[O-] ZINC000909875318 727391112 /nfs/dbraw/zinc/39/11/12/727391112.db2.gz WIWDXVSUPJYRLP-JTQLQIEISA-N -2 1 329.780 2.673 20 0 EFADML Cc1nc(-c2ccc(N(CCC(=O)[O-])CC(C)C)nc2)[n-]c(=O)c1C ZINC000910404357 727437018 /nfs/dbraw/zinc/43/70/18/727437018.db2.gz GKWRPYRVQYHNTP-UHFFFAOYSA-N -2 1 344.415 2.798 20 0 EFADML CCCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)[C@H](C)C(=O)[O-] ZINC000911716501 727586799 /nfs/dbraw/zinc/58/67/99/727586799.db2.gz JXKPVSKRYVTTTC-SECBINFHSA-N -2 1 329.780 2.770 20 0 EFADML CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231726451 728634531 /nfs/dbraw/zinc/63/45/31/728634531.db2.gz QOEDSLSMNNKAOA-ZCFIWIBFSA-N -2 1 344.191 2.522 20 0 EFADML CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231726448 728634663 /nfs/dbraw/zinc/63/46/63/728634663.db2.gz QOEDSLSMNNKAOA-LURJTMIESA-N -2 1 344.191 2.522 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000321825365 970813299 /nfs/dbraw/zinc/81/32/99/970813299.db2.gz DRENOKJSUQLSNX-UHFFFAOYSA-N -2 1 331.393 2.912 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)ccc1C#N ZINC000326763740 971326150 /nfs/dbraw/zinc/32/61/50/971326150.db2.gz OUAVSMGLLROULV-UHFFFAOYSA-N -2 1 344.392 2.685 20 0 EFADML O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC001595182681 952255299 /nfs/dbraw/zinc/25/52/99/952255299.db2.gz YCNLDBUMTIZORC-RNFRBKRXSA-N -2 1 348.580 2.857 20 0 EFADML CC[C@H](C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000837289158 955565155 /nfs/dbraw/zinc/56/51/55/955565155.db2.gz VOMMRQGLSNSOEN-MRVPVSSYSA-N -2 1 347.845 2.944 20 0 EFADML Cc1nc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2o1 ZINC000013079324 956931210 /nfs/dbraw/zinc/93/12/10/956931210.db2.gz KSEPAXJLJLOXNH-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML O=C([O-])CC1([N-]S(=O)(=O)c2sccc2Cl)CCCCC1 ZINC000905195407 956966721 /nfs/dbraw/zinc/96/67/21/956966721.db2.gz NQQAMPSYIUJXFX-UHFFFAOYSA-N -2 1 337.850 2.857 20 0 EFADML O=C([O-])CC1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCCC1 ZINC000905193591 956967403 /nfs/dbraw/zinc/96/74/03/956967403.db2.gz CHTHHTPSPMFMMP-UHFFFAOYSA-N -2 1 337.344 2.673 20 0 EFADML O=C([O-])c1ccccc1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001574815096 957884051 /nfs/dbraw/zinc/88/40/51/957884051.db2.gz JULCKSYLJUBNIU-UHFFFAOYSA-N -2 1 337.331 2.879 20 0 EFADML O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1F ZINC000391710086 972358966 /nfs/dbraw/zinc/35/89/66/972358966.db2.gz KKNBCFBDUQALMS-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001573355603 958576308 /nfs/dbraw/zinc/57/63/08/958576308.db2.gz FRQQKBQLPZUPPR-UHFFFAOYSA-N -2 1 328.324 2.610 20 0 EFADML CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC001588627371 959591504 /nfs/dbraw/zinc/59/15/04/959591504.db2.gz NQFOKVXIKAIHCF-UHFFFAOYSA-N -2 1 339.351 2.814 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000231768591 960205100 /nfs/dbraw/zinc/20/51/00/960205100.db2.gz GAUOQDHIOPWIOF-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000231768664 960205294 /nfs/dbraw/zinc/20/52/94/960205294.db2.gz FJWBFANUTNDWKD-UHFFFAOYSA-N -2 1 347.179 2.887 20 0 EFADML Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184068 960695569 /nfs/dbraw/zinc/69/55/69/960695569.db2.gz QKTRGSIQIBYQMK-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML O=C([O-])c1ccc(CCNC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001571216497 962507756 /nfs/dbraw/zinc/50/77/56/962507756.db2.gz UDGZAQOTKSYEGW-UHFFFAOYSA-N -2 1 333.771 2.645 20 0 EFADML C[C@](CC(=O)[O-])(NC(=O)c1cc(Cl)ccc1[O-])c1ccncc1 ZINC001571227979 962603956 /nfs/dbraw/zinc/60/39/56/962603956.db2.gz GSJTUQJFKDADSK-MRXNPFEDSA-N -2 1 334.759 2.561 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000823825936 969204920 /nfs/dbraw/zinc/20/49/20/969204920.db2.gz YJZGUTDJBOVWDJ-LLVKDONJSA-N -2 1 337.420 2.623 20 0 EFADML O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000317878886 970393399 /nfs/dbraw/zinc/39/33/99/970393399.db2.gz MQJHFPJKSNYCQI-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000319997344 970598943 /nfs/dbraw/zinc/59/89/43/970598943.db2.gz MBXGMZAOAROYAG-AWEZNQCLSA-N -2 1 331.755 2.697 20 0 EFADML O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000319997347 970599361 /nfs/dbraw/zinc/59/93/61/970599361.db2.gz MBXGMZAOAROYAG-CQSZACIVSA-N -2 1 331.755 2.697 20 0 EFADML O=C([O-])[C@@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC=CCC1 ZINC001605934243 972862400 /nfs/dbraw/zinc/86/24/00/972862400.db2.gz CLUNFCPQUKHYDK-KRWDZBQOSA-N -2 1 327.340 2.532 20 0 EFADML C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]1C(=O)[O-] ZINC001603409033 973081069 /nfs/dbraw/zinc/08/10/69/973081069.db2.gz FUKNPTBZGIJFKU-UFBFGSQYSA-N -2 1 331.290 2.736 20 0 EFADML O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001606086380 973247907 /nfs/dbraw/zinc/24/79/07/973247907.db2.gz KKSOTIZOKHFCOK-LBPRGKRZSA-N -2 1 329.352 2.720 20 0 EFADML CC(C)Oc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)c(C(=O)[O-])c1 ZINC001591780196 975943417 /nfs/dbraw/zinc/94/34/17/975943417.db2.gz FMAZCDZEFFJWDB-UHFFFAOYSA-N -2 1 343.335 2.699 20 0 EFADML O=C([O-])Cc1c[n-]n(-c2cc(Cl)ccc2Br)c1=O ZINC000723464096 978210814 /nfs/dbraw/zinc/21/08/14/978210814.db2.gz KFSTZBISGBXZMA-LURJTMIESA-N -2 1 331.553 2.526 20 0 EFADML CC[C@](CNC(=O)c1ccc(F)c([O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595160601 979686495 /nfs/dbraw/zinc/68/64/95/979686495.db2.gz NUECUAMIJGXXBV-GOSISDBHSA-N -2 1 331.343 2.694 20 0 EFADML CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)[nH]n1 ZINC001595578665 981502235 /nfs/dbraw/zinc/50/22/35/981502235.db2.gz GQLSHMWNVPFQFB-MRVPVSSYSA-N -2 1 341.389 2.714 20 0 EFADML CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Br)cc1[O-] ZINC001594821778 981972579 /nfs/dbraw/zinc/97/25/79/981972579.db2.gz JQNDGRBYJSLDNU-ZDUSSCGKSA-N -2 1 330.178 2.528 20 0 EFADML CCCCC[C@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)[O-] ZINC001595681267 982160687 /nfs/dbraw/zinc/16/06/87/982160687.db2.gz MTYJOICPYVLHQC-NSHDSACASA-N -2 1 344.205 2.918 20 0 EFADML CC[C@H](C)C[C@@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)[O-] ZINC001594944835 982628494 /nfs/dbraw/zinc/62/84/94/982628494.db2.gz JKGGDEKRIPLQOS-JOYOIKCWSA-N -2 1 334.347 2.699 20 0 EFADML C[C@H]1CC[C@@]([N-]S(=O)(=O)c2sccc2Cl)(C(=O)[O-])CC1 ZINC001599908851 984958434 /nfs/dbraw/zinc/95/84/34/984958434.db2.gz HPCSQIPPACZDAC-ITWVYHRLSA-N -2 1 337.850 2.713 20 0 EFADML C[C@H]1CC[C@@]([N-]S(=O)(=O)c2cc(Cl)ccc2F)(C(=O)[O-])CC1 ZINC001599909750 984969537 /nfs/dbraw/zinc/96/95/37/984969537.db2.gz VGWOTZZWFJHOOH-KMHCFJFGSA-N -2 1 349.811 2.791 20 0 EFADML Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2ccc([O-])cc2F)c(C)c1C(=O)[O-] ZINC001599948320 985567086 /nfs/dbraw/zinc/56/70/86/985567086.db2.gz MMRJMMDYYGARPT-VIFPVBQESA-N -2 1 349.314 2.603 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001589291102 986035545 /nfs/dbraw/zinc/03/55/45/986035545.db2.gz RCHRZIMTFAZKTJ-UHFFFAOYSA-N -2 1 342.347 2.621 20 0 EFADML CCOc1cc(C(=O)NCc2cc(C(=O)[O-])co2)cc(Cl)c1[O-] ZINC001597005719 986329385 /nfs/dbraw/zinc/32/93/85/986329385.db2.gz ZAWQPJXUHUJMKB-UHFFFAOYSA-N -2 1 339.731 2.666 20 0 EFADML CC(C)(C)OC(=O)CN(CCC(=O)[O-])Cc1cccc([O-])c1Cl ZINC001589892080 988584857 /nfs/dbraw/zinc/58/48/57/988584857.db2.gz QIVNZZRZYVVEQS-UHFFFAOYSA-N -2 1 343.807 2.664 20 0 EFADML CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 ZINC001597790708 989313661 /nfs/dbraw/zinc/31/36/61/989313661.db2.gz HDPHKTJUDKGMHU-UHFFFAOYSA-N -2 1 349.368 2.526 20 0 EFADML CN(C(=O)c1cc2ccccc2cc1[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001598081883 990397463 /nfs/dbraw/zinc/39/74/63/990397463.db2.gz GHUHHHCWFUMWAV-MRXNPFEDSA-N -2 1 343.379 2.640 20 0 EFADML C[C@@](NC(=O)c1cc(Cl)ccc1[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001593156984 993981682 /nfs/dbraw/zinc/98/16/82/993981682.db2.gz ZTNOTKWKVGYGKL-INIZCTEOSA-N -2 1 337.734 2.915 20 0 EFADML C[C@H](NC(=O)c1cccc([O-])c1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593175509 994046511 /nfs/dbraw/zinc/04/65/11/994046511.db2.gz ORVOHPSRHZUXQE-FZMZJTMJSA-N -2 1 331.343 2.593 20 0 EFADML COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc(F)ccc2[O-])c1 ZINC001599653517 994541610 /nfs/dbraw/zinc/54/16/10/994541610.db2.gz KTIITMXUNRLSHX-GOSISDBHSA-N -2 1 347.342 2.660 20 0 EFADML COCc1cc([N-]S(=O)(=O)c2cccc(C)c2)cc(C(=O)[O-])c1 ZINC001599289106 997031349 /nfs/dbraw/zinc/03/13/49/997031349.db2.gz DEBZHZMNHDMMEA-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML COc1ccc([C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C(=O)[O-])cc1 ZINC001599518331 997432800 /nfs/dbraw/zinc/43/28/00/997432800.db2.gz HEGYNIOHECQRPR-INIZCTEOSA-N -2 1 349.770 2.539 20 0 EFADML COC(=O)c1c[n-]c(SCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001598917639 997503484 /nfs/dbraw/zinc/50/34/84/997503484.db2.gz SRTIIEDIHKOGNU-UHFFFAOYSA-N -2 1 326.761 2.840 20 0 EFADML C[C@]1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)CC1(Cl)Cl ZINC001594038828 997643735 /nfs/dbraw/zinc/64/37/35/997643735.db2.gz GKYWAMXEEUTHRM-SECBINFHSA-N -2 1 344.241 2.772 20 0 EFADML C[C@]1(NC(=O)c2c([O-])cnc3c(F)cccc32)CCCC[C@H]1C(=O)[O-] ZINC001594055763 997790184 /nfs/dbraw/zinc/79/01/84/997790184.db2.gz IFULWZJBVDGLKV-VOJFVSQTSA-N -2 1 346.358 2.843 20 0 EFADML C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001594365410 999380586 /nfs/dbraw/zinc/38/05/86/999380586.db2.gz DXRSAUPBYMNDGW-IUCAKERBSA-N -2 1 335.809 2.736 20 0 EFADML O=C([O-])c1ccnc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)c1 ZINC001593283967 1094265775 /nfs/dbraw/zinc/26/57/75/1094265775.db2.gz TWYVWTXRDFWEGD-IWQZZHSRSA-N -2 1 345.721 2.923 20 0 EFADML O=C([O-])c1ccnc(C=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)c1 ZINC001593283967 1094265780 /nfs/dbraw/zinc/26/57/80/1094265780.db2.gz TWYVWTXRDFWEGD-IWQZZHSRSA-N -2 1 345.721 2.923 20 0 EFADML C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001594343752 1094425612 /nfs/dbraw/zinc/42/56/12/1094425612.db2.gz PYINMXRQVJEYRG-VROVMSAKSA-N -2 1 335.809 2.734 20 0 EFADML C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001594343758 1094425667 /nfs/dbraw/zinc/42/56/67/1094425667.db2.gz QAHILKHDTFLLCA-QRJZZWFUSA-N -2 1 347.383 2.766 20 0 EFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC001600022727 1094727010 /nfs/dbraw/zinc/72/70/10/1094727010.db2.gz MALFVZSJUASUEF-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML Cc1cc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)oc1C(=O)[O-] ZINC001600199032 1094869861 /nfs/dbraw/zinc/86/98/61/1094869861.db2.gz UXEFDLQSMCLIKU-UHFFFAOYSA-N -2 1 345.248 2.973 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@]2(C)CCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC001600228017 1094902258 /nfs/dbraw/zinc/90/22/58/1094902258.db2.gz AVQRWCLISKRCMZ-MEBBXXQBSA-N -2 1 347.383 2.585 20 0 EFADML Cc1ccc(CS(=O)(=O)[N-]c2sccc2C(=O)[O-])c(F)c1 ZINC001600421847 1095054973 /nfs/dbraw/zinc/05/49/73/1095054973.db2.gz IRNVHLNYCNDIOQ-UHFFFAOYSA-N -2 1 329.374 2.836 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1C(=O)[O-] ZINC001600551043 1095156771 /nfs/dbraw/zinc/15/67/71/1095156771.db2.gz OFQKIZPBHIGZTO-UHFFFAOYSA-N -2 1 331.393 2.983 20 0 EFADML Cc1cnc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c([O-])c1 ZINC001600615959 1095213297 /nfs/dbraw/zinc/21/32/97/1095213297.db2.gz DUIUNXVOKZLCRS-INIZCTEOSA-N -2 1 336.347 2.805 20 0 EFADML Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])ccc2o1 ZINC001600726869 1095292340 /nfs/dbraw/zinc/29/23/40/1095292340.db2.gz ZSIBYZSVFUBCAR-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001600910307 1095422297 /nfs/dbraw/zinc/42/22/97/1095422297.db2.gz GNPOUPNZTWFDLC-CQSZACIVSA-N -2 1 346.358 2.935 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1ccsc1 ZINC001601406136 1095661231 /nfs/dbraw/zinc/66/12/31/1095661231.db2.gz POWUIAKPQBQNSN-AWEZNQCLSA-N -2 1 343.360 2.868 20 0 EFADML O=C([O-])[C@@H](CC1CCOCC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001601414346 1095666528 /nfs/dbraw/zinc/66/65/28/1095666528.db2.gz WZELKZDHKGKDTF-MRXNPFEDSA-N -2 1 343.379 2.545 20 0 EFADML O=C([O-])[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC001601459408 1095685922 /nfs/dbraw/zinc/68/59/22/1095685922.db2.gz UFPFZJKHKCBKIA-ZDUSSCGKSA-N -2 1 337.734 2.783 20 0 EFADML O=C([O-])[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])CC1CC1 ZINC001601458703 1095685962 /nfs/dbraw/zinc/68/59/62/1095685962.db2.gz NAIKCJURXFWVHR-SECBINFHSA-N -2 1 331.290 2.642 20 0 EFADML O=C([O-])[C@H](CNC(=O)c1ncc2ccccc2c1[O-])CC1CCCC1 ZINC001601460519 1095687198 /nfs/dbraw/zinc/68/71/98/1095687198.db2.gz ICKZKJBDHSBBCC-AWEZNQCLSA-N -2 1 342.395 2.951 20 0 EFADML O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Cl)ccc1[O-] ZINC001601565610 1095733265 /nfs/dbraw/zinc/73/32/65/1095733265.db2.gz DTJFSUBZOHHDFA-ZDUSSCGKSA-N -2 1 337.734 2.610 20 0 EFADML O=C([O-])c1cc(NC(=O)C(=O)c2ccc([O-])cc2)cc(F)c1Cl ZINC001601589736 1095747084 /nfs/dbraw/zinc/74/70/84/1095747084.db2.gz JLRFYFZPDRPTRA-UHFFFAOYSA-N -2 1 337.690 2.704 20 0 EFADML O=C([O-])[C@@H](Cc1ccc(F)cc1)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC001601659656 1095790330 /nfs/dbraw/zinc/79/03/30/1095790330.db2.gz RLGLWYQXWAPFMQ-CYBMUJFWSA-N -2 1 334.372 2.987 20 0 EFADML O=C([O-])/C=C\c1ccc(OCCOC(=O)c2ccc([O-])cc2F)cc1 ZINC001601880769 1095953219 /nfs/dbraw/zinc/95/32/19/1095953219.db2.gz AZAQECZGOGZUGD-BAQGIRSFSA-N -2 1 346.310 2.865 20 0 EFADML O=C([O-])CC1CC(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001601944330 1095985601 /nfs/dbraw/zinc/98/56/01/1095985601.db2.gz CYKGJRMROVCCTL-UHFFFAOYSA-N -2 1 334.759 2.577 20 0 EFADML O=C([O-])CC1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001601956955 1095992709 /nfs/dbraw/zinc/99/27/09/1095992709.db2.gz CRJLKMJSADQBMM-UHFFFAOYSA-N -2 1 331.290 2.738 20 0 EFADML O=C([O-])CCN(Cc1ccncc1)C(=O)c1cc(Cl)ccc1[O-] ZINC001602008944 1096021452 /nfs/dbraw/zinc/02/14/52/1096021452.db2.gz ADXMAMOPHOXUCU-UHFFFAOYSA-N -2 1 334.759 2.558 20 0 EFADML O=C([O-])CN(Cc1ccc(C(=O)[O-])cc1Br)C1CCC1 ZINC001602058232 1096045945 /nfs/dbraw/zinc/04/59/45/1096045945.db2.gz OMXNZKRPABVFJU-UHFFFAOYSA-N -2 1 342.189 2.586 20 0 EFADML O=C([O-])COc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC001602089608 1096055586 /nfs/dbraw/zinc/05/55/86/1096055586.db2.gz BMOUPAVHDJSFIU-UHFFFAOYSA-N -2 1 330.271 2.712 20 0 EFADML O=C([O-])COc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1Cl ZINC001602087759 1096056042 /nfs/dbraw/zinc/05/60/42/1096056042.db2.gz ZZNUQRQXTVJAHP-UHFFFAOYSA-N -2 1 339.706 2.900 20 0 EFADML O=C([O-])Cc1c2ccccc2[nH]c1C(=O)Nc1cccc(F)c1[O-] ZINC001602118176 1096073868 /nfs/dbraw/zinc/07/38/68/1096073868.db2.gz WBTAGHYJAUUPST-UHFFFAOYSA-N -2 1 328.299 2.892 20 0 EFADML O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cc(F)ccc1[O-] ZINC001602174672 1096102146 /nfs/dbraw/zinc/10/21/46/1096102146.db2.gz NKQHKMPVZOYHFI-GJZGRUSLSA-N -2 1 329.327 2.962 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC001602274198 1096155386 /nfs/dbraw/zinc/15/53/86/1096155386.db2.gz JTZUVZVLDJZXQW-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)cc(Cl)c1F ZINC001602287809 1096162872 /nfs/dbraw/zinc/16/28/72/1096162872.db2.gz DKPVIPJPWFZCBK-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1ccc(CNC(=O)c2ncc3ccccc3c2[O-])s1 ZINC001602346507 1096195157 /nfs/dbraw/zinc/19/51/57/1096195157.db2.gz AFLPJWBAXVUPCC-UHFFFAOYSA-N -2 1 328.349 2.630 20 0 EFADML O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1 ZINC001602357642 1096202258 /nfs/dbraw/zinc/20/22/58/1096202258.db2.gz SOECVIRSGVGVPX-UHFFFAOYSA-N -2 1 349.412 2.707 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)nc1 ZINC001602384293 1096218168 /nfs/dbraw/zinc/21/81/68/1096218168.db2.gz JNTIQXXJRALWDQ-BQYQJAHWSA-N -2 1 338.772 2.846 20 0 EFADML O=C([O-])c1ccc2[nH]c(CNC(=O)c3c([O-])cccc3Cl)nc2c1 ZINC001602406880 1096227094 /nfs/dbraw/zinc/22/70/94/1096227094.db2.gz RYBPSGDPGHDMBW-UHFFFAOYSA-N -2 1 345.742 2.550 20 0 EFADML O=C([O-])c1ccc2[nH]c(CSc3nc(C4CC4)cc(=O)[n-]3)nc2c1 ZINC001602409069 1096227678 /nfs/dbraw/zinc/22/76/78/1096227678.db2.gz SOSHCMXYZXADOI-UHFFFAOYSA-N -2 1 342.380 2.926 20 0 EFADML O=C([O-])c1ccc2ccccc2c1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC001602428519 1096239771 /nfs/dbraw/zinc/23/97/71/1096239771.db2.gz UTMBGQDYXUEUQG-CYBMUJFWSA-N -2 1 349.408 2.849 20 0 EFADML O=C([O-])c1cccc2c1CCN(C(=O)c1c([O-])cccc1Cl)C2 ZINC001602456193 1096253680 /nfs/dbraw/zinc/25/36/80/1096253680.db2.gz HZRUOLNUDRZVHY-UHFFFAOYSA-N -2 1 331.755 2.942 20 0 EFADML O=C([O-])c1coc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001602554204 1096296073 /nfs/dbraw/zinc/29/60/73/1096296073.db2.gz AJHWFYPBVBCTAQ-UHFFFAOYSA-N -2 1 329.230 2.632 20 0 EFADML O=C([O-])c1sccc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC001602598059 1096315186 /nfs/dbraw/zinc/31/51/86/1096315186.db2.gz XEDIHLVVEUZMCS-UHFFFAOYSA-N -2 1 333.774 2.606 20 0 EFADML O=C([O-])c1ccc(COC(=O)c2ccc(Br)c([O-])c2)o1 ZINC001602616671 1096327361 /nfs/dbraw/zinc/32/73/61/1096327361.db2.gz AMCZJCDWKKVVMC-UHFFFAOYSA-N -2 1 341.113 2.803 20 0 EFADML O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC001602622444 1096330862 /nfs/dbraw/zinc/33/08/62/1096330862.db2.gz RARRUPUZVKCERI-GOSISDBHSA-N -2 1 347.317 2.539 20 0 EFADML O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC001602622445 1096331091 /nfs/dbraw/zinc/33/10/91/1096331091.db2.gz RARRUPUZVKCERI-SFHVURJKSA-N -2 1 347.317 2.539 20 0 EFADML O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC[C@H]3CC(=O)[O-])c2)o1 ZINC001602665532 1096342009 /nfs/dbraw/zinc/34/20/09/1096342009.db2.gz HEROBIACIREKJG-LBPRGKRZSA-N -2 1 343.335 2.544 20 0 EFADML CC(C)C[C@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(=O)[O-] ZINC001603048181 1096425095 /nfs/dbraw/zinc/42/50/95/1096425095.db2.gz OEOOZEYQCVJJKA-AWEZNQCLSA-N -2 1 345.351 2.694 20 0 EFADML C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001604239116 1096782791 /nfs/dbraw/zinc/78/27/91/1096782791.db2.gz SCTPFZKZUNDKLQ-SSDOTTSWSA-N -2 1 349.817 2.602 20 0 EFADML C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(C(=O)[O-])co1 ZINC001604458379 1096865191 /nfs/dbraw/zinc/86/51/91/1096865191.db2.gz VSXJZKNHFYYCJJ-BYPYZUCNSA-N -2 1 335.263 2.741 20 0 EFADML CC[C@@H](C(=O)[N-]OCCCC(=O)[O-])c1ccc(Br)cc1 ZINC001604869510 1096973455 /nfs/dbraw/zinc/97/34/55/1096973455.db2.gz QHLMGACAVAMRNQ-GFCCVEGCSA-N -2 1 344.205 2.855 20 0 EFADML CC[C@@H](CS(=O)(=O)[N-]c1c(C(=O)[O-])ccc2ccccc21)OC ZINC001605054611 1097011181 /nfs/dbraw/zinc/01/11/81/1097011181.db2.gz KIDYYAZGGZEWND-LBPRGKRZSA-N -2 1 337.397 2.705 20 0 EFADML CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001605160534 1097038197 /nfs/dbraw/zinc/03/81/97/1097038197.db2.gz HEZJOTHJDFBZGY-IUCAKERBSA-N -2 1 335.809 2.878 20 0 EFADML CCC[C@H](C)CC[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605207352 1097051374 /nfs/dbraw/zinc/05/13/74/1097051374.db2.gz ZHFNGYQIQGREJO-VIFPVBQESA-N -2 1 335.372 2.768 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2cc(C(=O)[O-])oc2C)[n-]c1=O ZINC001605580250 1097161819 /nfs/dbraw/zinc/16/18/19/1097161819.db2.gz UDUMHASUHMGQOZ-VMPITWQZSA-N -2 1 332.312 2.519 20 0 EFADML CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001605835029 1097244368 /nfs/dbraw/zinc/24/43/68/1097244368.db2.gz YXDMNIMHKKSEPV-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML O=[P@]([O-])(O)C1(Nc2ccc(C3CCC3)nn2)Cc2ccccc2C1 ZINC001167933777 1097330967 /nfs/dbraw/zinc/33/09/67/1097330967.db2.gz NEISFNKNEKBWCQ-UHFFFAOYSA-N -2 1 345.339 2.829 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc(C3CCC3)nn2)Cc2ccccc2C1 ZINC001167933777 1097330970 /nfs/dbraw/zinc/33/09/70/1097330970.db2.gz NEISFNKNEKBWCQ-UHFFFAOYSA-N -2 1 345.339 2.829 20 0 EFADML O=P([O-])([O-])C1(Nc2nccc3cccnc32)Cc2ccccc2C1 ZINC001167936702 1097356611 /nfs/dbraw/zinc/35/66/11/1097356611.db2.gz MYUAUZGALSPHGU-UHFFFAOYSA-N -2 1 341.307 2.715 20 0 EFADML COCc1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cc1 ZINC001167939799 1097385585 /nfs/dbraw/zinc/38/55/85/1097385585.db2.gz QLEXIHYDJXWIAC-UHFFFAOYSA-N -2 1 333.324 2.918 20 0 EFADML COCCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001606924875 1097475477 /nfs/dbraw/zinc/47/54/77/1097475477.db2.gz NEFCVOJCUVSGDJ-UHFFFAOYSA-N -2 1 349.408 2.683 20 0 EFADML COc1ccc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[n-]2)cc1OC ZINC001607196371 1097557600 /nfs/dbraw/zinc/55/76/00/1097557600.db2.gz KWEBKHSWIYEWKE-UHFFFAOYSA-N -2 1 326.308 2.718 20 0 EFADML CSc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])ccn1 ZINC001607404400 1097619972 /nfs/dbraw/zinc/61/99/72/1097619972.db2.gz VWBGWNYODFOHAK-UHFFFAOYSA-N -2 1 338.410 2.611 20 0 EFADML Cc1cc([C@@H](NCc2nc(=O)c3sccc3[n-]2)C(=O)[O-])ccc1F ZINC001607611375 1097675815 /nfs/dbraw/zinc/67/58/15/1097675815.db2.gz DYYNKHDMSBBNLM-CYBMUJFWSA-N -2 1 347.371 2.760 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC001607633993 1097684398 /nfs/dbraw/zinc/68/43/98/1097684398.db2.gz VKUZFSLNNGVZFE-HNNXBMFYSA-N -2 1 345.326 2.516 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])s2)c(F)c1 ZINC001607662243 1097693157 /nfs/dbraw/zinc/69/31/57/1097693157.db2.gz WXLHPTZHNXCSIZ-UHFFFAOYSA-N -2 1 347.364 2.511 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1C(=O)[O-] ZINC001607858036 1097756370 /nfs/dbraw/zinc/75/63/70/1097756370.db2.gz CAQPTFZPYXUDCW-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c1C(=O)[O-] ZINC001607862775 1097758160 /nfs/dbraw/zinc/75/81/60/1097758160.db2.gz AHFJLGIHKGOAEF-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML Cc1oc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])cc1C(=O)[O-] ZINC001608049058 1097816547 /nfs/dbraw/zinc/81/65/47/1097816547.db2.gz YIRDGQNJMFVRQI-UHFFFAOYSA-N -2 1 341.319 2.781 20 0 EFADML Cc1sc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c(C(=O)[O-])c1C ZINC001608073063 1097825575 /nfs/dbraw/zinc/82/55/75/1097825575.db2.gz RTCLTLITXGTCOR-UHFFFAOYSA-N -2 1 348.409 2.647 20 0 EFADML Nc1c(NC(=O)c2ccc3ccc(O)cc3c2[O-])cccc1C(=O)[O-] ZINC001608270876 1097877058 /nfs/dbraw/zinc/87/70/58/1097877058.db2.gz QZPWMYNSXCUMET-UHFFFAOYSA-N -2 1 338.319 2.784 20 0 EFADML O=C([O-])[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccsc1 ZINC001608359680 1097901923 /nfs/dbraw/zinc/90/19/23/1097901923.db2.gz BRRBWAHODIAYFA-CYBMUJFWSA-N -2 1 325.773 2.592 20 0 EFADML O=C([O-])c1ccn(CC(=O)Nc2cc(Cl)c([O-])c3ccccc23)n1 ZINC001608378033 1097906940 /nfs/dbraw/zinc/90/69/40/1097906940.db2.gz OLECLILFZHJCMM-UHFFFAOYSA-N -2 1 345.742 2.732 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc2c(c1)CCO2 ZINC001608385470 1097907832 /nfs/dbraw/zinc/90/78/32/1097907832.db2.gz DIAYAEUNIRDUFY-HNNXBMFYSA-N -2 1 347.754 2.536 20 0 EFADML O=C([O-])c1cc(C(=O)[N-]c2c(F)ccc(Br)c2F)no1 ZINC001608496864 1097931975 /nfs/dbraw/zinc/93/19/75/1097931975.db2.gz UFBSJIBAAGOGAH-UHFFFAOYSA-N -2 1 347.071 2.666 20 0 EFADML O=C([O-])c1cc(NC(=O)c2nnc3ccccc3c2O)cc2[nH]ccc21 ZINC001608499020 1097932665 /nfs/dbraw/zinc/93/26/65/1097932665.db2.gz KKHOHCACPHVHBM-UHFFFAOYSA-N -2 1 348.318 2.767 20 0 EFADML O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC001608534510 1097943057 /nfs/dbraw/zinc/94/30/57/1097943057.db2.gz ZHKWTQBWOYCHDN-LBPRGKRZSA-N -2 1 347.383 2.667 20 0 EFADML O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001608656092 1097979285 /nfs/dbraw/zinc/97/92/85/1097979285.db2.gz PSJYOEHDPZZDTM-HNNXBMFYSA-N -2 1 347.754 2.706 20 0 EFADML O=C([O-])C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC001608667586 1097984073 /nfs/dbraw/zinc/98/40/73/1097984073.db2.gz MBNQGDXEKLXVQN-SECBINFHSA-N -2 1 331.290 2.642 20 0 EFADML O=C([O-])C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])C1CCCC1 ZINC001608674261 1097986404 /nfs/dbraw/zinc/98/64/04/1097986404.db2.gz PSAZGDKGMJLQNT-CQSZACIVSA-N -2 1 328.368 2.704 20 0 EFADML O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC001608705152 1097995124 /nfs/dbraw/zinc/99/51/24/1097995124.db2.gz DSRDQRAEAHFMQM-AWEZNQCLSA-N -2 1 331.343 2.737 20 0 EFADML O=C([O-])CCSc1ncccc1[N-]C(=O)c1cnc(C2CC2)o1 ZINC001608735631 1098004522 /nfs/dbraw/zinc/00/45/22/1098004522.db2.gz HYTRIWYYPCFCAT-UHFFFAOYSA-N -2 1 333.369 2.766 20 0 EFADML O=C([O-])CCSc1ncccc1NC(=O)c1ccc([O-])cc1F ZINC001608735843 1098004590 /nfs/dbraw/zinc/00/45/90/1098004590.db2.gz ZFAVGUNTDWTYNR-UHFFFAOYSA-N -2 1 336.344 2.745 20 0 EFADML O=C([O-])c1ccc([C@H](NC(=O)c2cncc([O-])c2)C(F)(F)F)cc1 ZINC001608878277 1098054795 /nfs/dbraw/zinc/05/47/95/1098054795.db2.gz NEYOPSYIJRJZID-LBPRGKRZSA-N -2 1 340.257 2.519 20 0 EFADML O=C([O-])c1ccc(COC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC001608889810 1098060992 /nfs/dbraw/zinc/06/09/92/1098060992.db2.gz VXKIPWRZMOLIQP-UHFFFAOYSA-N -2 1 338.319 2.633 20 0 EFADML O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001608894188 1098063160 /nfs/dbraw/zinc/06/31/60/1098063160.db2.gz QAUSPDCBXWFLQU-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1 ZINC001608905228 1098066495 /nfs/dbraw/zinc/06/64/95/1098066495.db2.gz JDKCAJVIIAKKLR-UHFFFAOYSA-N -2 1 334.275 2.533 20 0 EFADML O=C([O-])c1csc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC001608993472 1098103206 /nfs/dbraw/zinc/10/32/06/1098103206.db2.gz PMIBZYYULLRVHN-LLVKDONJSA-N -2 1 347.364 2.731 20 0 EFADML O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC001609027361 1098117352 /nfs/dbraw/zinc/11/73/52/1098117352.db2.gz PUNWZVXLISMELL-GOSISDBHSA-N -2 1 345.782 2.914 20 0 EFADML CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC001609624829 1098407738 /nfs/dbraw/zinc/40/77/38/1098407738.db2.gz UYJPGVXMMCHQPB-UHFFFAOYSA-N -2 1 342.351 2.918 20 0 EFADML C[C@H](CN(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-])C(=O)[O-] ZINC001609742098 1098443649 /nfs/dbraw/zinc/44/36/49/1098443649.db2.gz HMLSXRAWRHOFOX-GFCCVEGCSA-N -2 1 331.343 2.894 20 0 EFADML C[C@]1([N-]S(=O)(=O)c2c(F)cccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC001609825555 1098469875 /nfs/dbraw/zinc/46/98/75/1098469875.db2.gz YZJNRPVEKNDLGA-XPTSAGLGSA-N -2 1 349.811 2.791 20 0 EFADML CC[C@@](C)([N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-])C(F)(F)F ZINC001609897620 1098487531 /nfs/dbraw/zinc/48/75/31/1098487531.db2.gz RETDYXQOHMBGLJ-LLVKDONJSA-N -2 1 343.298 2.533 20 0 EFADML CC[C@](CNC(=O)c1ccc([O-])c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001609920577 1098494828 /nfs/dbraw/zinc/49/48/28/1098494828.db2.gz QUQCAKHCOLOJTF-GOSISDBHSA-N -2 1 331.343 2.694 20 0 EFADML CCSCc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001610051316 1098531534 /nfs/dbraw/zinc/53/15/34/1098531534.db2.gz CMMIMNXWNOJELL-UHFFFAOYSA-N -2 1 340.426 2.767 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)ccc1C(=O)[O-] ZINC001610306869 1098613481 /nfs/dbraw/zinc/61/34/81/1098613481.db2.gz FGGPLXODHQPELA-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211654992 1098622390 /nfs/dbraw/zinc/62/23/90/1098622390.db2.gz IVMCRDZSZSCKED-UHFFFAOYSA-N -2 1 335.381 2.936 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c(C)c1 ZINC001610455545 1098688144 /nfs/dbraw/zinc/68/81/44/1098688144.db2.gz JMOLIULGXDRAOS-UHFFFAOYSA-N -2 1 334.397 2.814 20 0 EFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001610467044 1098694218 /nfs/dbraw/zinc/69/42/18/1098694218.db2.gz HZIIFIMQAXWAEQ-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC001610765645 1098873339 /nfs/dbraw/zinc/87/33/39/1098873339.db2.gz KMIIVPYXYOUDTP-CYBMUJFWSA-N -2 1 331.343 2.737 20 0 EFADML O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cc(C3CC3)ccn2)cc1 ZINC001610829571 1098919659 /nfs/dbraw/zinc/91/96/59/1098919659.db2.gz GJHKSJMYEBZYJJ-UHFFFAOYSA-N -2 1 332.381 2.599 20 0 EFADML O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC001610832486 1098922630 /nfs/dbraw/zinc/92/26/30/1098922630.db2.gz HKPCMFPJHSKGOO-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1cccc([C@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC001631373024 1100392691 /nfs/dbraw/zinc/39/26/91/1100392691.db2.gz JBVSWSDGZWBXFS-NSHDSACASA-N -2 1 338.367 2.544 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)c1 ZINC000056681895 214384499 /nfs/dbraw/zinc/38/44/99/214384499.db2.gz YLXKOPNMNKLATH-YFHOEESVSA-N -2 1 345.376 2.788 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)sc1C(=O)[O-] ZINC000037225805 213136078 /nfs/dbraw/zinc/13/60/78/213136078.db2.gz ADJOTFBDHTXPTI-UHFFFAOYSA-N -2 1 333.337 2.834 20 0 EFADML O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000037374729 213141930 /nfs/dbraw/zinc/14/19/30/213141930.db2.gz DQXKPWIZVWRSNS-UHFFFAOYSA-N -2 1 346.257 2.978 20 0 EFADML CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000035094976 213008748 /nfs/dbraw/zinc/00/87/48/213008748.db2.gz HEAGXVZJIGLJFU-ZCFIWIBFSA-N -2 1 346.257 2.977 20 0 EFADML O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCCC1 ZINC000037376320 213142446 /nfs/dbraw/zinc/14/24/46/213142446.db2.gz WWPSNACSIGSYSI-UHFFFAOYSA-N -2 1 344.241 2.731 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000193482475 240107631 /nfs/dbraw/zinc/10/76/31/240107631.db2.gz XHBWYENIKYHUOO-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1 ZINC000194157028 240140316 /nfs/dbraw/zinc/14/03/16/240140316.db2.gz IGJPQJJVLWPSFV-UHFFFAOYSA-N -2 1 334.378 2.795 20 0 EFADML C[C@H](CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000229517807 242172397 /nfs/dbraw/zinc/17/23/97/242172397.db2.gz FNHWEAZDNUGKGT-ZCFIWIBFSA-N -2 1 346.257 2.834 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1F ZINC000427327309 247338002 /nfs/dbraw/zinc/33/80/02/247338002.db2.gz CSTKZLJBTCRIKA-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000356698121 304264155 /nfs/dbraw/zinc/26/41/55/304264155.db2.gz GVSYVQSAYJEWHI-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML CCn1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1C(=O)[O-] ZINC000315179346 545810868 /nfs/dbraw/zinc/81/08/68/545810868.db2.gz JBABSJARNPCCHB-UHFFFAOYSA-N -2 1 342.804 2.969 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000346478981 142210321 /nfs/dbraw/zinc/21/03/21/142210321.db2.gz KYOFZPMRVARVKL-UHFFFAOYSA-N -2 1 344.348 2.841 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc2n[nH]cc21 ZINC000346495146 142212354 /nfs/dbraw/zinc/21/23/54/142212354.db2.gz WZLPGEOLGMZVMY-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1 ZINC000350741286 146086305 /nfs/dbraw/zinc/08/63/05/146086305.db2.gz NBUYIUUKRVMCDO-UHFFFAOYSA-N -2 1 348.380 2.534 20 0 EFADML Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357078620 147418471 /nfs/dbraw/zinc/41/84/71/147418471.db2.gz LQBXCHLJHBAOES-UHFFFAOYSA-N -2 1 344.392 2.904 20 0 EFADML CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000136256796 280226119 /nfs/dbraw/zinc/22/61/19/280226119.db2.gz VJJADSKCDULHJM-LURJTMIESA-N -2 1 346.257 2.833 20 0 EFADML Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000262132632 302561117 /nfs/dbraw/zinc/56/11/17/302561117.db2.gz OFPPQQZLXMBIAD-UHFFFAOYSA-N -2 1 329.356 2.739 20 0 EFADML CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000299612977 311102776 /nfs/dbraw/zinc/10/27/76/311102776.db2.gz OSQWSVCMQXNBPK-JTQLQIEISA-N -2 1 338.385 2.691 20 0 EFADML Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000314274886 311233282 /nfs/dbraw/zinc/23/32/82/311233282.db2.gz KBDBIIJVUXKEMV-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000320026533 311237335 /nfs/dbraw/zinc/23/73/35/311237335.db2.gz NQKOWJPAOPCGHV-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c(F)c1 ZINC000405005592 311974062 /nfs/dbraw/zinc/97/40/62/311974062.db2.gz MJLGNZQJIFOTKK-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccccc2COC)c(C(=O)[O-])c1 ZINC000484518005 313320383 /nfs/dbraw/zinc/32/03/83/313320383.db2.gz UVKPBAUEETVTLR-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1COC ZINC000539805852 317730788 /nfs/dbraw/zinc/73/07/88/317730788.db2.gz KVYYLBZSELNCPN-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000547612717 318021684 /nfs/dbraw/zinc/02/16/84/318021684.db2.gz JIMQWVWKLMATQK-GFCCVEGCSA-N -2 1 339.413 2.991 20 0 EFADML CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000547935065 318053367 /nfs/dbraw/zinc/05/33/67/318053367.db2.gz QLJXNNJJGSXYJH-AAEUAGOBSA-N -2 1 339.413 2.991 20 0 EFADML COc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000548149989 318078321 /nfs/dbraw/zinc/07/83/21/318078321.db2.gz JBGIOGXBSYCOFR-UHFFFAOYSA-N -2 1 345.373 2.703 20 0 EFADML CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1F ZINC000548238606 318086053 /nfs/dbraw/zinc/08/60/53/318086053.db2.gz LFKRQLSHRRJMBQ-SECBINFHSA-N -2 1 335.372 2.523 20 0 EFADML O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000548259794 318086820 /nfs/dbraw/zinc/08/68/20/318086820.db2.gz BCQSPMCOCAPJLM-CMPLNLGQSA-N -2 1 347.383 2.667 20 0 EFADML O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000548259797 318086877 /nfs/dbraw/zinc/08/68/77/318086877.db2.gz BCQSPMCOCAPJLM-ZYHUDNBSSA-N -2 1 347.383 2.667 20 0 EFADML CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000548260825 318087040 /nfs/dbraw/zinc/08/70/40/318087040.db2.gz SGSYOQJYJUCAJB-BXKDBHETSA-N -2 1 335.372 2.523 20 0 EFADML C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000548265332 318087285 /nfs/dbraw/zinc/08/72/85/318087285.db2.gz AGODBSJYKNKPIT-ZJUUUORDSA-N -2 1 335.372 2.523 20 0 EFADML C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548548787 318118644 /nfs/dbraw/zinc/11/86/44/318118644.db2.gz GEQGYADYBGVDPK-XJKSGUPXSA-N -2 1 337.397 2.745 20 0 EFADML C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cc(F)ccc2F)(CC(=O)[O-])C1 ZINC000548544608 318118724 /nfs/dbraw/zinc/11/87/24/318118724.db2.gz HUIULIISGDXTSJ-MEBBXXQBSA-N -2 1 347.383 2.524 20 0 EFADML C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(F)ccc2F)(CC(=O)[O-])C1 ZINC000548544605 318118735 /nfs/dbraw/zinc/11/87/35/318118735.db2.gz HUIULIISGDXTSJ-BMIGLBTASA-N -2 1 347.383 2.524 20 0 EFADML C[C@H]1CCC[C@]([N-]S(=O)(=O)c2cc3ccccc3o2)(C(=O)[O-])C1 ZINC000548771119 318142055 /nfs/dbraw/zinc/14/20/55/318142055.db2.gz UWWBUIXYNMAQKZ-MEDUHNTESA-N -2 1 337.397 2.745 20 0 EFADML COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)CCC1CCC1 ZINC000565056105 318928907 /nfs/dbraw/zinc/92/89/07/318928907.db2.gz ULVUYHNIPGNEAA-UHFFFAOYSA-N -2 1 341.429 2.644 20 0 EFADML CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000569304123 319366256 /nfs/dbraw/zinc/36/62/56/319366256.db2.gz PUVMLRUUOGWRKP-NSHDSACASA-N -2 1 349.399 2.914 20 0 EFADML CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000569304122 319366362 /nfs/dbraw/zinc/36/63/62/319366362.db2.gz PUVMLRUUOGWRKP-LLVKDONJSA-N -2 1 349.399 2.914 20 0 EFADML CCOc1cc(C(=O)NC2(C(=O)[O-])CCCC2)cc(Cl)c1[O-] ZINC000571497139 319578897 /nfs/dbraw/zinc/57/88/97/319578897.db2.gz DOZQHGFCJNMZFO-UHFFFAOYSA-N -2 1 327.764 2.572 20 0 EFADML C[C@]1([N-]S(=O)(=O)c2cc3ccccc3o2)CCCC[C@@H]1C(=O)[O-] ZINC000574397401 319858718 /nfs/dbraw/zinc/85/87/18/319858718.db2.gz MUDFTHDJZBKAKC-WBMJQRKESA-N -2 1 337.397 2.745 20 0 EFADML CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC ZINC000579838848 324043063 /nfs/dbraw/zinc/04/30/63/324043063.db2.gz BWDAGFBNBIZUSM-VIFPVBQESA-N -2 1 333.381 2.853 20 0 EFADML Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc([O-])cc1F ZINC000583982780 324907450 /nfs/dbraw/zinc/90/74/50/324907450.db2.gz CASQCWNRZRADHW-UHFFFAOYSA-N -2 1 328.303 2.583 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1 ZINC000150750069 473347635 /nfs/dbraw/zinc/34/76/35/473347635.db2.gz FBSULAHBQOWAGX-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1cc(C(=O)N2CC(C)(C)CCC2(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000628532249 479928925 /nfs/dbraw/zinc/92/89/25/479928925.db2.gz CYTXRNGQZLVUBM-UHFFFAOYSA-N -2 1 344.415 2.785 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000006623252 471555104 /nfs/dbraw/zinc/55/51/04/471555104.db2.gz JRAMQSMUOIPWNF-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000012823160 471799050 /nfs/dbraw/zinc/79/90/50/471799050.db2.gz JAHWZMPPBIDFRI-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000013078323 471815141 /nfs/dbraw/zinc/81/51/41/471815141.db2.gz GNDVGHVOIIPOPI-UHFFFAOYSA-N -2 1 347.392 2.707 20 0 EFADML COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000013358958 471827813 /nfs/dbraw/zinc/82/78/13/471827813.db2.gz ZTBOLOKBTHOYDV-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1 ZINC000013464573 471831110 /nfs/dbraw/zinc/83/11/10/471831110.db2.gz URLDCHFHOSYFDQ-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000014097303 471852080 /nfs/dbraw/zinc/85/20/80/471852080.db2.gz RWUXAVNBWVHULX-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1C(=O)[O-] ZINC000067244151 472010746 /nfs/dbraw/zinc/01/07/46/472010746.db2.gz JAOAGGYEALKNLG-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(C(=O)[O-])c1 ZINC000068076262 472131761 /nfs/dbraw/zinc/13/17/61/472131761.db2.gz MHQYUNZCAKXPTB-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC000075606855 472166996 /nfs/dbraw/zinc/16/69/96/472166996.db2.gz RFVXKXKJPHESFG-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML N#CCc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000029972282 472309896 /nfs/dbraw/zinc/30/98/96/472309896.db2.gz PUCZRJYLLZNVLV-UHFFFAOYSA-N -2 1 344.392 2.571 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1 ZINC000031534527 472381043 /nfs/dbraw/zinc/38/10/43/472381043.db2.gz HCJMVMRUJVQGIN-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML Cc1c([N-]S(=O)(=O)c2ccc3c(c2)COC3)cccc1C(=O)[O-] ZINC000071796134 472566973 /nfs/dbraw/zinc/56/69/73/472566973.db2.gz XVAURANUYMXNQS-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000047949017 472787477 /nfs/dbraw/zinc/78/74/77/472787477.db2.gz ASFZYKBYPHSGPT-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000066290494 473069853 /nfs/dbraw/zinc/06/98/53/473069853.db2.gz XFBYQYSEEMTPQN-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000123908841 473196884 /nfs/dbraw/zinc/19/68/84/473196884.db2.gz LSRRLWBKBCKPGQ-LURJTMIESA-N -2 1 346.257 2.834 20 0 EFADML CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000288947972 474099098 /nfs/dbraw/zinc/09/90/98/474099098.db2.gz BTYSWSZUTUVKMK-JTQLQIEISA-N -2 1 347.268 2.957 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1OC(C)C ZINC000278631375 474747194 /nfs/dbraw/zinc/74/71/94/474747194.db2.gz YGOCJSRIKJAVBR-UHFFFAOYSA-N -2 1 338.385 2.609 20 0 EFADML CSc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000314462765 474861667 /nfs/dbraw/zinc/86/16/67/474861667.db2.gz LGAAHLGHSLDPRJ-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000316842983 474881196 /nfs/dbraw/zinc/88/11/96/474881196.db2.gz MFERUBCZDUFWPI-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000316816301 474882035 /nfs/dbraw/zinc/88/20/35/474882035.db2.gz JEHQMXIGDXLSQA-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000318767557 474894115 /nfs/dbraw/zinc/89/41/15/474894115.db2.gz MFOLESICUGCSBT-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC000320437460 474911533 /nfs/dbraw/zinc/91/15/33/474911533.db2.gz HXLHZBVKSTYKTR-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1F ZINC000320380386 474911629 /nfs/dbraw/zinc/91/16/29/474911629.db2.gz BBKZKLNKUZGVGW-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1O ZINC000322736375 474940959 /nfs/dbraw/zinc/94/09/59/474940959.db2.gz WYEREPIZSLAAKI-UHFFFAOYSA-N -2 1 335.381 2.519 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000324283997 474964265 /nfs/dbraw/zinc/96/42/65/474964265.db2.gz NUHLPAZQGGKOTC-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000339416518 475202325 /nfs/dbraw/zinc/20/23/25/475202325.db2.gz JALNJTKGZYMBKW-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C)oc2C)c1F ZINC000352436543 475295069 /nfs/dbraw/zinc/29/50/69/475295069.db2.gz IBANUNZQADRELN-UHFFFAOYSA-N -2 1 343.332 2.543 20 0 EFADML CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000297247512 475673341 /nfs/dbraw/zinc/67/33/41/475673341.db2.gz QIUWGGOHYKAJCF-ZCFIWIBFSA-N -2 1 346.257 2.834 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc(C(=O)[O-])c1C ZINC000358493455 475722470 /nfs/dbraw/zinc/72/24/70/475722470.db2.gz DONVHWQTVNBWOL-UHFFFAOYSA-N -2 1 347.392 2.737 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000340128215 475779169 /nfs/dbraw/zinc/77/91/69/475779169.db2.gz FDYOYCWJFUSEFX-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000338345862 475808872 /nfs/dbraw/zinc/80/88/72/475808872.db2.gz SIEGFMVVBXIOSH-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)ccc1F ZINC000346826494 475890699 /nfs/dbraw/zinc/89/06/99/475890699.db2.gz LLFSFKWWSLTFRL-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cc(C)sc2C)ccc1C(=O)[O-] ZINC000336866655 476148208 /nfs/dbraw/zinc/14/82/08/476148208.db2.gz PDPYQZFTQKODSW-UHFFFAOYSA-N -2 1 341.410 2.873 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000336869194 476151905 /nfs/dbraw/zinc/15/19/05/476151905.db2.gz ZXIJVYXWUCLJEJ-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000357014512 476156178 /nfs/dbraw/zinc/15/61/78/476156178.db2.gz JRVCTXOZANKDJL-UHFFFAOYSA-N -2 1 330.365 2.596 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000362309903 476160718 /nfs/dbraw/zinc/16/07/18/476160718.db2.gz UXZXGPJTLUEOIK-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML Cc1cc2cc([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)ccc2[nH]1 ZINC000357024265 476167179 /nfs/dbraw/zinc/16/71/79/476167179.db2.gz ZNKKYKMSEYGPAY-UHFFFAOYSA-N -2 1 344.392 2.904 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000353680854 476183190 /nfs/dbraw/zinc/18/31/90/476183190.db2.gz UZDZWJVYHGGNGI-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000360869735 476441762 /nfs/dbraw/zinc/44/17/62/476441762.db2.gz GAEJSDJGSUQLGF-GFCCVEGCSA-N -2 1 349.408 2.822 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cs1 ZINC000357546174 476445107 /nfs/dbraw/zinc/44/51/07/476445107.db2.gz PBUFPKQIFSVKDV-UHFFFAOYSA-N -2 1 339.394 2.572 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1 ZINC000390974702 476809069 /nfs/dbraw/zinc/80/90/69/476809069.db2.gz SLCJPEXMBXEUCY-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML CCC(CC)(C[N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC000424367591 477381651 /nfs/dbraw/zinc/38/16/51/477381651.db2.gz MVNYZDDWEGGRKB-UHFFFAOYSA-N -2 1 337.800 2.648 20 0 EFADML Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000436181420 477435655 /nfs/dbraw/zinc/43/56/55/477435655.db2.gz RXXJPAGZVDPFNG-UHFFFAOYSA-N -2 1 344.392 2.904 20 0 EFADML COc1cc(C)cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1[O-] ZINC000436544546 477509016 /nfs/dbraw/zinc/50/90/16/477509016.db2.gz DMWWRRFGQQEQEH-UHFFFAOYSA-N -2 1 341.392 2.902 20 0 EFADML CSc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436952741 477646396 /nfs/dbraw/zinc/64/63/96/477646396.db2.gz YQCILJMLEXFXQD-UHFFFAOYSA-N -2 1 339.394 2.613 20 0 EFADML Cc1cscc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000439069126 477926173 /nfs/dbraw/zinc/92/61/73/477926173.db2.gz SREIBFSLLHPHET-UHFFFAOYSA-N -2 1 341.410 2.629 20 0 EFADML C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000519659344 478246964 /nfs/dbraw/zinc/24/69/64/478246964.db2.gz UGDRMHUADSXXHB-QMMMGPOBSA-N -2 1 337.800 2.647 20 0 EFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(N(C)C)c1 ZINC000570231898 478314964 /nfs/dbraw/zinc/31/49/64/478314964.db2.gz IHFCNNOUCMCHLV-UHFFFAOYSA-N -2 1 334.397 2.560 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC000599926273 479472637 /nfs/dbraw/zinc/47/26/37/479472637.db2.gz BMBIJBUBOGWVKG-UHFFFAOYSA-N -2 1 346.364 2.676 20 0 EFADML CO[C@H](CS(=O)(=O)[N-]c1cccc(F)c1[O-])C1CCCCC1 ZINC000629327811 480220050 /nfs/dbraw/zinc/22/00/50/480220050.db2.gz XWPMQPCAOWNEEQ-CQSZACIVSA-N -2 1 331.409 2.868 20 0 EFADML O=C([O-])c1cccc(-n2[n-]c3c(c2=O)CCN(Cc2ccccc2)C3)c1 ZINC000634598854 480373087 /nfs/dbraw/zinc/37/30/87/480373087.db2.gz UJQFEDFWBCUIOP-KRWDZBQOSA-N -2 1 349.390 2.610 20 0 EFADML CSc1nc(CN=c2nc(C3CCCCC3)[n-]s2)cc(=O)[n-]1 ZINC000641657895 480991715 /nfs/dbraw/zinc/99/17/15/480991715.db2.gz XTLZKCYJXJTAJC-UHFFFAOYSA-N -2 1 337.474 2.837 20 0 EFADML CCOc1cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc(Cl)c1[O-] ZINC000647763175 481096486 /nfs/dbraw/zinc/09/64/86/481096486.db2.gz PEHFBHANNGHXKA-UHFFFAOYSA-N -2 1 341.791 2.771 20 0 EFADML CCC(CC)(C(=O)[O-])C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000653304751 481214684 /nfs/dbraw/zinc/21/46/84/481214684.db2.gz VZSNZGOOUAZGRN-UHFFFAOYSA-N -2 1 347.411 2.705 20 0 EFADML COc1cccc(C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)c1O ZINC000646462074 481312891 /nfs/dbraw/zinc/31/28/91/481312891.db2.gz BSRMFDWSTWGYEW-UHFFFAOYSA-N -2 1 325.324 2.749 20 0 EFADML CC(C)[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000263265501 519799404 /nfs/dbraw/zinc/79/94/04/519799404.db2.gz WXZNSHKYBBTSQW-LLVKDONJSA-N -2 1 347.845 2.942 20 0 EFADML CCOc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc(Cl)c1[O-] ZINC000263144339 520660668 /nfs/dbraw/zinc/66/06/68/520660668.db2.gz GZNQAQQUSYNZCF-VHSXEESVSA-N -2 1 341.791 2.770 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1C(=O)[O-] ZINC000152950245 524017264 /nfs/dbraw/zinc/01/72/64/524017264.db2.gz MKFUNZGXKCUGBW-UHFFFAOYSA-N -2 1 345.380 2.624 20 0 EFADML CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000192701068 524066272 /nfs/dbraw/zinc/06/62/72/524066272.db2.gz PAOACWLXISRIAP-UHFFFAOYSA-N -2 1 333.409 2.985 20 0 EFADML CC[C@H](C)[C@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)C(=O)[O-] ZINC000263418267 535984484 /nfs/dbraw/zinc/98/44/84/535984484.db2.gz OQFTVGXSGBUQEQ-XPTSAGLGSA-N -2 1 330.388 2.772 20 0 EFADML CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C(=O)[O-] ZINC000336850267 545901726 /nfs/dbraw/zinc/90/17/26/545901726.db2.gz QJLYDHWNUBEYGV-UHFFFAOYSA-N -2 1 342.804 2.969 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC000350516552 546027745 /nfs/dbraw/zinc/02/77/45/546027745.db2.gz POAWXMVJVAHKLZ-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc(C(=O)[O-])c1 ZINC000350512345 546027810 /nfs/dbraw/zinc/02/78/10/546027810.db2.gz IOOQLTWNZOVMFE-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COCCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC000507561244 546295714 /nfs/dbraw/zinc/29/57/14/546295714.db2.gz ACFXOJBJQWXSTB-UHFFFAOYSA-N -2 1 349.408 2.683 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000507582213 546296002 /nfs/dbraw/zinc/29/60/02/546296002.db2.gz LTKQBPOLGAYJHM-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML CCOc1cc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc(Cl)c1[O-] ZINC000655563665 546486159 /nfs/dbraw/zinc/48/61/59/546486159.db2.gz HQYICZNKYCUSDV-SNVBAGLBSA-N -2 1 329.780 2.531 20 0 EFADML Cc1nc(-c2ccc(NC[C@@H](CC(=O)[O-])C3CC3)nc2)[n-]c(=O)c1C ZINC000656784029 546922931 /nfs/dbraw/zinc/92/29/31/546922931.db2.gz PRXDINVQRXVJLH-CQSZACIVSA-N -2 1 342.399 2.774 20 0 EFADML CC[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C1CCCCC1 ZINC000673654397 547928506 /nfs/dbraw/zinc/92/85/06/547928506.db2.gz UDNGUTNSTITCMZ-GFCCVEGCSA-N -2 1 344.415 2.833 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000679275887 549091194 /nfs/dbraw/zinc/09/11/94/549091194.db2.gz UPFLSXYARKDENJ-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML COc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2[O-])C(=O)[O-])cc1 ZINC000737962822 577344361 /nfs/dbraw/zinc/34/43/61/577344361.db2.gz SGFNHFHXMIXCGS-CQSZACIVSA-N -2 1 335.743 2.610 20 0 EFADML O=C([O-])c1ccc(OCCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000740165298 577428762 /nfs/dbraw/zinc/42/87/62/577428762.db2.gz MIYDAOQYOYVBLF-UHFFFAOYSA-N -2 1 335.743 2.553 20 0 EFADML O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000322608898 599852873 /nfs/dbraw/zinc/85/28/73/599852873.db2.gz OCLPZSXFHAIBHH-UHFFFAOYSA-N -2 1 341.335 2.783 20 0 EFADML O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1cc(F)ccc1F ZINC000739500910 599972934 /nfs/dbraw/zinc/97/29/34/599972934.db2.gz COHHPVFVNWOYTA-CYBMUJFWSA-N -2 1 341.260 2.999 20 0 EFADML O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1cc(F)ccc1F ZINC000739368967 599979914 /nfs/dbraw/zinc/97/99/14/599979914.db2.gz OOFVSSIWWVSPPR-CYBMUJFWSA-N -2 1 341.697 2.880 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000737213585 600097765 /nfs/dbraw/zinc/09/77/65/600097765.db2.gz UXHPYKFIWAUNMU-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(C)c1 ZINC000738041852 600099629 /nfs/dbraw/zinc/09/96/29/600099629.db2.gz NNBLUQXNDAHQSB-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738109564 600099920 /nfs/dbraw/zinc/09/99/20/600099920.db2.gz TUHNFPGONZUHOT-UHFFFAOYSA-N -2 1 340.332 2.725 20 0 EFADML O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1F ZINC000740012385 600101680 /nfs/dbraw/zinc/10/16/80/600101680.db2.gz MRXILCSBSXHKMO-UHFFFAOYSA-N -2 1 346.286 2.995 20 0 EFADML CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000322098165 600254598 /nfs/dbraw/zinc/25/45/98/600254598.db2.gz GTBKCCCCTKJUOQ-UHFFFAOYSA-N -2 1 338.385 2.611 20 0 EFADML CCOc1ccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])c(C)c1 ZINC000737210011 600255123 /nfs/dbraw/zinc/25/51/23/600255123.db2.gz GHKPRQILPZHZFU-UHFFFAOYSA-N -2 1 338.385 2.529 20 0 EFADML Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c1 ZINC000738576979 600301085 /nfs/dbraw/zinc/30/10/85/600301085.db2.gz JPXAHKYPAUTFNY-UHFFFAOYSA-N -2 1 334.397 2.872 20 0 EFADML O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc3ccccc3cc1[O-])CC2 ZINC000739533445 600318703 /nfs/dbraw/zinc/31/87/03/600318703.db2.gz CWGRAMZVVOUDJM-HNNXBMFYSA-N -2 1 325.364 2.872 20 0 EFADML O=C([O-])[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccc(F)cc1 ZINC000740288188 600454179 /nfs/dbraw/zinc/45/41/79/600454179.db2.gz BMKHHZCMIMYLEK-CYBMUJFWSA-N -2 1 326.226 2.792 20 0 EFADML O=C([O-])c1cccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000020394852 600581676 /nfs/dbraw/zinc/58/16/76/600581676.db2.gz FODHTDBFPZGIMV-UHFFFAOYSA-N -2 1 330.287 2.779 20 0 EFADML Cc1nc(-c2cccc(-c3nc4cc(C(=O)[O-])ccc4c(=O)[n-]3)c2)n[nH]1 ZINC000738934026 600603364 /nfs/dbraw/zinc/60/33/64/600603364.db2.gz NWHNLBALTVFKRJ-UHFFFAOYSA-N -2 1 347.334 2.794 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2ccccc2C(=O)[O-])c1 ZINC000825957671 600658567 /nfs/dbraw/zinc/65/85/67/600658567.db2.gz YRABIMILDSLXLG-UHFFFAOYSA-N -2 1 328.320 2.693 20 0 EFADML CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1c([O-])cccc1Cl ZINC000830000126 600722689 /nfs/dbraw/zinc/72/26/89/600722689.db2.gz CLTIDHYDGRTDQS-NSHDSACASA-N -2 1 343.807 2.635 20 0 EFADML O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccccn1 ZINC000833165705 600976102 /nfs/dbraw/zinc/97/61/02/600976102.db2.gz BSJIVWNXCIHFCP-GFCCVEGCSA-N -2 1 340.713 2.769 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1O ZINC000738632986 601118182 /nfs/dbraw/zinc/11/81/82/601118182.db2.gz SVBXKRMAFAHLLJ-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000392193357 601195935 /nfs/dbraw/zinc/19/59/35/601195935.db2.gz AHFBEFCZHMRYAE-UHFFFAOYSA-N -2 1 343.383 2.584 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000832993771 601198031 /nfs/dbraw/zinc/19/80/31/601198031.db2.gz BWCTYCVHBJEERJ-UHFFFAOYSA-N -2 1 344.371 2.981 20 0 EFADML CCc1cccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c1 ZINC000830270622 601250949 /nfs/dbraw/zinc/25/09/49/601250949.db2.gz VREJXAWXJTXPLE-UHFFFAOYSA-N -2 1 334.397 2.817 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C)c1O ZINC000324914729 601324519 /nfs/dbraw/zinc/32/45/19/601324519.db2.gz YCQBQGZWZQJCLL-POHAHGRESA-N -2 1 347.392 2.908 20 0 EFADML O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCCCC1 ZINC000833169169 601596848 /nfs/dbraw/zinc/59/68/48/601596848.db2.gz JTVCDVYTPNTMSI-OAHLLOKOSA-N -2 1 337.397 2.745 20 0 EFADML O=C([O-])C1(CNC(=O)c2cc(Br)ccc2[O-])CCCC1 ZINC000236421173 601601113 /nfs/dbraw/zinc/60/11/13/601601113.db2.gz SXMLHKYXFOKSTP-UHFFFAOYSA-N -2 1 342.189 2.530 20 0 EFADML CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000830085342 601854815 /nfs/dbraw/zinc/85/48/15/601854815.db2.gz SZYMOLBDHGWKSH-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000833293827 601855160 /nfs/dbraw/zinc/85/51/60/601855160.db2.gz AORKHYUBGFWQIS-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)s1 ZINC000020395624 601894850 /nfs/dbraw/zinc/89/48/50/601894850.db2.gz LRSLXSKKWAJIEY-UHFFFAOYSA-N -2 1 336.316 2.841 20 0 EFADML CCC[C@H](C)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)[nH]n1 ZINC000829215347 602102418 /nfs/dbraw/zinc/10/24/18/602102418.db2.gz APZSDXRCCWSKMH-QMMMGPOBSA-N -2 1 343.430 2.874 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)cc1C(=O)[O-] ZINC000166001563 602158330 /nfs/dbraw/zinc/15/83/30/602158330.db2.gz XJJSBYMBPZHPCM-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000833334963 602309048 /nfs/dbraw/zinc/30/90/48/602309048.db2.gz WBDPFIPQTPXALO-UHFFFAOYSA-N -2 1 335.385 2.566 20 0 EFADML CCC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000828580537 604806279 /nfs/dbraw/zinc/80/62/79/604806279.db2.gz MHSGLULLHXMPHH-UHFFFAOYSA-N -2 1 333.365 2.778 20 0 EFADML CC(C)c1cccnc1[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833511549 605013036 /nfs/dbraw/zinc/01/30/36/605013036.db2.gz XPQYETLCQSXDIG-UHFFFAOYSA-N -2 1 334.397 2.845 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000833750920 605177182 /nfs/dbraw/zinc/17/71/82/605177182.db2.gz HMCBDFBNDHVTIV-UHFFFAOYSA-N -2 1 346.408 2.768 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1C(=O)[O-] ZINC000231768622 605301993 /nfs/dbraw/zinc/30/19/93/605301993.db2.gz GKTYDQDYYKCMRW-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML COc1ccc([O-])c(C(=O)c2cnn(-c3cccc(C(=O)[O-])c3)c2)c1 ZINC000015232231 605572373 /nfs/dbraw/zinc/57/23/73/605572373.db2.gz QQTXSIBLEYQFCG-UHFFFAOYSA-N -2 1 338.319 2.516 20 0 EFADML CN(C)c1nc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(N=O)c(=O)[n-]1 ZINC001175314173 1287397627 /nfs/dbraw/zinc/39/76/27/1287397627.db2.gz FEUXXDXOFZNPKT-UHFFFAOYSA-N -2 1 337.723 2.741 20 0 EFADML Cc1cc(F)cc2c(O)c(C(=O)Nc3nc(Cl)ccc3[O-])cnc12 ZINC000804614462 1280313885 /nfs/dbraw/zinc/31/38/85/1280313885.db2.gz NLDALIUHUQEHEV-UHFFFAOYSA-N -2 1 347.733 2.982 20 0 EFADML Cc1cccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1C ZINC001148933952 1281813944 /nfs/dbraw/zinc/81/39/44/1281813944.db2.gz OWIRMACGSPEXOV-GFCCVEGCSA-N -2 1 349.408 2.747 20 0 EFADML CC(C)CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927110 1281825683 /nfs/dbraw/zinc/82/56/83/1281825683.db2.gz DBQVHTGOFPLPEK-NSHDSACASA-N -2 1 329.418 2.584 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174500046 1287032657 /nfs/dbraw/zinc/03/26/57/1287032657.db2.gz ODLRQXRLPMKEQI-VMPITWQZSA-N -2 1 333.365 2.637 20 0 EFADML O=C([O-])Cn1cc(Nc2cc(Br)cc(Cl)c2[O-])cn1 ZINC001176272659 1287937286 /nfs/dbraw/zinc/93/72/86/1287937286.db2.gz APRWFIXWDWKTQB-UHFFFAOYSA-N -2 1 346.568 2.833 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176588994 1288027484 /nfs/dbraw/zinc/02/74/84/1288027484.db2.gz SKCSWKUPKKXJFU-UHFFFAOYSA-N -2 1 347.392 2.656 20 0 EFADML CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCCC[P@](=O)([O-])O ZINC001182148928 1290095451 /nfs/dbraw/zinc/09/54/51/1290095451.db2.gz CAATYUSRFJGYMH-QLFBSQMISA-N -2 1 349.408 2.538 20 0 EFADML COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001184695832 1290494342 /nfs/dbraw/zinc/49/43/42/1290494342.db2.gz JXFOVIARILXEPU-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML CSc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccn1 ZINC001185879914 1290783480 /nfs/dbraw/zinc/78/34/80/1290783480.db2.gz VVPJCUZGHUUTED-UHFFFAOYSA-N -2 1 338.410 2.611 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(Cl)cc2F)ccc1F ZINC001186142725 1290875776 /nfs/dbraw/zinc/87/57/76/1290875776.db2.gz BOACDFKGRXMQIM-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML CCOCCS(=O)(=O)[N-]c1c(O)cc(C(F)(F)F)cc1Cl ZINC001187285952 1291137980 /nfs/dbraw/zinc/13/79/80/1291137980.db2.gz AXCRHKUONIHDKP-UHFFFAOYSA-N -2 1 347.742 2.843 20 0 EFADML O=C(Nc1ccc2[n-]c(=S)sc2c1)c1n[n-]nc1C(F)(F)F ZINC001187766016 1291234119 /nfs/dbraw/zinc/23/41/19/1291234119.db2.gz BKDKZLRCPBOXQB-UHFFFAOYSA-N -2 1 345.331 2.974 20 0 EFADML O=C(Nc1nc(Br)ccc1[O-])c1c(F)ccc(F)c1[O-] ZINC001192694562 1292993291 /nfs/dbraw/zinc/99/32/91/1292993291.db2.gz ITFBSSMXHJFZKU-UHFFFAOYSA-N -2 1 345.099 2.786 20 0 EFADML O=C1CCC(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001194799887 1293718748 /nfs/dbraw/zinc/71/87/48/1293718748.db2.gz ZIPHHEHTOQOOHC-UHFFFAOYSA-N -2 1 338.212 2.952 20 0 EFADML O=C([N-]c1nnc(-c2ccco2)o1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195279276 1293873395 /nfs/dbraw/zinc/87/33/95/1293873395.db2.gz OSQPTFCFEYQAFQ-UHFFFAOYSA-N -2 1 343.192 2.844 20 0 EFADML COc1cccc(CS(=O)(=O)[N-]c2c([O-])cc(F)cc2F)c1 ZINC001197376634 1294535498 /nfs/dbraw/zinc/53/54/98/1294535498.db2.gz JQIDPSQAXCPXOH-UHFFFAOYSA-N -2 1 329.324 2.621 20 0 EFADML O=C(Nc1nc(Br)ccc1[O-])c1cc(F)c([O-])c(F)c1 ZINC000121497426 1294873131 /nfs/dbraw/zinc/87/31/31/1294873131.db2.gz MRYSLTJLXSOQIW-UHFFFAOYSA-N -2 1 345.099 2.786 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC001198730200 1295209702 /nfs/dbraw/zinc/20/97/02/1295209702.db2.gz ICZCVOPQARAPMQ-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML COC(=O)c1nc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3F)nc2[n-]1 ZINC001236163472 1313449688 /nfs/dbraw/zinc/44/96/88/1313449688.db2.gz CXZZHJGHWPYKEC-UHFFFAOYSA-N -2 1 349.705 2.854 20 0 EFADML CCOc1cc(C(=O)NCC2(C(=O)[O-])CCCC2)cc(Cl)c1[O-] ZINC000852958316 1299946548 /nfs/dbraw/zinc/94/65/48/1299946548.db2.gz IUXHHSYGXSQMNN-UHFFFAOYSA-N -2 1 341.791 2.819 20 0 EFADML COC(=O)c1nc2cc(-c3ccc(OC)c(C(=O)[O-])c3)ccc2[n-]1 ZINC001241868641 1314157783 /nfs/dbraw/zinc/15/77/83/1314157783.db2.gz KIJLFZVAVJWDRE-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML COC(=O)c1nc2ccc(-c3ccc(OC)c(C(=O)[O-])c3)cc2[n-]1 ZINC001241868641 1314157788 /nfs/dbraw/zinc/15/77/88/1314157788.db2.gz KIJLFZVAVJWDRE-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML Cc1cc(=O)n(-c2ccc(-c3ccc(C(F)(F)F)cc3[O-])nn2)[n-]1 ZINC001243610359 1314301999 /nfs/dbraw/zinc/30/19/99/1314301999.db2.gz JINKGTLZBDNIGT-UHFFFAOYSA-N -2 1 336.273 2.981 20 0 EFADML COC(=O)[N-]C(=S)N(c1ccccc1N)c1ccccc1C(=O)[O-] ZINC001210969159 1314418401 /nfs/dbraw/zinc/41/84/01/1314418401.db2.gz PBGLSLGINHCOAX-UHFFFAOYSA-N -2 1 345.380 2.746 20 0 EFADML O=C([O-])c1cc(-c2ccc(-c3nnn[n-]3)nc2)cc(C(F)(F)F)c1 ZINC001222614729 1311161177 /nfs/dbraw/zinc/16/11/77/1311161177.db2.gz PYFXTILATLLZLE-UHFFFAOYSA-N -2 1 335.245 2.646 20 0 EFADML O=C([O-])c1cc(-c2ccc(-c3nn[n-]n3)nc2)cc(C(F)(F)F)c1 ZINC001222614729 1311161180 /nfs/dbraw/zinc/16/11/80/1311161180.db2.gz PYFXTILATLLZLE-UHFFFAOYSA-N -2 1 335.245 2.646 20 0 EFADML Cn1cc(S(=O)(=O)[N-]c2cccc(O)c2F)c(C2CCCC2)n1 ZINC000901906531 1311179015 /nfs/dbraw/zinc/17/90/15/1311179015.db2.gz SGFXHPSTADGDEG-UHFFFAOYSA-N -2 1 339.392 2.723 20 0 EFADML COc1cc(Nc2cc3ccc([O-])cc3oc2=O)cc(C(=O)[O-])c1 ZINC001213589250 1314577903 /nfs/dbraw/zinc/57/79/03/1314577903.db2.gz WGJACYUNIGBHSD-UHFFFAOYSA-N -2 1 327.292 2.949 20 0 EFADML Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000308086939 1315021252 /nfs/dbraw/zinc/02/12/52/1315021252.db2.gz DCQVXLOPVZLRSJ-UHFFFAOYSA-N -2 1 344.392 2.685 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cnccc2F)c(F)cc1Cl ZINC001259214574 1316221370 /nfs/dbraw/zinc/22/13/70/1316221370.db2.gz XKUYNAHDMAXVSQ-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)Nc2cc([O-])c(Cl)cc2F)c1 ZINC001260189685 1316321168 /nfs/dbraw/zinc/32/11/68/1316321168.db2.gz WXPDQFDWOUIAEZ-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML COc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260189873 1316321629 /nfs/dbraw/zinc/32/16/29/1316321629.db2.gz MNBSGQYSKSOXEF-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1noc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc12 ZINC001260227503 1316324394 /nfs/dbraw/zinc/32/43/94/1316324394.db2.gz AQVAELSLJFUMJJ-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML CCn1ncc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc21 ZINC001260228542 1316324686 /nfs/dbraw/zinc/32/46/86/1316324686.db2.gz JYPGGPQXNKYQFB-UHFFFAOYSA-N -2 1 345.380 2.555 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)cc1 ZINC001260228628 1316324748 /nfs/dbraw/zinc/32/47/48/1316324748.db2.gz PNFHTJBMVJKIGE-UHFFFAOYSA-N -2 1 345.376 2.705 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(C3CCC3)c2)ccc1O ZINC001260393744 1316337142 /nfs/dbraw/zinc/33/71/42/1316337142.db2.gz DHXRMYVTOUZXTA-UHFFFAOYSA-N -2 1 348.380 2.554 20 0 EFADML O=S(=O)([N-]c1ccccc1CO)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875402 1316375141 /nfs/dbraw/zinc/37/51/41/1316375141.db2.gz RDKACSFXIFKDQM-UHFFFAOYSA-N -2 1 348.207 2.992 20 0 EFADML CSc1ccc([O-])c(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC001306825446 1324723085 /nfs/dbraw/zinc/72/30/85/1324723085.db2.gz BCFOXKHSFDMYJB-UHFFFAOYSA-N -2 1 343.364 2.710 20 0 EFADML Cc1cc(C(=O)N2CCCCC[C@H]2C(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362286095 1336587410 /nfs/dbraw/zinc/58/74/10/1336587410.db2.gz QBFSTUYBZYGBSL-ZDUSSCGKSA-N -2 1 344.415 2.785 20 0 EFADML Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc([O-])c1F ZINC001448227812 1392035450 /nfs/dbraw/zinc/03/54/50/1392035450.db2.gz ZBBAQRRHFJVADS-UHFFFAOYSA-N -2 1 328.303 2.583 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000823387575 1428767648 /nfs/dbraw/zinc/76/76/48/1428767648.db2.gz PMVSQLKHPVWAGE-GGWOSOGESA-N -2 1 343.343 2.731 20 0 EFADML Cc1cc(C(=O)N2CC[C@H]2C2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001551770301 1414210435 /nfs/dbraw/zinc/21/04/35/1414210435.db2.gz UCCMHBYDCOUQSY-ZDUSSCGKSA-N -2 1 342.399 2.539 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000823387577 1428910919 /nfs/dbraw/zinc/91/09/19/1428910919.db2.gz PMVSQLKHPVWAGE-UZNMPDEFSA-N -2 1 343.343 2.731 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826299662 1425689246 /nfs/dbraw/zinc/68/92/46/1425689246.db2.gz PADNDFCWJYYLEQ-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1cc(C)cc(C2(C(=O)[N-]c3ncc(-c4nn[n-]n4)s3)CC2)c1 ZINC000822196376 1426382631 /nfs/dbraw/zinc/38/26/31/1426382631.db2.gz GZDIADUYBMHBFN-UHFFFAOYSA-N -2 1 340.412 2.610 20 0 EFADML O=C(CC=Cc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826404601 1426459585 /nfs/dbraw/zinc/45/95/85/1426459585.db2.gz GGEYSEBCZYXHEA-UPHRSURJSA-N -2 1 339.330 2.753 20 0 EFADML C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccc(Cl)c1 ZINC000819866469 1427428629 /nfs/dbraw/zinc/42/86/29/1427428629.db2.gz NCXUITGHQKDRFG-VIFPVBQESA-N -2 1 343.774 2.968 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)s1 ZINC000821486348 1427489225 /nfs/dbraw/zinc/48/92/25/1427489225.db2.gz DBPZRXNVNCIMDO-UHFFFAOYSA-N -2 1 349.441 2.600 20 0 EFADML Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000737249706 1441727794 /nfs/dbraw/zinc/72/77/94/1441727794.db2.gz BRUBRVFMJWRJKM-UHFFFAOYSA-N -2 1 343.412 2.593 20 0 EFADML O=C(C=CSCc1ccco1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826400019 1441989777 /nfs/dbraw/zinc/98/97/77/1441989777.db2.gz MZBXFIOSECUTSP-FNORWQNLSA-N -2 1 343.368 2.551 20 0 EFADML CC(C)c1nc(C=Cc2ccc(-c3nnn[n-]3)cc2)ncc1C(=O)[O-] ZINC000735938740 1442211629 /nfs/dbraw/zinc/21/16/29/1442211629.db2.gz BXAYAQHWRAZJJO-VMPITWQZSA-N -2 1 336.355 2.649 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)s2)s1 ZINC000823387750 1442338598 /nfs/dbraw/zinc/33/85/98/1442338598.db2.gz WRUOHVWWSQYQQZ-JGDUWUCISA-N -2 1 331.382 2.653 20 0 EFADML Cc1ccccc1C(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826306010 1446161873 /nfs/dbraw/zinc/16/18/73/1446161873.db2.gz OARIOTPCMDRGQR-UHFFFAOYSA-N -2 1 337.383 2.797 20 0 EFADML C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1F ZINC000820225569 1446163598 /nfs/dbraw/zinc/16/35/98/1446163598.db2.gz LPQPWQUFEMVBPH-SNVBAGLBSA-N -2 1 341.346 2.844 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823387685 1446545448 /nfs/dbraw/zinc/54/54/48/1446545448.db2.gz UKRRHFYRSBTZAF-NHYXXKRCSA-N -2 1 325.353 2.591 20 0 EFADML O=C(C=Cc1ccc(Cl)s1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826400867 1446988495 /nfs/dbraw/zinc/98/84/95/1446988495.db2.gz KCGPEHSDCOQCSJ-ZZXKWVIFSA-N -2 1 347.787 2.939 20 0 EFADML CC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(F)cc1 ZINC000819765392 1447058190 /nfs/dbraw/zinc/05/81/90/1447058190.db2.gz PIAWIQGUALXHNJ-CSKARUKUSA-N -2 1 339.330 2.753 20 0 EFADML CC(C)(F)C(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824162811 1450054681 /nfs/dbraw/zinc/05/46/81/1450054681.db2.gz OVRGYZADPGQDPP-UHFFFAOYSA-N -2 1 332.364 2.677 20 0 EFADML CC(C)(F)C(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824162811 1450054684 /nfs/dbraw/zinc/05/46/84/1450054684.db2.gz OVRGYZADPGQDPP-UHFFFAOYSA-N -2 1 332.364 2.677 20 0 EFADML O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000317106643 717712697 /nfs/dbraw/zinc/71/26/97/717712697.db2.gz BRWLMQLPXHNUED-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000909669519 725505592 /nfs/dbraw/zinc/50/55/92/725505592.db2.gz RFZYXEXTTVRQHY-SSDOTTSWSA-N -2 1 345.195 2.546 20 0 EFADML O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000908652100 727235679 /nfs/dbraw/zinc/23/56/79/727235679.db2.gz LFSYGPOKNRVDQD-NSHDSACASA-N -2 1 343.301 2.738 20 0 EFADML COc1cc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc(Cl)c1[O-] ZINC000909875319 727391179 /nfs/dbraw/zinc/39/11/79/727391179.db2.gz WIWDXVSUPJYRLP-SNVBAGLBSA-N -2 1 329.780 2.673 20 0 EFADML CC(C)C(=O)[N-][N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000045774467 728127177 /nfs/dbraw/zinc/12/71/77/728127177.db2.gz GGOMOEVZMBWMAM-UHFFFAOYSA-N -2 1 345.635 2.612 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC000901622800 728343952 /nfs/dbraw/zinc/34/39/52/728343952.db2.gz OUBVUCYECGLIRM-HTQZYQBOSA-N -2 1 328.162 2.512 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000327441116 971398794 /nfs/dbraw/zinc/39/87/94/971398794.db2.gz GTDDINXTVJCFNH-UHFFFAOYSA-N -2 1 343.383 2.884 20 0 EFADML CC(C)(C(=O)[O-])n1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC001602843531 971673025 /nfs/dbraw/zinc/67/30/25/971673025.db2.gz CDAWMAMCGKGUSV-UHFFFAOYSA-N -2 1 338.751 2.706 20 0 EFADML O=C([O-])CC1(NC(=O)c2ncc3ccccc3c2[O-])CCCCC1 ZINC001594983502 950997126 /nfs/dbraw/zinc/99/71/26/950997126.db2.gz FIZBRDBVZJXMLM-UHFFFAOYSA-N -2 1 328.368 2.848 20 0 EFADML C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001589274445 953449622 /nfs/dbraw/zinc/44/96/22/953449622.db2.gz FOIKRRCVPKDUOC-IUCAKERBSA-N -2 1 331.290 2.594 20 0 EFADML O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001594786801 953677127 /nfs/dbraw/zinc/67/71/27/953677127.db2.gz DSDFBNKTUWRKMC-QGZVFWFLSA-N -2 1 335.359 2.971 20 0 EFADML CC(C)[C@@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)C(=O)[O-] ZINC001602984125 972008471 /nfs/dbraw/zinc/00/84/71/972008471.db2.gz RJZKAUADZKOMBL-LLVKDONJSA-N -2 1 336.775 2.680 20 0 EFADML O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1c([O-])cccc1Cl ZINC001594962470 955025207 /nfs/dbraw/zinc/02/52/07/955025207.db2.gz FLUNDEWRJKUIJT-OAHLLOKOSA-N -2 1 331.755 2.870 20 0 EFADML CCOc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C)c1 ZINC000386599638 972067433 /nfs/dbraw/zinc/06/74/33/972067433.db2.gz OZDFSRXPXPFPSB-UHFFFAOYSA-N -2 1 341.410 2.954 20 0 EFADML CC[C@@H](C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000837289160 955564899 /nfs/dbraw/zinc/56/48/99/955564899.db2.gz VOMMRQGLSNSOEN-QMMMGPOBSA-N -2 1 347.845 2.944 20 0 EFADML O=C([O-])C1(NC(=O)c2c([O-])cnc3c(F)cccc32)CCCCCC1 ZINC001594721607 956974877 /nfs/dbraw/zinc/97/48/77/956974877.db2.gz OQPMQXBACZYUFT-UHFFFAOYSA-N -2 1 346.358 2.987 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)s1 ZINC000038058485 957351282 /nfs/dbraw/zinc/35/12/82/957351282.db2.gz PNQSIAAFRMRBKA-UHFFFAOYSA-N -2 1 337.300 2.664 20 0 EFADML O=C([O-])c1ccccc1CNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001574815426 957889146 /nfs/dbraw/zinc/88/91/46/957889146.db2.gz VJOFCYBCYQMBHI-UHFFFAOYSA-N -2 1 340.310 2.708 20 0 EFADML COc1cc(C(=O)Nc2ccccc2CC(=O)[O-])cc(Cl)c1[O-] ZINC001594051009 957990415 /nfs/dbraw/zinc/99/04/15/957990415.db2.gz ULLZGGJTSIQCIW-UHFFFAOYSA-N -2 1 335.743 2.934 20 0 EFADML CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Br)c([O-])c1 ZINC001573389832 958687986 /nfs/dbraw/zinc/68/79/86/958687986.db2.gz HJSVECYKHCCCJJ-JTQLQIEISA-N -2 1 330.178 2.840 20 0 EFADML CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231726753 960202859 /nfs/dbraw/zinc/20/28/59/960202859.db2.gz YTGCSHBIEAIKBK-NSHDSACASA-N -2 1 344.191 2.664 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC001198770202 960580469 /nfs/dbraw/zinc/58/04/69/960580469.db2.gz AGEIMMQKMSXSGT-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML CC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1F ZINC001198782647 960587754 /nfs/dbraw/zinc/58/77/54/960587754.db2.gz MXZDGXYDORCHDN-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML O=C([O-])C1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCCCC1 ZINC001574549685 961970528 /nfs/dbraw/zinc/97/05/28/961970528.db2.gz NCISELACGQPIQI-UHFFFAOYSA-N -2 1 331.290 2.928 20 0 EFADML Cc1cccc(C[C@H](CNC(=O)c2cccc([O-])c2F)C(=O)[O-])c1 ZINC001571196409 962316116 /nfs/dbraw/zinc/31/61/16/962316116.db2.gz MTGMVCDBIYUBIQ-CYBMUJFWSA-N -2 1 331.343 2.513 20 0 EFADML Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1C(=O)[O-] ZINC000314066156 963706835 /nfs/dbraw/zinc/70/68/35/963706835.db2.gz BHKPDQVSRLMKPM-UHFFFAOYSA-N -2 1 331.296 2.674 20 0 EFADML Cc1ccc(F)c(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c1 ZINC000316905993 964071580 /nfs/dbraw/zinc/07/15/80/964071580.db2.gz ZXFXRKUZKPOEHT-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])C1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCCCC1 ZINC001180436379 969686646 /nfs/dbraw/zinc/68/66/46/969686646.db2.gz HWCJSIUZMQWSPR-UHFFFAOYSA-N -2 1 329.356 2.552 20 0 EFADML CCOc1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1 ZINC000318531421 970442484 /nfs/dbraw/zinc/44/24/84/970442484.db2.gz JFLFWBXYIKHNSF-UHFFFAOYSA-N -2 1 341.410 2.954 20 0 EFADML Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(C)c2F)c1C(=O)[O-] ZINC000319143852 970507027 /nfs/dbraw/zinc/50/70/27/970507027.db2.gz INEKJGITLZMIMZ-UHFFFAOYSA-N -2 1 327.333 2.843 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC000320511404 970672457 /nfs/dbraw/zinc/67/24/57/970672457.db2.gz QDTSIEXCXNOCKA-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML C[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H]1C(=O)[O-] ZINC001603410731 973092546 /nfs/dbraw/zinc/09/25/46/973092546.db2.gz WZFVKZCJOLKTOS-BONVTDFDSA-N -2 1 329.352 2.576 20 0 EFADML Cc1cccc([C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C(=O)[O-])c1 ZINC001605327696 973171248 /nfs/dbraw/zinc/17/12/48/973171248.db2.gz FYPMWURAIBRGHZ-MRXNPFEDSA-N -2 1 333.771 2.839 20 0 EFADML CC[C@@H](C)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC000400361371 973266762 /nfs/dbraw/zinc/26/67/62/973266762.db2.gz AODDHOKHTZKUEI-LDYMZIIASA-N -2 1 344.205 2.774 20 0 EFADML COc1cccc([O-])c1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000404692942 973743152 /nfs/dbraw/zinc/74/31/52/973743152.db2.gz RLDQJWACWGFGJD-LLVKDONJSA-N -2 1 327.336 2.620 20 0 EFADML CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC001603600984 973847810 /nfs/dbraw/zinc/84/78/10/973847810.db2.gz DLNKZCJBYCLEPA-GOSISDBHSA-N -2 1 349.431 2.505 20 0 EFADML O=C([O-])[C@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001606445987 973893226 /nfs/dbraw/zinc/89/32/26/973893226.db2.gz ZNWKWGYCNCYCIB-VIFPVBQESA-N -2 1 334.759 2.531 20 0 EFADML C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc([O-])c(F)c1)C(=O)[O-] ZINC001592605170 978549696 /nfs/dbraw/zinc/54/96/96/978549696.db2.gz IFUUFCGPVHOICB-LBPRGKRZSA-N -2 1 331.343 2.894 20 0 EFADML C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(F)c([O-])c1)C(=O)[O-] ZINC001592606148 978553640 /nfs/dbraw/zinc/55/36/40/978553640.db2.gz USLPNUSKYIOLGL-GFCCVEGCSA-N -2 1 331.343 2.894 20 0 EFADML CC[C@](NC(=O)c1ncc(C)cc1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595277692 980307895 /nfs/dbraw/zinc/30/78/95/980307895.db2.gz YCCGLATYPNPIRZ-QGZVFWFLSA-N -2 1 348.786 2.869 20 0 EFADML CCC1(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CCC1 ZINC001595379861 980921151 /nfs/dbraw/zinc/92/11/51/980921151.db2.gz ZSSAUOVPDVKPHQ-UHFFFAOYSA-N -2 1 333.356 2.522 20 0 EFADML C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001588661089 983785765 /nfs/dbraw/zinc/78/57/65/983785765.db2.gz DODQXWYCZRNMMQ-UHFFFAOYSA-N -2 1 332.337 2.529 20 0 EFADML CCOc1cc(C(=O)NCc2ccc(C(=O)[O-])o2)cc(Cl)c1[O-] ZINC001597005329 986323671 /nfs/dbraw/zinc/32/36/71/986323671.db2.gz DRDZEMUQLQOJEE-UHFFFAOYSA-N -2 1 339.731 2.666 20 0 EFADML CC(C)(C(=O)[O-])c1csc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC001589656543 987620794 /nfs/dbraw/zinc/62/07/94/987620794.db2.gz PXFJBQRBSUYOKU-UHFFFAOYSA-N -2 1 342.323 2.741 20 0 EFADML CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001589704301 987809903 /nfs/dbraw/zinc/80/99/03/987809903.db2.gz IUNGVUCSLBMUNR-CQSZACIVSA-N -2 1 331.368 2.870 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1OC ZINC001597556385 988288840 /nfs/dbraw/zinc/28/88/40/988288840.db2.gz NDTRQPWRXGUUQP-UHFFFAOYSA-N -2 1 349.408 2.686 20 0 EFADML CCc1ccc(O)c([N-]S(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001597556820 988291471 /nfs/dbraw/zinc/29/14/71/988291471.db2.gz UMLFNPOTSIRFLJ-AWEZNQCLSA-N -2 1 349.408 2.565 20 0 EFADML CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001590423049 989971578 /nfs/dbraw/zinc/97/15/78/989971578.db2.gz ZDEVIVFUPGNPBN-UHFFFAOYSA-N -2 1 329.418 2.716 20 0 EFADML CC(C)(F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001590834221 990691267 /nfs/dbraw/zinc/69/12/67/990691267.db2.gz ZKCFVXGZLRIFCL-UHFFFAOYSA-N -2 1 341.763 2.594 20 0 EFADML COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2ccc([O-])c(F)c2)c1 ZINC001599654424 994555317 /nfs/dbraw/zinc/55/53/17/994555317.db2.gz YIWZEHZFMAGMMK-GOSISDBHSA-N -2 1 347.342 2.660 20 0 EFADML COc1cccc([O-])c1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001599680158 994966282 /nfs/dbraw/zinc/96/62/82/994966282.db2.gz CTMRPLVPAYMMQD-UHFFFAOYSA-N -2 1 347.392 2.971 20 0 EFADML C[C@H](OC(=O)Cc1ccc([O-])c(Cl)c1)c1nc(C(=O)[O-])co1 ZINC001593536898 995598790 /nfs/dbraw/zinc/59/87/90/995598790.db2.gz AWCYWKZKHDSUOK-ZETCQYMHSA-N -2 1 325.704 2.579 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001599297321 997167444 /nfs/dbraw/zinc/16/74/44/997167444.db2.gz MEXOSMNCWCLPQE-LBPRGKRZSA-N -2 1 349.408 2.822 20 0 EFADML COc1cc(C(=O)NCCc2cccc(C(=O)[O-])c2)cc(Cl)c1[O-] ZINC001599353467 998137945 /nfs/dbraw/zinc/13/79/45/998137945.db2.gz AQWSTZCYAXOSOZ-UHFFFAOYSA-N -2 1 349.770 2.725 20 0 EFADML C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)[C@H]1C ZINC001594352924 999337096 /nfs/dbraw/zinc/33/70/96/999337096.db2.gz VFRQHEHTOBBSSB-WEDXCCLWSA-N -2 1 335.809 2.734 20 0 EFADML C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001594365412 999380437 /nfs/dbraw/zinc/38/04/37/999380437.db2.gz DXRSAUPBYMNDGW-RKDXNWHRSA-N -2 1 335.809 2.736 20 0 EFADML O=C([O-])CCCc1ccccc1NCc1csc(-c2nn[n-]n2)c1 ZINC001593278846 1094262205 /nfs/dbraw/zinc/26/22/05/1094262205.db2.gz YZUMRCCMUOGAON-UHFFFAOYSA-N -2 1 343.412 2.948 20 0 EFADML O=C([O-])c1ccnc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)c1 ZINC001593283965 1094264705 /nfs/dbraw/zinc/26/47/05/1094264705.db2.gz TWYVWTXRDFWEGD-HNQUOIGGSA-N -2 1 345.721 2.923 20 0 EFADML O=C([O-])c1ccnc(C=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)c1 ZINC001593283965 1094264709 /nfs/dbraw/zinc/26/47/09/1094264709.db2.gz TWYVWTXRDFWEGD-HNQUOIGGSA-N -2 1 345.721 2.923 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)C23CC(C(=O)[O-])(C2)C3)c1 ZINC001600070819 1094752301 /nfs/dbraw/zinc/75/23/01/1094752301.db2.gz IPPNBSCWXHHXQV-UHFFFAOYSA-N -2 1 340.173 2.657 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001600184929 1094851024 /nfs/dbraw/zinc/85/10/24/1094851024.db2.gz BYLWESIWRZVDDY-ZBFHGGJFSA-N -2 1 339.347 2.556 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001600185655 1094851955 /nfs/dbraw/zinc/85/19/55/1094851955.db2.gz LWSDBECXZGGSPS-HNNXBMFYSA-N -2 1 333.384 2.524 20 0 EFADML Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001600198908 1094869486 /nfs/dbraw/zinc/86/94/86/1094869486.db2.gz RSTGKVVPQRVRKD-NEPJUHHUSA-N -2 1 344.333 2.839 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc2n[nH]cc21 ZINC001600283850 1094943501 /nfs/dbraw/zinc/94/35/01/1094943501.db2.gz GELNWAXOCRIDFN-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC001600358395 1095000900 /nfs/dbraw/zinc/00/09/00/1095000900.db2.gz YIGVZYJMLFKDLQ-UHFFFAOYSA-N -2 1 347.396 2.536 20 0 EFADML Cc1ccc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c(F)c1 ZINC001600422464 1095054571 /nfs/dbraw/zinc/05/45/71/1095054571.db2.gz YNODLKMWRCXSON-UHFFFAOYSA-N -2 1 329.374 2.836 20 0 EFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001600431481 1095061334 /nfs/dbraw/zinc/06/13/34/1095061334.db2.gz QQAOKPQRZYGFQW-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(C)n1 ZINC001600463623 1095086267 /nfs/dbraw/zinc/08/62/67/1095086267.db2.gz BSYMNDGSCAUOAP-UHFFFAOYSA-N -2 1 338.360 2.645 20 0 EFADML Cc1nc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3C)cc2o1 ZINC001600727473 1095293188 /nfs/dbraw/zinc/29/31/88/1095293188.db2.gz AKAKLMCSCPUSHG-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1ncc2ccccc2c1[O-])C1CCCCC1 ZINC001601393951 1095651804 /nfs/dbraw/zinc/65/18/04/1095651804.db2.gz DMGHGMCPCVNSTN-AWEZNQCLSA-N -2 1 328.368 2.704 20 0 EFADML O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc2c(c1)CCO2 ZINC001601397580 1095654982 /nfs/dbraw/zinc/65/49/82/1095654982.db2.gz DSOIHDKOJUFQOG-OAHLLOKOSA-N -2 1 347.754 2.536 20 0 EFADML O=C([O-])[C@H](CNC(=O)c1ncc2ccccc2c1[O-])C1CCCCC1 ZINC001601455108 1095681918 /nfs/dbraw/zinc/68/19/18/1095681918.db2.gz PADWFONVMAEKID-OAHLLOKOSA-N -2 1 342.395 2.951 20 0 EFADML O=C([O-])[C@@H](CNC(=O)c1ncc2ccccc2c1[O-])C1CCCCC1 ZINC001601455107 1095682144 /nfs/dbraw/zinc/68/21/44/1095682144.db2.gz PADWFONVMAEKID-HNNXBMFYSA-N -2 1 342.395 2.951 20 0 EFADML O=C([O-])[C@H](CNC(=O)c1ncc2ccccc2c1[O-])c1ccccc1 ZINC001601455269 1095683880 /nfs/dbraw/zinc/68/38/80/1095683880.db2.gz PMROJQDLGREBFR-OAHLLOKOSA-N -2 1 336.347 2.539 20 0 EFADML O=C([O-])[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC001601458506 1095685774 /nfs/dbraw/zinc/68/57/74/1095685774.db2.gz OCRREZFCLKSEFX-NSHDSACASA-N -2 1 337.734 2.783 20 0 EFADML O=C([O-])C1(CNC(=O)c2c([O-])cnc3c(F)cccc32)CCCCC1 ZINC001601471342 1095692057 /nfs/dbraw/zinc/69/20/57/1095692057.db2.gz CHMPHYZNUVRROV-UHFFFAOYSA-N -2 1 346.358 2.844 20 0 EFADML O=C([O-])c1cc(NC(=O)c2cncc([O-])c2)ccc1N1CCCCC1 ZINC001601606774 1095759673 /nfs/dbraw/zinc/75/96/73/1095759673.db2.gz NFIPHEPZWOUCAP-UHFFFAOYSA-N -2 1 341.367 2.728 20 0 EFADML O=C([O-])[C@H](CS(=O)(=O)[N-]c1cccc(F)c1F)c1ccccc1 ZINC001601656538 1095789666 /nfs/dbraw/zinc/78/96/66/1095789666.db2.gz JSARNNAVJWLPDW-LLVKDONJSA-N -2 1 341.335 2.575 20 0 EFADML O=C([O-])[C@]1(C(=O)Nc2ccc([O-])c(F)c2F)C[C@H]1c1ccccc1 ZINC001601702194 1095844372 /nfs/dbraw/zinc/84/43/72/1095844372.db2.gz MOSMKBPFNQYCCG-DYZYQPBXSA-N -2 1 333.290 2.867 20 0 EFADML O=C([O-])C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(Cl)c1 ZINC001601897060 1095963011 /nfs/dbraw/zinc/96/30/11/1095963011.db2.gz SPRLXKBWSCMDEB-AWEZNQCLSA-N -2 1 347.754 2.561 20 0 EFADML O=C([O-])C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccncc1 ZINC001601905105 1095969048 /nfs/dbraw/zinc/96/90/48/1095969048.db2.gz OHINBYDOYOFWEX-INIZCTEOSA-N -2 1 336.347 2.886 20 0 EFADML O=C([O-])CC1(C[N-]S(=O)(=O)c2sccc2Cl)CCCC1 ZINC001601919699 1095975001 /nfs/dbraw/zinc/97/50/01/1095975001.db2.gz AXENGLSDCZGJGJ-UHFFFAOYSA-N -2 1 337.850 2.715 20 0 EFADML O=C([O-])CCN(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)s1 ZINC001602004422 1096016581 /nfs/dbraw/zinc/01/65/81/1096016581.db2.gz DASUUZKCCYRGJT-UHFFFAOYSA-N -2 1 337.372 2.916 20 0 EFADML O=C([O-])COc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC001602090097 1096055504 /nfs/dbraw/zinc/05/55/04/1096055504.db2.gz ZJBQGLAGZLKTAI-UHFFFAOYSA-N -2 1 330.271 2.712 20 0 EFADML O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1[O-] ZINC001602104320 1096065524 /nfs/dbraw/zinc/06/55/24/1096065524.db2.gz NTKYAVZTPZSMAN-CYBMUJFWSA-N -2 1 333.771 2.861 20 0 EFADML O=C([O-])C[C@H](NC(=O)c1cncc([O-])c1)c1ccc2ccccc2c1 ZINC001602115398 1096072632 /nfs/dbraw/zinc/07/26/32/1096072632.db2.gz KOTIQCMLVIISCH-KRWDZBQOSA-N -2 1 336.347 2.886 20 0 EFADML O=C([O-])Cc1csc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC001602152490 1096093832 /nfs/dbraw/zinc/09/38/32/1096093832.db2.gz HLVUZBBQJZPCEB-UHFFFAOYSA-N -2 1 327.749 2.773 20 0 EFADML O=C([O-])Cc1sccc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001602158671 1096097946 /nfs/dbraw/zinc/09/79/46/1096097946.db2.gz XQQRUKLULMSTCK-UHFFFAOYSA-N -2 1 325.773 2.664 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@H]1C1CC1 ZINC001602186196 1096107615 /nfs/dbraw/zinc/10/76/15/1096107615.db2.gz FZPWSNIBKQGKQS-WDEREUQCSA-N -2 1 343.301 2.594 20 0 EFADML O=C([O-])c1c(F)cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1F ZINC001602223725 1096125343 /nfs/dbraw/zinc/12/53/43/1096125343.db2.gz KSCWELIKZUIVLH-UHFFFAOYSA-N -2 1 349.215 2.790 20 0 EFADML O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC001602232098 1096128893 /nfs/dbraw/zinc/12/88/93/1096128893.db2.gz NTYQEOWQGVPKMM-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]C[C@]23C[C@H]2CCCC3)c1F ZINC001602273273 1096153472 /nfs/dbraw/zinc/15/34/72/1096153472.db2.gz JLFHKRPYZIXTHH-PSLIRLAXSA-N -2 1 345.367 2.522 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)nc1 ZINC001602384294 1096217868 /nfs/dbraw/zinc/21/78/68/1096217868.db2.gz JNTIQXXJRALWDQ-FPLPWBNLSA-N -2 1 338.772 2.846 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC001602474703 1096264291 /nfs/dbraw/zinc/26/42/91/1096264291.db2.gz BRHZYJHPOZHBMY-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML O=C([O-])c1cscc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC001602565246 1096301932 /nfs/dbraw/zinc/30/19/32/1096301932.db2.gz REGRPXCMRSQBDC-UHFFFAOYSA-N -2 1 346.316 2.615 20 0 EFADML CC(C)(C(=O)[O-])c1ccc(NCc2csc(-c3nn[n-]n3)c2)cc1 ZINC001603048339 1096425016 /nfs/dbraw/zinc/42/50/16/1096425016.db2.gz FNLIXHCTGHLIDS-UHFFFAOYSA-N -2 1 343.412 2.903 20 0 EFADML C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C1CCCCC1 ZINC001604355630 1096826565 /nfs/dbraw/zinc/82/65/65/1096826565.db2.gz LOBQDJRUQCHVSO-SECBINFHSA-N -2 1 347.383 2.910 20 0 EFADML C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001604494814 1096881133 /nfs/dbraw/zinc/88/11/33/1096881133.db2.gz OYPNOGJYCKZAHL-SFHVURJKSA-N -2 1 329.352 2.578 20 0 EFADML C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CC1 ZINC001604714789 1096939196 /nfs/dbraw/zinc/93/91/96/1096939196.db2.gz BDFYZIKMWSNGRL-GXSJLCMTSA-N -2 1 347.383 2.910 20 0 EFADML CCCC[C@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC001605249743 1097067479 /nfs/dbraw/zinc/06/74/79/1097067479.db2.gz IHOBJESBSPGMGP-ZDUSSCGKSA-N -2 1 336.319 2.517 20 0 EFADML Cc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1-c1nn[nH]n1 ZINC001605823480 1097239024 /nfs/dbraw/zinc/23/90/24/1097239024.db2.gz LHNFIRZSRWRPCL-UHFFFAOYSA-N -2 1 329.747 2.786 20 0 EFADML CC(C)c1nccnc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167935702 1097347741 /nfs/dbraw/zinc/34/77/41/1097347741.db2.gz QSUYHKAAMOUUFJ-UHFFFAOYSA-N -2 1 333.328 2.685 20 0 EFADML O=P([O-])([O-])C1(Nc2cccc3nsnc32)Cc2ccccc2C1 ZINC001167936782 1097357458 /nfs/dbraw/zinc/35/74/58/1097357458.db2.gz NXJWNEZJFOZICC-UHFFFAOYSA-N -2 1 347.336 2.776 20 0 EFADML O=[P@]([O-])(O)C1(Nc2ccc3cc[nH]c3n2)Cc2ccccc2C1 ZINC001167937207 1097363856 /nfs/dbraw/zinc/36/38/56/1097363856.db2.gz UJRNCXJBIBSLRJ-UHFFFAOYSA-N -2 1 329.296 2.648 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3cc[nH]c3n2)Cc2ccccc2C1 ZINC001167937207 1097363861 /nfs/dbraw/zinc/36/38/61/1097363861.db2.gz UJRNCXJBIBSLRJ-UHFFFAOYSA-N -2 1 329.296 2.648 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC001606963234 1097481660 /nfs/dbraw/zinc/48/16/60/1097481660.db2.gz DDOBMFHZXDSUBO-LBPRGKRZSA-N -2 1 349.408 2.822 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])sc2C)cc1 ZINC001606963834 1097482260 /nfs/dbraw/zinc/48/22/60/1097482260.db2.gz WVEUWQPBICFYDW-UHFFFAOYSA-N -2 1 341.410 2.702 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)ccc1C(=O)[O-] ZINC001607190145 1097555323 /nfs/dbraw/zinc/55/53/23/1097555323.db2.gz OMYWAUXEWWUDNR-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cccc([O-])c1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001607326587 1097601262 /nfs/dbraw/zinc/60/12/62/1097601262.db2.gz LYQVGJRVBCHETG-UHFFFAOYSA-N -2 1 334.353 2.685 20 0 EFADML Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001607603094 1097672421 /nfs/dbraw/zinc/67/24/21/1097672421.db2.gz SLQSIUSNWUHCRA-UHFFFAOYSA-N -2 1 327.296 2.634 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001607633683 1097684176 /nfs/dbraw/zinc/68/41/76/1097684176.db2.gz RXRVGCPWHJHZNC-ZDUSSCGKSA-N -2 1 333.384 2.524 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cc1O ZINC001607810727 1097740072 /nfs/dbraw/zinc/74/00/72/1097740072.db2.gz KBHBRQXEWKWABQ-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(F)cc1F ZINC001607855391 1097755400 /nfs/dbraw/zinc/75/54/00/1097755400.db2.gz RZZJNFCNTJWJQP-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1cccs1 ZINC001608388263 1097909172 /nfs/dbraw/zinc/90/91/72/1097909172.db2.gz QUNLGOOGNLIRIS-LBPRGKRZSA-N -2 1 328.349 2.558 20 0 EFADML O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2ccccc2cc1[O-] ZINC001608598625 1097964559 /nfs/dbraw/zinc/96/45/59/1097964559.db2.gz BVVQGSNYAZVFHO-ZQIUZPCESA-N -2 1 325.364 2.871 20 0 EFADML O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@H]2CCC[C@@H]21 ZINC001608631965 1097971602 /nfs/dbraw/zinc/97/16/02/1097971602.db2.gz UFZHWBOCPYGIPY-BZPMIXESSA-N -2 1 337.803 2.690 20 0 EFADML O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C1CCCC1 ZINC001608674197 1097986802 /nfs/dbraw/zinc/98/68/02/1097986802.db2.gz PEVIWUAJYNAFLJ-SECBINFHSA-N -2 1 337.344 2.529 20 0 EFADML O=C([O-])C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC001608774606 1098017667 /nfs/dbraw/zinc/01/76/67/1098017667.db2.gz HXXMGLAXSCOHCL-AWEZNQCLSA-N -2 1 347.754 2.561 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c1F ZINC001608850395 1098044768 /nfs/dbraw/zinc/04/47/68/1098044768.db2.gz PTYDQPRPGIDGPS-LBPRGKRZSA-N -2 1 345.367 2.664 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CC2CCC=CCC2)c1F ZINC001608850536 1098045165 /nfs/dbraw/zinc/04/51/65/1098045165.db2.gz VEFXKTQBLHIPCA-UHFFFAOYSA-N -2 1 345.367 2.688 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCC=CCC2)oc1Cl ZINC001608861040 1098047548 /nfs/dbraw/zinc/04/75/48/1098047548.db2.gz MLJBHXYYOZQZCL-UHFFFAOYSA-N -2 1 333.793 2.656 20 0 EFADML O=C([O-])c1cc2c(cc1NC(=O)c1cccc([O-])c1F)OCCCO2 ZINC001608863947 1098048634 /nfs/dbraw/zinc/04/86/34/1098048634.db2.gz BOENOSQPYYHLJF-UHFFFAOYSA-N -2 1 347.298 2.643 20 0 EFADML O=C([O-])c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)s1 ZINC001608875746 1098053977 /nfs/dbraw/zinc/05/39/77/1098053977.db2.gz RWQPNSIBDZTDBF-UHFFFAOYSA-N -2 1 329.337 2.794 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2F)s1 ZINC001608905331 1098066587 /nfs/dbraw/zinc/06/65/87/1098066587.db2.gz QSHBUJIOXQFBKI-BQYQJAHWSA-N -2 1 327.358 2.998 20 0 EFADML O=C([O-])c1ccc(O)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001608905546 1098066914 /nfs/dbraw/zinc/06/69/14/1098066914.db2.gz FPPNJXCYOPBUFE-UHFFFAOYSA-N -2 1 347.392 2.770 20 0 EFADML O=C([O-])c1nccc2c1cccc2S(=O)(=O)[N-]c1cccc(F)c1 ZINC001609000076 1098105651 /nfs/dbraw/zinc/10/56/51/1098105651.db2.gz IJJQERJMUCAHMG-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=Cc1ccc(-c2ccc([O-])c(C(=O)NCCCCCC(=O)[O-])c2)o1 ZINC001609048887 1098120537 /nfs/dbraw/zinc/12/05/37/1098120537.db2.gz VFFXCUMOUAGXOY-UHFFFAOYSA-N -2 1 345.351 2.840 20 0 EFADML C[C@H](CC(=O)[O-])c1ccc(NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001609108588 1098150325 /nfs/dbraw/zinc/15/03/25/1098150325.db2.gz DRKRHNZLAKMMSO-SECBINFHSA-N -2 1 344.400 2.514 20 0 EFADML C[C@H](CC(=O)[O-])c1ccc(NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001609108588 1098150326 /nfs/dbraw/zinc/15/03/26/1098150326.db2.gz DRKRHNZLAKMMSO-SECBINFHSA-N -2 1 344.400 2.514 20 0 EFADML C[C@@]1([N-]S(=O)(=O)c2sccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC001609825175 1098469617 /nfs/dbraw/zinc/46/96/17/1098469617.db2.gz QWAHLDCGZZWOPU-QPUJVOFHSA-N -2 1 337.850 2.713 20 0 EFADML C[C@@]1([N-]S(=O)(=O)c2c(F)cccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001609825557 1098469815 /nfs/dbraw/zinc/46/98/15/1098469815.db2.gz YZJNRPVEKNDLGA-YMTOWFKASA-N -2 1 349.811 2.791 20 0 EFADML CC[C@](C)([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC001609896895 1098487643 /nfs/dbraw/zinc/48/76/43/1098487643.db2.gz FRBKLWCRWXCZHS-NSHDSACASA-N -2 1 344.191 2.664 20 0 EFADML CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC001610077605 1098541814 /nfs/dbraw/zinc/54/18/14/1098541814.db2.gz NTJQRQDCUOAQST-UHFFFAOYSA-N -2 1 327.333 2.789 20 0 EFADML COc1c(C)ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1C ZINC001610279172 1098597862 /nfs/dbraw/zinc/59/78/62/1098597862.db2.gz SENWYDXPOVYVIS-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)[nH]nc1C(C)C ZINC001610447178 1098683717 /nfs/dbraw/zinc/68/37/17/1098683717.db2.gz LITZHVQZZKWOLT-UHFFFAOYSA-N -2 1 337.401 2.649 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC001610490267 1098708584 /nfs/dbraw/zinc/70/85/84/1098708584.db2.gz KVMZDNANVGKELW-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c(C(=O)[O-])c1 ZINC001610513937 1098724796 /nfs/dbraw/zinc/72/47/96/1098724796.db2.gz ZFRBNRNXMURCOH-UHFFFAOYSA-N -2 1 337.401 2.515 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(Cl)c(F)c1 ZINC001610679099 1098822279 /nfs/dbraw/zinc/82/22/79/1098822279.db2.gz KTGYWBBDGXFUNA-ZDUSSCGKSA-N -2 1 341.697 2.880 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC001610796781 1098895430 /nfs/dbraw/zinc/89/54/30/1098895430.db2.gz LZNPUDRZLMFJOJ-UHFFFAOYSA-N -2 1 331.393 2.992 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(-c2cn[nH]c2)c1 ZINC001610853337 1098937931 /nfs/dbraw/zinc/93/79/31/1098937931.db2.gz DLEMFAZVVWLJLS-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)c1c([O-])cc(F)cc1F ZINC001610878995 1098953329 /nfs/dbraw/zinc/95/33/29/1098953329.db2.gz QXZNJRYCSDFEIA-ZDUSSCGKSA-N -2 1 340.253 2.662 20 0 EFADML Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc(F)ccc1[O-] ZINC001633709378 1100560607 /nfs/dbraw/zinc/56/06/07/1100560607.db2.gz AWJGHVNBRJZHPF-UHFFFAOYSA-N -2 1 328.303 2.583 20 0 EFADML O=C(Nc1[nH][nH]c2cc(=O)ccc1-2)c1cc(Br)ccc1O ZINC001637290291 1100770700 /nfs/dbraw/zinc/77/07/00/1100770700.db2.gz WNVYQTSVZVZWEZ-UHFFFAOYSA-N -2 1 348.156 2.989 20 0 EFADML C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000037463832 213148542 /nfs/dbraw/zinc/14/85/42/213148542.db2.gz IIYCHXIQKUBIDL-YFKPBYRVSA-N -2 1 346.619 2.788 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C(=O)[O-] ZINC000078677308 217100736 /nfs/dbraw/zinc/10/07/36/217100736.db2.gz YNOCEXRVJABPGE-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc1 ZINC000425980522 247221576 /nfs/dbraw/zinc/22/15/76/247221576.db2.gz NWZRDOJZDCLIBJ-UHFFFAOYSA-N -2 1 345.376 2.705 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1C(=O)[O-] ZINC000442850316 250129247 /nfs/dbraw/zinc/12/92/47/250129247.db2.gz PDNOZRVMIJSMBX-UHFFFAOYSA-N -2 1 347.348 2.940 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1 ZINC000442840751 250130623 /nfs/dbraw/zinc/13/06/23/250130623.db2.gz DRDLNBRCNDGLCM-UHFFFAOYSA-N -2 1 331.349 2.861 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000444417368 250297933 /nfs/dbraw/zinc/29/79/33/250297933.db2.gz CVQBQONVSXZKLN-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000356706819 304248502 /nfs/dbraw/zinc/24/85/02/304248502.db2.gz NSKJMQHBUHNLGD-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000097444781 219025643 /nfs/dbraw/zinc/02/56/43/219025643.db2.gz RVRDJGNTCRUPJV-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)cc1C(=O)[O-] ZINC000322024876 141494943 /nfs/dbraw/zinc/49/49/43/141494943.db2.gz UULBQKBKSSBZDJ-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2ccc(C(=O)[O-])cc2)[n-]c1=O ZINC000347480138 142223819 /nfs/dbraw/zinc/22/38/19/142223819.db2.gz HRECUKBCMQKBTL-CSKARUKUSA-N -2 1 328.324 2.618 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1C(=O)[O-] ZINC000349973609 142385028 /nfs/dbraw/zinc/38/50/28/142385028.db2.gz NVKQZCYIGJBUQB-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000342278968 145092259 /nfs/dbraw/zinc/09/22/59/145092259.db2.gz MBUDZSVRPOZHHT-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML CSc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357010711 147399021 /nfs/dbraw/zinc/39/90/21/147399021.db2.gz BRBFTMFCKYQPPA-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML CC(C)C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC000232592167 265435922 /nfs/dbraw/zinc/43/59/22/265435922.db2.gz ALMNGPDIDIJDMF-JTQLQIEISA-N -2 1 344.205 2.631 20 0 EFADML CCOC(=O)c1ccc([N-]S(=O)(=O)C2=CCCCC2)c(O)c1 ZINC000294254217 295136098 /nfs/dbraw/zinc/13/60/98/295136098.db2.gz QEOGXKLTJMXDGG-UHFFFAOYSA-N -2 1 325.386 2.769 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1C(=O)[O-] ZINC000531768161 317310335 /nfs/dbraw/zinc/31/03/35/317310335.db2.gz GRHQWIUNIQRGQA-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC(C)(CC[N-]S(=O)(=O)c1cc2ccccc2o1)CCC(=O)[O-] ZINC000547614302 318021613 /nfs/dbraw/zinc/02/16/13/318021613.db2.gz JZZPZLQPUIAAFN-UHFFFAOYSA-N -2 1 339.413 2.992 20 0 EFADML C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000547935491 318053978 /nfs/dbraw/zinc/05/39/78/318053978.db2.gz GHOKOKDATYVKIE-NEPJUHHUSA-N -2 1 339.413 2.991 20 0 EFADML CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000548260827 318086965 /nfs/dbraw/zinc/08/69/65/318086965.db2.gz SGSYOQJYJUCAJB-JOYOIKCWSA-N -2 1 335.372 2.523 20 0 EFADML C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cccc(F)c2F)(CC(=O)[O-])C1 ZINC000548548324 318118589 /nfs/dbraw/zinc/11/85/89/318118589.db2.gz DCVKQVVGAXWULR-ZUZCIYMTSA-N -2 1 347.383 2.524 20 0 EFADML C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548548786 318118669 /nfs/dbraw/zinc/11/86/69/318118669.db2.gz GEQGYADYBGVDPK-CZUORRHYSA-N -2 1 337.397 2.745 20 0 EFADML CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000556702509 318400933 /nfs/dbraw/zinc/40/09/33/318400933.db2.gz WPUSAEUYLOCTSJ-SKDRFNHKSA-N -2 1 343.376 2.740 20 0 EFADML C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000565936607 319015996 /nfs/dbraw/zinc/01/59/96/319015996.db2.gz MCFFOZLQORQTEQ-ZETCQYMHSA-N -2 1 325.839 2.569 20 0 EFADML C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl ZINC000569443711 319380793 /nfs/dbraw/zinc/38/07/93/319380793.db2.gz QAOMWVODOOLBKA-MRVPVSSYSA-N -2 1 325.839 2.713 20 0 EFADML C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000578417419 320203687 /nfs/dbraw/zinc/20/36/87/320203687.db2.gz YDHDPXNKCKSLKL-SECBINFHSA-N -2 1 343.376 2.740 20 0 EFADML C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000388111321 323768666 /nfs/dbraw/zinc/76/86/66/323768666.db2.gz XHYBIXQFFCTHPR-UWVGGRQHSA-N -2 1 335.372 2.523 20 0 EFADML O=C([O-])CCN(C(=O)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000579079430 323876128 /nfs/dbraw/zinc/87/61/28/323876128.db2.gz FAMBZKPMNIRCSE-UHFFFAOYSA-N -2 1 343.379 2.641 20 0 EFADML CC[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000581987544 324494262 /nfs/dbraw/zinc/49/42/62/324494262.db2.gz JHDSYAJRBKZXTC-QMMMGPOBSA-N -2 1 333.818 2.696 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)ccc1F ZINC000013278612 471824450 /nfs/dbraw/zinc/82/44/50/471824450.db2.gz HPGSRAIREBWIFJ-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000024433358 472054946 /nfs/dbraw/zinc/05/49/46/472054946.db2.gz DQIPOXVMBSPGIV-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000026547508 472142065 /nfs/dbraw/zinc/14/20/65/472142065.db2.gz NMKLJYAXGFOCBD-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000055546837 472202566 /nfs/dbraw/zinc/20/25/66/472202566.db2.gz YNCPSPHFXKZLHU-UHFFFAOYSA-N -2 1 331.393 2.983 20 0 EFADML CO[C@@H](CS(=O)(=O)[N-]c1cccc(F)c1[O-])C1CCCCC1 ZINC000629327810 480219063 /nfs/dbraw/zinc/21/90/63/480219063.db2.gz XWPMQPCAOWNEEQ-AWEZNQCLSA-N -2 1 331.409 2.868 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1Cl ZINC000032585671 472443755 /nfs/dbraw/zinc/44/37/55/472443755.db2.gz RKMXNMYBKZMOBE-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)[O-] ZINC000071837532 472579593 /nfs/dbraw/zinc/57/95/93/472579593.db2.gz ZNSWCAKRHMWDDX-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1Cl ZINC000059768091 472629112 /nfs/dbraw/zinc/62/91/12/472629112.db2.gz ZLQFCRXJHFHHDQ-UHFFFAOYSA-N -2 1 336.756 2.711 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1C(=O)[O-] ZINC000078001520 472650980 /nfs/dbraw/zinc/65/09/80/472650980.db2.gz FDEKSNVABIQXMI-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000047202345 472669715 /nfs/dbraw/zinc/66/97/15/472669715.db2.gz LRTRUOUHMSIFJK-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000047202317 472669763 /nfs/dbraw/zinc/66/97/63/472669763.db2.gz HKIQMJQCJCSZPS-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000047496144 472721003 /nfs/dbraw/zinc/72/10/03/472721003.db2.gz HPKGWSKHLHZYKL-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML Cc1n[n-]c(=S)n1CCNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000080030149 472963752 /nfs/dbraw/zinc/96/37/52/472963752.db2.gz NFMMQNWUKUNOND-UHFFFAOYSA-N -2 1 347.227 2.692 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC000171658114 473432517 /nfs/dbraw/zinc/43/25/17/473432517.db2.gz FJAPXYBFFIRPOS-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC000263540179 473771294 /nfs/dbraw/zinc/77/12/94/473771294.db2.gz CDRTUDXINZOSBD-VIFPVBQESA-N -2 1 344.191 2.520 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193358766 473783810 /nfs/dbraw/zinc/78/38/10/473783810.db2.gz FQZRVKLHHXSYDT-UHFFFAOYSA-N -2 1 330.365 2.560 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193361167 473784013 /nfs/dbraw/zinc/78/40/13/473784013.db2.gz ISTRSDZKZQTSPM-UHFFFAOYSA-N -2 1 330.365 2.560 20 0 EFADML C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)CC(=O)[O-] ZINC000274992161 474034093 /nfs/dbraw/zinc/03/40/93/474034093.db2.gz KYHGDHZTAKNPML-LURJTMIESA-N -2 1 346.257 2.834 20 0 EFADML CCC(CC)(CNC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC000232942748 474267174 /nfs/dbraw/zinc/26/71/74/474267174.db2.gz DMQLFYWIBSZGCZ-UHFFFAOYSA-N -2 1 344.205 2.776 20 0 EFADML C[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)C(=O)[O-] ZINC000184656129 474575667 /nfs/dbraw/zinc/57/56/67/474575667.db2.gz OROIXDJQFBEIBY-LLVKDONJSA-N -2 1 337.372 2.890 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1 ZINC000340786878 474667193 /nfs/dbraw/zinc/66/71/93/474667193.db2.gz LJELLZDKXMRBHC-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1 ZINC000340907368 474768030 /nfs/dbraw/zinc/76/80/30/474768030.db2.gz XBAATRRZHBMBBN-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000306078132 474805645 /nfs/dbraw/zinc/80/56/45/474805645.db2.gz BGPXNYPIVFBVHM-UHFFFAOYSA-N -2 1 346.257 2.834 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1C(=O)[O-] ZINC000315394414 474870700 /nfs/dbraw/zinc/87/07/00/474870700.db2.gz ADCKPQAGSLHQMN-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000315374382 474871922 /nfs/dbraw/zinc/87/19/22/474871922.db2.gz OBEKSZAOFCYOTJ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CCOc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000315613314 474873458 /nfs/dbraw/zinc/87/34/58/474873458.db2.gz RFFNNRRENWHUHW-UHFFFAOYSA-N -2 1 344.776 2.566 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000319952015 474906250 /nfs/dbraw/zinc/90/62/50/474906250.db2.gz HOZMQNXFUWXADB-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000320289027 474909479 /nfs/dbraw/zinc/90/94/79/474909479.db2.gz YBRQUPLEEIEDSO-UHFFFAOYSA-N -2 1 333.365 2.778 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000320758283 474917667 /nfs/dbraw/zinc/91/76/67/474917667.db2.gz YATCMKHKAVHRMQ-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML C/C=C\c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000341064307 474935659 /nfs/dbraw/zinc/93/56/59/474935659.db2.gz MCYQHVSTYLOVMV-IHWYPQMZSA-N -2 1 333.365 2.924 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1C(=O)[O-] ZINC000323193341 474945612 /nfs/dbraw/zinc/94/56/12/474945612.db2.gz DATOWEABYHATGN-UHFFFAOYSA-N -2 1 335.381 2.762 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000323828845 474955141 /nfs/dbraw/zinc/95/51/41/474955141.db2.gz QDNDMEFYJXMEHN-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C ZINC000324073456 474959941 /nfs/dbraw/zinc/95/99/41/474959941.db2.gz YIIXUCTVXWQWMM-UHFFFAOYSA-N -2 1 333.409 2.985 20 0 EFADML CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000620576939 480138728 /nfs/dbraw/zinc/13/87/28/480138728.db2.gz JUUJRHSSDRSGGQ-WDEREUQCSA-N -2 1 330.388 2.538 20 0 EFADML Cc1cc(C(=O)N2CCC[C@@]2(C)CC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000296235912 475232366 /nfs/dbraw/zinc/23/23/66/475232366.db2.gz PQDZGJJJUNEMBS-SFHVURJKSA-N -2 1 344.415 2.785 20 0 EFADML CSc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000337754222 475297011 /nfs/dbraw/zinc/29/70/11/475297011.db2.gz KTNPEOWEMZBWLP-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)cc1C ZINC000354970875 475568402 /nfs/dbraw/zinc/56/84/02/475568402.db2.gz BZGAYZQUZBFTAL-UHFFFAOYSA-N -2 1 349.364 2.531 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)ccc1F ZINC000346882386 475936777 /nfs/dbraw/zinc/93/67/77/475936777.db2.gz WMGYOSDNQHRJPL-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000362238608 476103225 /nfs/dbraw/zinc/10/32/25/476103225.db2.gz VZWQAYRAHNBZJW-LLVKDONJSA-N -2 1 335.372 2.523 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000336875248 476159464 /nfs/dbraw/zinc/15/94/64/476159464.db2.gz CWNGTBXPVUIWGK-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)ccc1C(=O)[O-] ZINC000336875315 476159996 /nfs/dbraw/zinc/15/99/96/476159996.db2.gz FGOFVLBUVSMOAV-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML CSc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000357027829 476168236 /nfs/dbraw/zinc/16/82/36/476168236.db2.gz NPPFCQFVLPEGLS-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML CCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1F ZINC000350512235 476222624 /nfs/dbraw/zinc/22/26/24/476222624.db2.gz HOBLIXQDLNQSIW-UHFFFAOYSA-N -2 1 339.344 2.593 20 0 EFADML CCOc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)ccc1C ZINC000357101288 476232983 /nfs/dbraw/zinc/23/29/83/476232983.db2.gz HCAQEOLBZJNRMC-UHFFFAOYSA-N -2 1 349.408 2.822 20 0 EFADML CCOCc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000360863256 476435870 /nfs/dbraw/zinc/43/58/70/476435870.db2.gz ZZXRWAFRZJVDSN-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(C)c1F ZINC000361006651 476538154 /nfs/dbraw/zinc/53/81/54/476538154.db2.gz JFMRFSMGUIZKIV-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CSc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1 ZINC000357876176 476665287 /nfs/dbraw/zinc/66/52/87/476665287.db2.gz XCKHSNCILAQKBA-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000424242660 477338824 /nfs/dbraw/zinc/33/88/24/477338824.db2.gz FCHTYTHBSUZRRN-TVQRCGJNSA-N -2 1 341.791 2.770 20 0 EFADML COc1cc(C)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1C ZINC000435730935 477361169 /nfs/dbraw/zinc/36/11/69/477361169.db2.gz HERXRHGDCZWYQN-UHFFFAOYSA-N -2 1 341.410 2.873 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c1 ZINC000372343794 477764326 /nfs/dbraw/zinc/76/43/26/477764326.db2.gz DOXYHPPFRFUSQV-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(F)cc1[O-] ZINC000421162279 477990581 /nfs/dbraw/zinc/99/05/81/477990581.db2.gz ZEFQXOILGOEDQX-CQSZACIVSA-N -2 1 339.388 2.531 20 0 EFADML CC1(C)CC[C@@]([N-]S(=O)(=O)c2cc3ccccc3o2)(C(=O)[O-])C1 ZINC000560417282 478072651 /nfs/dbraw/zinc/07/26/51/478072651.db2.gz MAQATLUMKSZNFX-INIZCTEOSA-N -2 1 337.397 2.745 20 0 EFADML Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000562400347 478243950 /nfs/dbraw/zinc/24/39/50/478243950.db2.gz KVCFWLHXMGCCMS-UHFFFAOYSA-N -2 1 349.431 2.505 20 0 EFADML CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(OC)c1OC ZINC000581645582 478407887 /nfs/dbraw/zinc/40/78/87/478407887.db2.gz IQVXMKJWVUWOEW-LLVKDONJSA-N -2 1 345.417 2.722 20 0 EFADML CC(C)C[C@H](C[N-]S(=O)(=O)c1sccc1Cl)CC(=O)[O-] ZINC000583796653 478943127 /nfs/dbraw/zinc/94/31/27/478943127.db2.gz DLMIMYZHRNUEEQ-VIFPVBQESA-N -2 1 339.866 2.817 20 0 EFADML Cc1sc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)nc1C(=O)[O-] ZINC000649386457 482055391 /nfs/dbraw/zinc/05/53/91/482055391.db2.gz KDMBCQCQGGAUOV-UHFFFAOYSA-N -2 1 346.408 2.955 20 0 EFADML CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C)cc(F)c1C(=O)[O-] ZINC000663265348 482142699 /nfs/dbraw/zinc/14/26/99/482142699.db2.gz DBNUAYJVMPMYSJ-NSHDSACASA-N -2 1 347.408 2.635 20 0 EFADML CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C)cc(F)c1C(=O)[O-] ZINC000663265347 482143099 /nfs/dbraw/zinc/14/30/99/482143099.db2.gz DBNUAYJVMPMYSJ-LLVKDONJSA-N -2 1 347.408 2.635 20 0 EFADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000087844858 527639162 /nfs/dbraw/zinc/63/91/62/527639162.db2.gz WWBOSHSJMIIPSM-UHFFFAOYSA-N -2 1 325.773 2.768 20 0 EFADML CCn1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1C(=O)[O-] ZINC000325118891 545822320 /nfs/dbraw/zinc/82/23/20/545822320.db2.gz RFUSSUFHJLIMIP-UHFFFAOYSA-N -2 1 348.424 2.886 20 0 EFADML CO[C@H](CS(=O)(=O)[N-]c1ccc(F)cc1[O-])C1CCCCC1 ZINC000656626024 546868293 /nfs/dbraw/zinc/86/82/93/546868293.db2.gz KUZGBGRAIRPZHI-OAHLLOKOSA-N -2 1 331.409 2.868 20 0 EFADML CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000657142245 547043417 /nfs/dbraw/zinc/04/34/17/547043417.db2.gz BPAVDXOGWNAONO-RNCFNFMXSA-N -2 1 347.383 2.523 20 0 EFADML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000674336459 548066054 /nfs/dbraw/zinc/06/60/54/548066054.db2.gz OZHVUVMFDKNMAF-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000762442862 576303132 /nfs/dbraw/zinc/30/31/32/576303132.db2.gz GWDYDEFURPWSSW-UHFFFAOYSA-N -2 1 345.420 2.993 20 0 EFADML CCOC(=O)c1c[n-]c(NC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000585682443 577241696 /nfs/dbraw/zinc/24/16/96/577241696.db2.gz RZJZMDAFNOSFGS-UHFFFAOYSA-N -2 1 344.154 2.851 20 0 EFADML O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000220206628 599806330 /nfs/dbraw/zinc/80/63/30/599806330.db2.gz IOMKINVQLSRPJI-KRWDZBQOSA-N -2 1 335.359 2.971 20 0 EFADML CCOc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1C ZINC000737191992 600100441 /nfs/dbraw/zinc/10/04/41/600100441.db2.gz MWSOYYNVPBWYSZ-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML Cc1cc(NC(=O)c2cc(Br)ccc2[O-])c(C(=O)[O-])[nH]1 ZINC000235862083 600250867 /nfs/dbraw/zinc/25/08/67/600250867.db2.gz SJRDGCZFZKQBQH-UHFFFAOYSA-N -2 1 339.145 2.742 20 0 EFADML O=C([O-])CCSCc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000739753223 600363317 /nfs/dbraw/zinc/36/33/17/600363317.db2.gz HQSULIUGUZUZJC-UHFFFAOYSA-N -2 1 332.381 2.747 20 0 EFADML O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000739722618 600489033 /nfs/dbraw/zinc/48/90/33/600489033.db2.gz WHFOWARMNQPOBG-CQSZACIVSA-N -2 1 343.379 2.641 20 0 EFADML O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000739722613 600489037 /nfs/dbraw/zinc/48/90/37/600489037.db2.gz WHFOWARMNQPOBG-AWEZNQCLSA-N -2 1 343.379 2.641 20 0 EFADML CCC(CC)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000094240553 600791014 /nfs/dbraw/zinc/79/10/14/600791014.db2.gz LAXUNKICFKNBIN-UHFFFAOYSA-N -2 1 346.257 2.977 20 0 EFADML COc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c([O-])c1 ZINC000325352940 600851578 /nfs/dbraw/zinc/85/15/78/600851578.db2.gz NEEJBQJOQVPDLY-LLVKDONJSA-N -2 1 327.336 2.620 20 0 EFADML O=C([O-])c1ccnc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000316229466 600982021 /nfs/dbraw/zinc/98/20/21/600982021.db2.gz PAFYIPVYQBEYJV-SOFGYWHQSA-N -2 1 338.772 2.846 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000832993967 601287416 /nfs/dbraw/zinc/28/74/16/601287416.db2.gz MMFSZWYLBLWQIQ-UHFFFAOYSA-N -2 1 344.371 2.634 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1O ZINC000323098591 601331920 /nfs/dbraw/zinc/33/19/20/601331920.db2.gz ZTHWWMFUNJUFEG-UITAMQMPSA-N -2 1 333.365 2.599 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c1 ZINC000833334154 601362037 /nfs/dbraw/zinc/36/20/37/601362037.db2.gz LPFRGZULQZWQIG-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])cc21 ZINC000833055591 601860406 /nfs/dbraw/zinc/86/04/06/601860406.db2.gz GODCWNUKASUKKO-UHFFFAOYSA-N -2 1 348.355 2.816 20 0 EFADML Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832906503 601861938 /nfs/dbraw/zinc/86/19/38/601861938.db2.gz IVKBJWIKINPGKN-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CCCCc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)[nH]n1 ZINC000829430770 602103066 /nfs/dbraw/zinc/10/30/66/602103066.db2.gz OJNAGSAVURPFJE-UHFFFAOYSA-N -2 1 337.401 2.560 20 0 EFADML CCCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)[nH]n1 ZINC000388341455 602305273 /nfs/dbraw/zinc/30/52/73/602305273.db2.gz NBCOCPKDTKHZSS-UHFFFAOYSA-N -2 1 343.792 2.515 20 0 EFADML Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000832888622 604642629 /nfs/dbraw/zinc/64/26/29/604642629.db2.gz YUIKOVIYVJKWEQ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000833725615 605042210 /nfs/dbraw/zinc/04/22/10/605042210.db2.gz BFYBQRHZHYYVHH-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nn[n-]n3)s2)s1 ZINC000823387752 606196146 /nfs/dbraw/zinc/19/61/46/606196146.db2.gz WRUOHVWWSQYQQZ-SXUARNTMSA-N -2 1 331.382 2.653 20 0 EFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000743261117 1270494398 /nfs/dbraw/zinc/49/43/98/1270494398.db2.gz BJHUVKZSCXWZNH-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CCCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000844150046 1278774608 /nfs/dbraw/zinc/77/46/08/1278774608.db2.gz GWZOQOZWXOLMNY-MRXNPFEDSA-N -2 1 342.395 2.608 20 0 EFADML O=C([O-])CCc1cccc(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000786615966 1275453384 /nfs/dbraw/zinc/45/33/84/1275453384.db2.gz XATPROPFPXBOEY-UHFFFAOYSA-N -2 1 337.335 2.605 20 0 EFADML O=C([O-])c1cc(Nc2nc[n-]c(=O)c2Br)ccc1F ZINC001175216867 1287358076 /nfs/dbraw/zinc/35/80/76/1287358076.db2.gz FZUBWYPZQXISGX-UHFFFAOYSA-N -2 1 328.097 2.526 20 0 EFADML Cn1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1CC(=O)[O-] ZINC001177370178 1288405569 /nfs/dbraw/zinc/40/55/69/1288405569.db2.gz IKOWXCLBMYCBKX-UHFFFAOYSA-N -2 1 342.273 2.629 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3C)c2)cc1C(=O)[O-] ZINC001184696159 1290495039 /nfs/dbraw/zinc/49/50/39/1290495039.db2.gz PZSPMKJLDQARTR-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML CC(C)(C)OC(=O)c1ccc(NS(=O)(=O)C2CCC2)c(O)c1 ZINC001188144147 1291318880 /nfs/dbraw/zinc/31/88/80/1291318880.db2.gz HNSDEXMGHILLGS-UHFFFAOYSA-N -2 1 327.402 2.642 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C ZINC001192139309 1292807602 /nfs/dbraw/zinc/80/76/02/1292807602.db2.gz NUODYMBXAYQUDI-UHFFFAOYSA-N -2 1 349.408 2.822 20 0 EFADML O=C(Nc1nc(Br)ccc1[O-])c1ccc(F)c([O-])c1F ZINC001193770008 1293442097 /nfs/dbraw/zinc/44/20/97/1293442097.db2.gz LEQQVEAMDVLVRD-UHFFFAOYSA-N -2 1 345.099 2.786 20 0 EFADML CC(C)(C)c1nnc([N-]C(=O)c2c([O-])c(F)c(F)c(F)c2F)o1 ZINC001195277186 1293872653 /nfs/dbraw/zinc/87/26/53/1293872653.db2.gz DRDYAOXCQUTRRT-UHFFFAOYSA-N -2 1 333.241 2.881 20 0 EFADML O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc(Cl)ncc1[O-] ZINC001197567841 1294613327 /nfs/dbraw/zinc/61/33/27/1294613327.db2.gz PWBKOGJWKYFNLG-UHFFFAOYSA-N -2 1 334.731 2.661 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2cnccc21 ZINC001198730386 1295210006 /nfs/dbraw/zinc/21/00/06/1295210006.db2.gz LTTWYALSDRETRA-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML CN1CCCc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc21 ZINC000776434947 1298728293 /nfs/dbraw/zinc/72/82/93/1298728293.db2.gz SBLRIKIGLGWTCS-UHFFFAOYSA-N -2 1 346.408 2.568 20 0 EFADML O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)CC1CCCC1 ZINC000776552508 1299447128 /nfs/dbraw/zinc/44/71/28/1299447128.db2.gz NPAWSDCMCSFZHL-LLVKDONJSA-N -2 1 347.383 2.524 20 0 EFADML Cc1ncn(C)c1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869432 1316374921 /nfs/dbraw/zinc/37/49/21/1316374921.db2.gz RCIUSNLRAPFHOO-UHFFFAOYSA-N -2 1 336.200 2.542 20 0 EFADML Cc1c(F)cc(C(=O)[O-])cc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001210007436 1314270825 /nfs/dbraw/zinc/27/08/25/1314270825.db2.gz OOETWIAYJFKDNN-UHFFFAOYSA-N -2 1 339.344 2.685 20 0 EFADML COC(=O)c1nc2cc(-c3cc(OC)cc(C(=O)[O-])c3)ccc2[n-]1 ZINC001244175485 1314358836 /nfs/dbraw/zinc/35/88/36/1314358836.db2.gz BTERZFBCKZUWOY-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML COC(=O)c1nc2ccc(-c3cc(OC)cc(C(=O)[O-])c3)cc2[n-]1 ZINC001244175485 1314358838 /nfs/dbraw/zinc/35/88/38/1314358838.db2.gz BTERZFBCKZUWOY-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML COC(=O)c1nc2ccc(-c3cc(C)c(C(=O)[O-])c(C)c3)nc2[n-]1 ZINC001244948727 1314429193 /nfs/dbraw/zinc/42/91/93/1314429193.db2.gz OAUGALJKWRDZEL-UHFFFAOYSA-N -2 1 325.324 2.678 20 0 EFADML O=c1cc(CCC2CCCC2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245936715 1314552057 /nfs/dbraw/zinc/55/20/57/1314552057.db2.gz DYXSGDWSPAGPQM-UHFFFAOYSA-N -2 1 336.413 2.947 20 0 EFADML O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001215459248 1314838208 /nfs/dbraw/zinc/83/82/08/1314838208.db2.gz DITXFSIKFXESFT-UHFFFAOYSA-N -2 1 328.256 2.589 20 0 EFADML Nc1[nH]c(=S)[n-]c(=O)c1Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001215641413 1314862762 /nfs/dbraw/zinc/86/27/62/1314862762.db2.gz MNJOVEGXTYBFHE-UHFFFAOYSA-N -2 1 346.290 2.514 20 0 EFADML O=C([O-])Cc1ccc(F)c([N-]c2nnc(Br)s2)c1 ZINC001216677452 1314991822 /nfs/dbraw/zinc/99/18/22/1314991822.db2.gz WLVKGFDFODPJNM-UHFFFAOYSA-N -2 1 332.154 2.810 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1F ZINC000749142886 1315096623 /nfs/dbraw/zinc/09/66/23/1315096623.db2.gz SOOGFLFBZWBYGI-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML COC(=O)c1ccc([O-])c([N-]S(=O)(=O)/C=C/c2ccccc2)c1 ZINC001253032291 1315558523 /nfs/dbraw/zinc/55/85/23/1315558523.db2.gz DBRQDDUMZFTPAN-MDZDMXLPSA-N -2 1 333.365 2.591 20 0 EFADML COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([S-])cc2)c1 ZINC001254425361 1315703200 /nfs/dbraw/zinc/70/32/00/1315703200.db2.gz MEECUCXTMMIHPF-UHFFFAOYSA-N -2 1 325.411 2.793 20 0 EFADML O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]C2CCCCCC2)c1 ZINC000389579747 1316218484 /nfs/dbraw/zinc/21/84/84/1316218484.db2.gz DSMCAQMYQVCNKQ-UHFFFAOYSA-N -2 1 333.356 2.664 20 0 EFADML Cc1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001260183913 1316320761 /nfs/dbraw/zinc/32/07/61/1316320761.db2.gz HZALANYYYBHDPH-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3ccncc3c2)c1 ZINC001260189584 1316321160 /nfs/dbraw/zinc/32/11/60/1316321160.db2.gz NLKWPLLVTZKPFD-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C ZINC001260190916 1316321948 /nfs/dbraw/zinc/32/19/48/1316321948.db2.gz MNKKXYLALCBODN-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c3cnccc23)c1 ZINC001260190099 1316321957 /nfs/dbraw/zinc/32/19/57/1316321957.db2.gz AOECQEDYLRSXFC-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260227363 1316324428 /nfs/dbraw/zinc/32/44/28/1316324428.db2.gz FFNYYYQNOFMVTB-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)ccn1 ZINC001260868727 1316374874 /nfs/dbraw/zinc/37/48/74/1316374874.db2.gz HDXCNRMQLGJXFV-UHFFFAOYSA-N -2 1 349.195 2.903 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000826461356 1428995120 /nfs/dbraw/zinc/99/51/20/1428995120.db2.gz RAOQOJAKIBTZNL-SFECMWDFSA-N -2 1 325.353 2.591 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccc(-n2cccc2)c1 ZINC000823294956 1429396906 /nfs/dbraw/zinc/39/69/06/1429396906.db2.gz ZHDHLNQCZSSNTC-UHFFFAOYSA-N -2 1 346.350 2.615 20 0 EFADML CC(C)c1nc(C=Cc2ccc(-c3nnn[n-]3)s2)ncc1C(=O)[O-] ZINC000820203416 1423372066 /nfs/dbraw/zinc/37/20/66/1423372066.db2.gz UITHQOJPUVOTRF-GQCTYLIASA-N -2 1 342.384 2.710 20 0 EFADML Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000103059415 1423870550 /nfs/dbraw/zinc/87/05/50/1423870550.db2.gz ATFSUTUCZHHVNZ-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000184498369 1423918731 /nfs/dbraw/zinc/91/87/31/1423918731.db2.gz YCDBVGQCGJDKGG-UHFFFAOYSA-N -2 1 347.737 2.541 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC000826450754 1424161950 /nfs/dbraw/zinc/16/19/50/1424161950.db2.gz CHZARVOHWYVQQP-UHFFFAOYSA-N -2 1 339.399 2.727 20 0 EFADML O=C(Cc1ccc(F)cc1Cl)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823082227 1427685195 /nfs/dbraw/zinc/68/51/95/1427685195.db2.gz DUFSQGNMYHKNFK-UHFFFAOYSA-N -2 1 347.737 2.546 20 0 EFADML C[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824522421 1427832242 /nfs/dbraw/zinc/83/22/42/1427832242.db2.gz SKBKHECMKDBGTH-SECBINFHSA-N -2 1 343.774 2.717 20 0 EFADML CC[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820914552 1430001295 /nfs/dbraw/zinc/00/12/95/1430001295.db2.gz OWVLCCNOVQOQDX-CYBMUJFWSA-N -2 1 337.383 2.780 20 0 EFADML O=C(C=Cc1ccc(Cl)cc1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826399843 1441598864 /nfs/dbraw/zinc/59/88/64/1441598864.db2.gz HQTAKMGPMWDIDI-BAQGIRSFSA-N -2 1 341.758 2.878 20 0 EFADML CCc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)ccc1C ZINC000825700308 1441668375 /nfs/dbraw/zinc/66/83/75/1441668375.db2.gz AADXGAGAOOVEAS-UHFFFAOYSA-N -2 1 343.412 2.538 20 0 EFADML O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)ccc1O ZINC000826402529 1442094642 /nfs/dbraw/zinc/09/46/42/1442094642.db2.gz WJBILBVAWQANPI-YVMONPNESA-N -2 1 341.758 2.878 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])[C@@H]1CCCc2ccccc21 ZINC000826450824 1443107893 /nfs/dbraw/zinc/10/78/93/1443107893.db2.gz FLNVGEQKVZJKII-CQSZACIVSA-N -2 1 335.367 2.631 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(Cl)cc1F ZINC000823294510 1443172329 /nfs/dbraw/zinc/17/23/29/1443172329.db2.gz DVFOLCFWAJHLLY-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2C)sc1C ZINC000826278658 1443574351 /nfs/dbraw/zinc/57/43/51/1443574351.db2.gz NDTRGVJPARMSFO-UHFFFAOYSA-N -2 1 349.441 2.654 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825717454 1443678843 /nfs/dbraw/zinc/67/88/43/1443678843.db2.gz LRXUELXIZRJYDP-UHFFFAOYSA-N -2 1 343.412 2.538 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(-c2ccccc2)[nH]1 ZINC000823294752 1443982067 /nfs/dbraw/zinc/98/20/67/1443982067.db2.gz QBUFDQZFJLWKRJ-UHFFFAOYSA-N -2 1 346.350 2.820 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000826461454 1443999826 /nfs/dbraw/zinc/99/98/26/1443999826.db2.gz VSIYRRXGCVFNOL-JGJYBARTSA-N -2 1 343.343 2.731 20 0 EFADML CC(C)c1nc(C=Cc2cccc(-c3nnn[n-]3)c2)ncc1C(=O)[O-] ZINC000735939487 1449107497 /nfs/dbraw/zinc/10/74/97/1449107497.db2.gz JPFNRUMFYBUVBM-SREVYHEPSA-N -2 1 336.355 2.649 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)s2)s1 ZINC000823387751 1449970419 /nfs/dbraw/zinc/97/04/19/1449970419.db2.gz WRUOHVWWSQYQQZ-JGJYBARTSA-N -2 1 331.382 2.653 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1F ZINC000180022019 718796896 /nfs/dbraw/zinc/79/68/96/718796896.db2.gz AXVUJONULJKQFP-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)ccc1C(=O)[O-] ZINC000319052515 720568985 /nfs/dbraw/zinc/56/89/85/720568985.db2.gz VCJITTLLIXBWSV-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML O=C([O-])CCC1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000909439760 723224838 /nfs/dbraw/zinc/22/48/38/723224838.db2.gz OLSMASCVWYHSHG-UHFFFAOYSA-N -2 1 346.358 2.797 20 0 EFADML CCOc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc(Cl)c1[O-] ZINC000909458153 723416248 /nfs/dbraw/zinc/41/62/48/723416248.db2.gz MLPTYWLSDYVAMB-VIFPVBQESA-N -2 1 341.791 2.770 20 0 EFADML O=C([O-])CCN(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000908877415 727279679 /nfs/dbraw/zinc/27/96/79/727279679.db2.gz IQRXYOSYBIUPMX-UHFFFAOYSA-N -2 1 331.290 2.738 20 0 EFADML C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC000909782428 727377225 /nfs/dbraw/zinc/37/72/25/727377225.db2.gz RYOXFUDEHYCZNM-LDYMZIIASA-N -2 1 331.290 2.736 20 0 EFADML CCC[C@@H](CNC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC000909813159 727382488 /nfs/dbraw/zinc/38/24/88/727382488.db2.gz IJNXPORCFAXMEY-VIFPVBQESA-N -2 1 329.780 2.675 20 0 EFADML O=C([O-])[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])[C@@H]2CCC[C@H]21 ZINC000910249281 727423759 /nfs/dbraw/zinc/42/37/59/727423759.db2.gz XBONVQWNNSGTHN-RRFJBIMHSA-N -2 1 340.379 2.656 20 0 EFADML C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231726780 728634540 /nfs/dbraw/zinc/63/45/40/728634540.db2.gz UUFVEJVOIIIVJQ-ZCFIWIBFSA-N -2 1 344.191 2.522 20 0 EFADML Cc1cnc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c([O-])c1 ZINC001611215564 970939020 /nfs/dbraw/zinc/93/90/20/970939020.db2.gz GPBPPADAXQSKTJ-UHFFFAOYSA-N -2 1 340.379 2.814 20 0 EFADML O=C([O-])C[C@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001611407796 971033668 /nfs/dbraw/zinc/03/36/68/971033668.db2.gz WRKBBPZZLRQXFA-SNVBAGLBSA-N -2 1 348.786 2.921 20 0 EFADML O=C([O-])CC[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001595011809 951248620 /nfs/dbraw/zinc/24/86/20/951248620.db2.gz WUAKBLJZEINIOQ-LBPRGKRZSA-N -2 1 340.807 2.975 20 0 EFADML O=C([O-])c1cc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)[nH]n1 ZINC001594801529 953740584 /nfs/dbraw/zinc/74/05/84/953740584.db2.gz FUTVHQVKJMXYGW-UHFFFAOYSA-N -2 1 331.715 2.872 20 0 EFADML O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(F)cc1 ZINC001594842389 954090260 /nfs/dbraw/zinc/09/02/60/954090260.db2.gz HYABPQINTDAWDK-CYBMUJFWSA-N -2 1 341.260 2.999 20 0 EFADML O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(F)cc1 ZINC001594842390 954090827 /nfs/dbraw/zinc/09/08/27/954090827.db2.gz HYABPQINTDAWDK-ZDUSSCGKSA-N -2 1 341.260 2.999 20 0 EFADML C[C@](CNC(=O)c1c([O-])cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589059814 955719830 /nfs/dbraw/zinc/71/98/30/955719830.db2.gz GWNNWQDAMPRLBF-QGZVFWFLSA-N -2 1 333.771 2.818 20 0 EFADML O=C([O-])[C@@H]1C[C@H](NC(=O)c2ncc3ccccc3c2[O-])c2ccccc21 ZINC001594731615 957044757 /nfs/dbraw/zinc/04/47/57/957044757.db2.gz ZAHBEKIIEVPXKJ-CVEARBPZSA-N -2 1 348.358 2.983 20 0 EFADML O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ncc3ccccc3c2[O-])c2ccccc21 ZINC001594731617 957045608 /nfs/dbraw/zinc/04/56/08/957045608.db2.gz ZAHBEKIIEVPXKJ-HZPDHXFCSA-N -2 1 348.358 2.983 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2F)c(F)cc1F ZINC000047383324 957454869 /nfs/dbraw/zinc/45/48/69/957454869.db2.gz IZRPGCWYARFIFZ-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001594288480 957799198 /nfs/dbraw/zinc/79/91/98/957799198.db2.gz RMSMGQMPPVDMJV-UHFFFAOYSA-N -2 1 337.335 2.837 20 0 EFADML O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000390557850 972293544 /nfs/dbraw/zinc/29/35/44/972293544.db2.gz LXIOLARWSPGNLA-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML O=C([O-])c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])ccn1 ZINC001574791120 957809805 /nfs/dbraw/zinc/80/98/05/957809805.db2.gz JVKJFMPYEACJLZ-UHFFFAOYSA-N -2 1 326.230 2.757 20 0 EFADML O=C([O-])c1cc(NC(=O)c2cncc([O-])c2)ccc1Br ZINC000132338839 958782632 /nfs/dbraw/zinc/78/26/32/958782632.db2.gz KTJQSJRMCSXRNQ-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML CC(C)(C)CC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(=O)[O-] ZINC001588650958 959766600 /nfs/dbraw/zinc/76/66/00/959766600.db2.gz SPYUWCZDMJNPGR-LBPRGKRZSA-N -2 1 327.808 2.984 20 0 EFADML CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231726750 960202718 /nfs/dbraw/zinc/20/27/18/960202718.db2.gz YTGCSHBIEAIKBK-LLVKDONJSA-N -2 1 344.191 2.664 20 0 EFADML CC(C)(C)CN(CC(=O)[O-])C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001588653927 960405355 /nfs/dbraw/zinc/40/53/55/960405355.db2.gz IBLSBJNBPOEBKA-UHFFFAOYSA-N -2 1 334.347 2.652 20 0 EFADML CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2O1 ZINC001198779533 960583633 /nfs/dbraw/zinc/58/36/33/960583633.db2.gz QQLJQIUDVJBUAE-UHFFFAOYSA-N -2 1 349.364 2.693 20 0 EFADML O=C([O-])c1coc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c1 ZINC001571195969 962310116 /nfs/dbraw/zinc/31/01/16/962310116.db2.gz OFAMRRTWPBNOGG-UHFFFAOYSA-N -2 1 331.221 2.664 20 0 EFADML O=C([O-])[C@@H]1CC[C@H](NC(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001571227654 962599716 /nfs/dbraw/zinc/59/97/16/962599716.db2.gz CLAFHCZXWCOAMD-SCZZXKLOSA-N -2 1 334.759 2.577 20 0 EFADML O=C([O-])CCC1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC001574692402 962650231 /nfs/dbraw/zinc/65/02/31/962650231.db2.gz ZTLSFEKESPCPJN-UHFFFAOYSA-N -2 1 325.792 2.692 20 0 EFADML N#Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC000307919566 963239226 /nfs/dbraw/zinc/23/92/26/963239226.db2.gz ZACMNGMKJCSBJC-FPYGCLRLSA-N -2 1 346.339 2.596 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2)ccc1C(=O)[O-] ZINC000313940088 963693587 /nfs/dbraw/zinc/69/35/87/963693587.db2.gz IIEKHSPJYOBGQR-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000315272995 963872930 /nfs/dbraw/zinc/87/29/30/963872930.db2.gz SMZDSKMSNYGOFC-LBPRGKRZSA-N -2 1 337.681 2.525 20 0 EFADML CC(C)C[C@@H](CNC(=O)NCc1ccc([O-])c(Cl)c1)C(=O)[O-] ZINC000874404498 969383969 /nfs/dbraw/zinc/38/39/69/969383969.db2.gz HBLWPJGUIUNTIH-NSHDSACASA-N -2 1 328.796 2.592 20 0 EFADML O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC001605840391 972579706 /nfs/dbraw/zinc/57/97/06/972579706.db2.gz YCNLDBUMTIZORC-NKWVEPMBSA-N -2 1 348.580 2.857 20 0 EFADML C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001603389106 973000800 /nfs/dbraw/zinc/00/08/00/973000800.db2.gz XGLGOWWHYPDSGV-CMPLNLGQSA-N -2 1 329.352 2.576 20 0 EFADML C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001603389107 973001040 /nfs/dbraw/zinc/00/10/40/973001040.db2.gz XGLGOWWHYPDSGV-JQWIXIFHSA-N -2 1 329.352 2.576 20 0 EFADML C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1C(=O)[O-] ZINC001603409032 973080593 /nfs/dbraw/zinc/08/05/93/973080593.db2.gz FUKNPTBZGIJFKU-QPUJVOFHSA-N -2 1 331.290 2.736 20 0 EFADML O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001606086377 973247433 /nfs/dbraw/zinc/24/74/33/973247433.db2.gz KKSOTIZOKHFCOK-GFCCVEGCSA-N -2 1 329.352 2.720 20 0 EFADML CC[C@@H](C)C[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)[O-] ZINC000400373544 973268366 /nfs/dbraw/zinc/26/83/66/973268366.db2.gz HTMHLTOJZFTLEM-LDYMZIIASA-N -2 1 344.205 2.774 20 0 EFADML O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001606128170 973372216 /nfs/dbraw/zinc/37/22/16/973372216.db2.gz AIJVYPIHSWQVRP-LBPRGKRZSA-N -2 1 343.379 2.968 20 0 EFADML COc1cc(C(=O)NCc2cccc(C(=O)[O-])c2)cc(Cl)c1[O-] ZINC001604686570 973883440 /nfs/dbraw/zinc/88/34/40/973883440.db2.gz KLOBZYNWENYTOD-UHFFFAOYSA-N -2 1 335.743 2.682 20 0 EFADML C[C@H](CCC1CC1)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001592477299 978242131 /nfs/dbraw/zinc/24/21/31/978242131.db2.gz KACHEDVAXRXCLK-MRVPVSSYSA-N -2 1 333.356 2.520 20 0 EFADML C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc([O-])c1F)C(=O)[O-] ZINC001592606229 978553810 /nfs/dbraw/zinc/55/38/10/978553810.db2.gz WWVPNVWHZSOSHV-LBPRGKRZSA-N -2 1 331.343 2.894 20 0 EFADML C[C@](CNC(=O)c1cc(Cl)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001592694248 979147384 /nfs/dbraw/zinc/14/73/84/979147384.db2.gz OVINEXDLCHUBDU-QGZVFWFLSA-N -2 1 333.771 2.818 20 0 EFADML C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(C)(C)C ZINC001592722688 979225805 /nfs/dbraw/zinc/22/58/05/979225805.db2.gz KELOQMBKISJIFH-QMMMGPOBSA-N -2 1 335.372 2.624 20 0 EFADML CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl ZINC001595057971 979305303 /nfs/dbraw/zinc/30/53/03/979305303.db2.gz XECYPWOTGMYEQN-UHFFFAOYSA-N -2 1 325.839 2.713 20 0 EFADML CC(F)(F)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001592943401 980013801 /nfs/dbraw/zinc/01/38/01/980013801.db2.gz JHACANPCJUPDPI-UHFFFAOYSA-N -2 1 348.154 2.625 20 0 EFADML CCOc1cc(C(=O)NC2(CC(=O)[O-])CCCC2)cc(Cl)c1[O-] ZINC000902768419 980944108 /nfs/dbraw/zinc/94/41/08/980944108.db2.gz NYHIJZUFEKSNME-UHFFFAOYSA-N -2 1 341.791 2.962 20 0 EFADML CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001595455660 981124508 /nfs/dbraw/zinc/12/45/08/981124508.db2.gz NKGXHOAKTSTTLL-VHSXEESVSA-N -2 1 347.383 2.768 20 0 EFADML CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)C1CCC1 ZINC001595600855 981584497 /nfs/dbraw/zinc/58/44/97/981584497.db2.gz OVOBQOUSLOXAMI-JTQLQIEISA-N -2 1 335.809 2.878 20 0 EFADML CCCCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001595797548 982607559 /nfs/dbraw/zinc/60/75/59/982607559.db2.gz ZCMWRBQUCPONIO-UHFFFAOYSA-N -2 1 334.397 2.923 20 0 EFADML CC[C@@H](C)C[C@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)[O-] ZINC001594944836 982628575 /nfs/dbraw/zinc/62/85/75/982628575.db2.gz JKGGDEKRIPLQOS-SKDRFNHKSA-N -2 1 334.347 2.699 20 0 EFADML CCCc1c(C(=O)Nc2nc(Cl)ccc2[O-])[nH]c(C)c1C(=O)[O-] ZINC001596047483 983342778 /nfs/dbraw/zinc/34/27/78/983342778.db2.gz XMJDICWUTJLHRF-UHFFFAOYSA-N -2 1 337.763 2.980 20 0 EFADML CCN(C(=O)c1cc(SC)ccc1[O-])c1ncc(C(=O)[O-])s1 ZINC001596165238 983529089 /nfs/dbraw/zinc/52/90/89/983529089.db2.gz MJKVJJHNFBZNSR-UHFFFAOYSA-N -2 1 338.410 2.936 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2csc(C(=O)[O-])c2)[n-]c1=O ZINC001596734544 985017209 /nfs/dbraw/zinc/01/72/09/985017209.db2.gz CGBCITVUQLRASS-YWEYNIOJSA-N -2 1 334.353 2.679 20 0 EFADML C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@]1(C)C(=O)[O-] ZINC001599925789 985197628 /nfs/dbraw/zinc/19/76/28/985197628.db2.gz QIACLFYVNASOHM-RTHLEPHNSA-N -2 1 331.290 2.594 20 0 EFADML CCc1[nH]c(C(=O)NCc2ccc([O-])c(Cl)c2)c(C)c1C(=O)[O-] ZINC001597369496 987555082 /nfs/dbraw/zinc/55/50/82/987555082.db2.gz XIKLCHNNPUJNOM-UHFFFAOYSA-N -2 1 336.775 2.873 20 0 EFADML CC(C)(C)Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)[nH]n1 ZINC001589789166 988175051 /nfs/dbraw/zinc/17/50/51/988175051.db2.gz RDLZKLDRXITJOH-UHFFFAOYSA-N -2 1 343.430 2.559 20 0 EFADML CCc1cccc(S(=O)(=O)[N-]c2ncc(C(=O)[O-])cc2Cl)c1 ZINC001597600611 988453674 /nfs/dbraw/zinc/45/36/74/988453674.db2.gz ICJKXFUMVZOLQA-UHFFFAOYSA-N -2 1 340.788 2.796 20 0 EFADML CSc1ccc([O-])c(C(=O)Nc2c(C)nn(CCC(=O)[O-])c2C)c1 ZINC001599819808 988492554 /nfs/dbraw/zinc/49/25/54/988492554.db2.gz ITSRPQNQUTWPMF-UHFFFAOYSA-N -2 1 349.412 2.654 20 0 EFADML CSc1ncc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])c(=O)[n-]1 ZINC001599828976 988641214 /nfs/dbraw/zinc/64/12/14/988641214.db2.gz IJVJAFIKBGWLBC-UHFFFAOYSA-N -2 1 339.398 2.533 20 0 EFADML CCc1nc(S[C@H](Cc2ccc(F)cc2)C(=O)[O-])[n-]c(=O)c1C ZINC001597689131 988857402 /nfs/dbraw/zinc/85/74/02/988857402.db2.gz FOTQXVBHFJYXLI-CYBMUJFWSA-N -2 1 336.388 2.980 20 0 EFADML CC(C)(CS(=O)(=O)[N-]c1ccccc1OC1CCCC1)C(=O)[O-] ZINC001590812170 990643203 /nfs/dbraw/zinc/64/32/03/990643203.db2.gz JCVBUDRYPXJIHS-UHFFFAOYSA-N -2 1 341.429 2.861 20 0 EFADML COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001599656553 994590347 /nfs/dbraw/zinc/59/03/47/994590347.db2.gz GCISMBGBZDBNHY-INIZCTEOSA-N -2 1 347.342 2.838 20 0 EFADML C[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ncc(C(=O)[O-])s1 ZINC001593289767 994666169 /nfs/dbraw/zinc/66/61/69/994666169.db2.gz XDSBFIFFINPWHN-QMMMGPOBSA-N -2 1 346.364 2.504 20 0 EFADML C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)[C@@]12C[C@@H]1CCCC2 ZINC001593327373 994887910 /nfs/dbraw/zinc/88/79/10/994887910.db2.gz ZGHJNTBAHIALMU-UINNMSKDSA-N -2 1 347.820 2.878 20 0 EFADML CC1(C)C(C)(C)C1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001593830997 996574654 /nfs/dbraw/zinc/57/46/54/996574654.db2.gz PNLOMLPVURMSGX-UHFFFAOYSA-N -2 1 335.809 2.734 20 0 EFADML COc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c([O-])c1 ZINC001599487744 996882801 /nfs/dbraw/zinc/88/28/01/996882801.db2.gz WXVLPENCUODXTI-UHFFFAOYSA-N -2 1 336.369 2.931 20 0 EFADML COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC001599280811 996896260 /nfs/dbraw/zinc/89/62/60/996896260.db2.gz JQCBPFABTJBYIU-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML COc1cc(C)cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1C ZINC001599393288 997079050 /nfs/dbraw/zinc/07/90/50/997079050.db2.gz APNCZMAKRPZOEP-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML C[C@@]1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)CC1(Cl)Cl ZINC001594038830 997643896 /nfs/dbraw/zinc/64/38/96/997643896.db2.gz GKYWAMXEEUTHRM-VIFPVBQESA-N -2 1 344.241 2.772 20 0 EFADML C[C@@]1(NC(=O)c2c([O-])cnc3c(F)cccc32)CCCC[C@@H]1C(=O)[O-] ZINC001594055689 997788683 /nfs/dbraw/zinc/78/86/83/997788683.db2.gz IFULWZJBVDGLKV-ADLMAVQZSA-N -2 1 346.358 2.843 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)ccc1C(=O)[O-] ZINC001599459952 998254686 /nfs/dbraw/zinc/25/46/86/998254686.db2.gz QCIKGPOGVIBBDM-UHFFFAOYSA-N -2 1 346.364 2.676 20 0 EFADML C[C@@H]1CC[C@]([N-]C(=O)C(F)(F)C(F)F)(C(=O)[O-])c2ccccc21 ZINC001594324512 999252190 /nfs/dbraw/zinc/25/21/90/999252190.db2.gz ZSTWQPQBDROXED-XLKFXECMSA-N -2 1 333.281 2.880 20 0 EFADML C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001594365405 999380529 /nfs/dbraw/zinc/38/05/29/999380529.db2.gz DXRSAUPBYMNDGW-BDAKNGLRSA-N -2 1 335.809 2.736 20 0 EFADML CC1(C)CN(C(=O)c2ccc(-c3nn[nH]n3)c(O)c2)c2ccccc21 ZINC001590101753 1093268215 /nfs/dbraw/zinc/26/82/15/1093268215.db2.gz FMZPHUMEQSVROH-UHFFFAOYSA-N -2 1 335.367 2.510 20 0 EFADML Cc1c(C(=O)[O-])sc2[n-]c([C@@H]3COc4ccccc4O3)nc(=O)c12 ZINC001600002493 1094711333 /nfs/dbraw/zinc/71/13/33/1094711333.db2.gz PTPSYQNUBVORLU-JTQLQIEISA-N -2 1 344.348 2.504 20 0 EFADML Cc1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)c(C(F)(F)F)o1 ZINC001600101214 1094771178 /nfs/dbraw/zinc/77/11/78/1094771178.db2.gz LGEODISZCJEKJG-UHFFFAOYSA-N -2 1 349.290 2.728 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC001600186022 1094851167 /nfs/dbraw/zinc/85/11/67/1094851167.db2.gz NSQQQGMCYGNQEB-DZKIICNBSA-N -2 1 345.395 2.619 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC001600184933 1094852524 /nfs/dbraw/zinc/85/25/24/1094852524.db2.gz CABPVTJMRVVUNK-INIZCTEOSA-N -2 1 341.363 2.849 20 0 EFADML Cc1cc(CNC(=O)NCc2ccc([O-])c(Cl)c2)oc1C(=O)[O-] ZINC001600201913 1094873149 /nfs/dbraw/zinc/87/31/49/1094873149.db2.gz PKKMZNLPWCDRQI-UHFFFAOYSA-N -2 1 338.747 2.645 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)cc1C(=O)[O-] ZINC001600308088 1094958867 /nfs/dbraw/zinc/95/88/67/1094958867.db2.gz YMPPGTVTNJKCHN-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001600482904 1095097579 /nfs/dbraw/zinc/09/75/79/1095097579.db2.gz MAJGZKCLEFZAAR-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ncccc2Cl)c1C(=O)[O-] ZINC001600550332 1095156714 /nfs/dbraw/zinc/15/67/14/1095156714.db2.gz FCBMQNBOCHHAHE-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001600688771 1095262167 /nfs/dbraw/zinc/26/21/67/1095262167.db2.gz UOZDWUABODJLPL-UHFFFAOYSA-N -2 1 341.367 2.515 20 0 EFADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F ZINC001600836750 1095369806 /nfs/dbraw/zinc/36/98/06/1095369806.db2.gz QBJASAOBEFMUHB-JTQLQIEISA-N -2 1 343.323 2.542 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1c([O-])cccc1Cl)c1cc(F)ccc1F ZINC001601397292 1095655033 /nfs/dbraw/zinc/65/50/33/1095655033.db2.gz PNCFMLCDCHSEJM-ZDUSSCGKSA-N -2 1 341.697 2.880 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccc(O)c1 ZINC001601397479 1095655072 /nfs/dbraw/zinc/65/50/72/1095655072.db2.gz LXQDHWXZNWJXHF-INIZCTEOSA-N -2 1 337.331 2.807 20 0 EFADML O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001601406758 1095661344 /nfs/dbraw/zinc/66/13/44/1095661344.db2.gz QBUSPSMPADTLPN-SSDOTTSWSA-N -2 1 345.195 2.546 20 0 EFADML O=C([O-])[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1ccsc1 ZINC001601406137 1095661448 /nfs/dbraw/zinc/66/14/48/1095661448.db2.gz POWUIAKPQBQNSN-CQSZACIVSA-N -2 1 343.360 2.868 20 0 EFADML O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1cc2ccccc2cc1[O-] ZINC001601405841 1095661516 /nfs/dbraw/zinc/66/15/16/1095661516.db2.gz FGVQCHHFVAPKNC-NSHDSACASA-N -2 1 327.258 2.681 20 0 EFADML O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1c(F)ccc([O-])c1F ZINC001601416217 1095665900 /nfs/dbraw/zinc/66/59/00/1095665900.db2.gz RAVBPXBVPLQOLH-LLVKDONJSA-N -2 1 327.327 2.824 20 0 EFADML O=C([O-])[C@H](CC1CCOCC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001601414344 1095666313 /nfs/dbraw/zinc/66/63/13/1095666313.db2.gz WZELKZDHKGKDTF-INIZCTEOSA-N -2 1 343.379 2.545 20 0 EFADML O=C([O-])C1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCCC1 ZINC001601470866 1095691733 /nfs/dbraw/zinc/69/17/33/1095691733.db2.gz QAIZSHFXGKZSPB-UHFFFAOYSA-N -2 1 331.290 2.786 20 0 EFADML O=C([O-])C1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CCCC1 ZINC001601470673 1095691830 /nfs/dbraw/zinc/69/18/30/1095691830.db2.gz DAHSJFJJPCXHPV-UHFFFAOYSA-N -2 1 329.352 2.626 20 0 EFADML O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)c1c([O-])cccc1Cl ZINC001601568256 1095735520 /nfs/dbraw/zinc/73/55/20/1095735520.db2.gz XGPREJKQJCWCGV-GFCCVEGCSA-N -2 1 337.734 2.610 20 0 EFADML O=C([O-])c1cc(NC(=O)c2ccc(O)cc2[O-])cc(Cl)c1F ZINC001601590355 1095746966 /nfs/dbraw/zinc/74/69/66/1095746966.db2.gz WXMAKLARMHZFAX-UHFFFAOYSA-N -2 1 325.679 2.841 20 0 EFADML O=C([O-])c1cc(NC(=O)c2ccc([O-])cn2)ccc1N1CCCCC1 ZINC001601606817 1095758829 /nfs/dbraw/zinc/75/88/29/1095758829.db2.gz OUYDTKNHYXWSMY-UHFFFAOYSA-N -2 1 341.367 2.728 20 0 EFADML O=C([O-])[C@]1(C(=O)NCc2ccc([O-])c(Cl)c2)C[C@@H]1c1ccccc1 ZINC001601701297 1095842295 /nfs/dbraw/zinc/84/22/95/1095842295.db2.gz KOTULENXUGFVKP-FZKQIMNGSA-N -2 1 345.782 2.920 20 0 EFADML O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC001601804020 1095909156 /nfs/dbraw/zinc/90/91/56/1095909156.db2.gz KMFKYJVQOZEWCQ-DTWKUNHWSA-N -2 1 342.189 2.984 20 0 EFADML O=C([O-])CCN(CC(=O)[O-])Cc1ccc(-c2cccc(F)c2)s1 ZINC001602005194 1096019149 /nfs/dbraw/zinc/01/91/49/1096019149.db2.gz WIZLPUSPRJZMFO-UHFFFAOYSA-N -2 1 337.372 2.916 20 0 EFADML O=C([O-])CCc1nnc([N-]C(=O)c2ccc(F)c(Cl)c2F)s1 ZINC001602048951 1096037645 /nfs/dbraw/zinc/03/76/45/1096037645.db2.gz MPYGILLOOLVHTE-UHFFFAOYSA-N -2 1 347.730 2.739 20 0 EFADML O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cc(F)ccc1[O-] ZINC001602058261 1096046139 /nfs/dbraw/zinc/04/61/39/1096046139.db2.gz MSKLFAYXAMCHNV-UHFFFAOYSA-N -2 1 337.734 2.912 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)C[C@@H]1c1ccccc1 ZINC001602185372 1096107566 /nfs/dbraw/zinc/10/75/66/1096107566.db2.gz FQOKMKJLQSBAIQ-VXGBXAGGSA-N -2 1 347.317 2.611 20 0 EFADML O=C([O-])c1cc(CSc2nc(-c3ccccc3)cc(=O)[n-]2)on1 ZINC001602261564 1096147695 /nfs/dbraw/zinc/14/76/95/1096147695.db2.gz ZTCSZWHHVSPHJW-UHFFFAOYSA-N -2 1 329.337 2.828 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCCC3(CC3)C2)c1F ZINC001602273653 1096153934 /nfs/dbraw/zinc/15/39/34/1096153934.db2.gz PLLWHLPEKLMTCW-JTQLQIEISA-N -2 1 345.367 2.664 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CCC[C@H]2C=CCC2)c1F ZINC001602273472 1096154144 /nfs/dbraw/zinc/15/41/44/1096154144.db2.gz NFACHXFUXCDMII-JTQLQIEISA-N -2 1 345.367 2.688 20 0 EFADML O=C([O-])c1cccc2c1CN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC001602459155 1096256113 /nfs/dbraw/zinc/25/61/13/1096256113.db2.gz LWPOQUPGEXBZGF-UHFFFAOYSA-N -2 1 331.755 2.942 20 0 EFADML O=C([O-])c1cnc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cn1 ZINC001602507365 1096273525 /nfs/dbraw/zinc/27/35/25/1096273525.db2.gz YXWPMULNGGQTKM-UHFFFAOYSA-N -2 1 342.380 2.821 20 0 EFADML O=Cc1ccc(-c2ccc([O-])c(C(=O)NC3(CC(=O)[O-])CCC3)c2)o1 ZINC001602665559 1096342292 /nfs/dbraw/zinc/34/22/92/1096342292.db2.gz IBGKPEDTKOSGOE-UHFFFAOYSA-N -2 1 343.335 2.592 20 0 EFADML CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604941593 1096984908 /nfs/dbraw/zinc/98/49/08/1096984908.db2.gz AWMRJWUROVMJJP-IUCAKERBSA-N -2 1 335.372 2.766 20 0 EFADML CC[C@H](CS(=O)(=O)[N-]c1c(C(=O)[O-])ccc2ccccc21)OC ZINC001605054610 1097011520 /nfs/dbraw/zinc/01/15/20/1097011520.db2.gz KIDYYAZGGZEWND-GFCCVEGCSA-N -2 1 337.397 2.705 20 0 EFADML CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605255554 1097069684 /nfs/dbraw/zinc/06/96/84/1097069684.db2.gz WVXTVABDHZGJBZ-SECBINFHSA-N -2 1 335.372 2.910 20 0 EFADML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(N(C)C)c1 ZINC001605826999 1097241540 /nfs/dbraw/zinc/24/15/40/1097241540.db2.gz KWPOLJXLHZBNBI-UHFFFAOYSA-N -2 1 348.424 2.814 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3[nH]cnc3c2F)Cc2ccccc2C1 ZINC001167940535 1097401177 /nfs/dbraw/zinc/40/11/77/1097401177.db2.gz YSFMUGKAOPDLLC-UHFFFAOYSA-N -2 1 347.286 2.787 20 0 EFADML O=P([O-])([O-])C1(Nc2cccc3cnoc32)Cc2ccccc2C1 ZINC001167940424 1097402379 /nfs/dbraw/zinc/40/23/79/1097402379.db2.gz VZIYKCKHAVKLAY-UHFFFAOYSA-N -2 1 330.280 2.913 20 0 EFADML COC(=O)c1c[n-]c(S[C@@H](C(=O)[O-])c2c(F)cccc2Cl)n1 ZINC001606533026 1097415359 /nfs/dbraw/zinc/41/53/59/1097415359.db2.gz YOPKWIVLVXIQMO-SNVBAGLBSA-N -2 1 344.751 2.907 20 0 EFADML COc1c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cccc1C(=O)[O-] ZINC001607048832 1097502996 /nfs/dbraw/zinc/50/29/96/1097502996.db2.gz CDDVARPSOFJYDN-DZGCQCFKSA-N -2 1 347.392 2.691 20 0 EFADML COc1ccc([C@H](NC(=O)c2c([O-])cccc2Cl)C(=O)[O-])cc1 ZINC001607228770 1097566717 /nfs/dbraw/zinc/56/67/17/1097566717.db2.gz FLOKNJPGPNOQSI-AWEZNQCLSA-N -2 1 335.743 2.610 20 0 EFADML C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001607445862 1097630257 /nfs/dbraw/zinc/63/02/57/1097630257.db2.gz KMEQNUNMQHNBST-ZYHUDNBSSA-N -2 1 329.352 2.576 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC001607633991 1097683987 /nfs/dbraw/zinc/68/39/87/1097683987.db2.gz VKQTXDFQQJUWTI-LBPRGKRZSA-N -2 1 333.365 2.520 20 0 EFADML Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC001608086348 1097831044 /nfs/dbraw/zinc/83/10/44/1097831044.db2.gz NPFCTKGQYLFATK-HNNXBMFYSA-N -2 1 346.358 2.935 20 0 EFADML Cn1cc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC001608120351 1097840043 /nfs/dbraw/zinc/84/00/43/1097840043.db2.gz DONVZSMWQRNYNC-UHFFFAOYSA-N -2 1 345.742 2.883 20 0 EFADML O=C([O-])[C@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)CC1CC1 ZINC001608420308 1097917277 /nfs/dbraw/zinc/91/72/77/1097917277.db2.gz UFOBLWICXGOWJJ-JTQLQIEISA-N -2 1 331.290 2.642 20 0 EFADML O=C([O-])CCSc1ncccc1[N-]C(=O)c1ncc(F)cc1F ZINC001608735590 1098004019 /nfs/dbraw/zinc/00/40/19/1098004019.db2.gz DHBXJDJIRWBORR-UHFFFAOYSA-N -2 1 339.323 2.574 20 0 EFADML O=C([O-])CN(CCc1ccccc1)C(=O)c1c([O-])cccc1Cl ZINC001608746028 1098008842 /nfs/dbraw/zinc/00/88/42/1098008842.db2.gz ITWVWXZCJLLUKF-UHFFFAOYSA-N -2 1 333.771 2.815 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CC2CCCCCC2)c1F ZINC001608850399 1098044802 /nfs/dbraw/zinc/04/48/02/1098044802.db2.gz PYBFZVFBKWSYOS-UHFFFAOYSA-N -2 1 347.383 2.912 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cc2[nH]ccc21 ZINC001608856706 1098047233 /nfs/dbraw/zinc/04/72/33/1098047233.db2.gz LTXZUJXTKVZSNU-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML O=C([O-])c1ccc(F)c2c1CN(C(=O)c1ccc(F)c([O-])c1)CC2 ZINC001608896310 1098064021 /nfs/dbraw/zinc/06/40/21/1098064021.db2.gz OJYSFQOUHGULCV-UHFFFAOYSA-N -2 1 333.290 2.567 20 0 EFADML O=C([O-])c1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1 ZINC001608901808 1098065801 /nfs/dbraw/zinc/06/58/01/1098065801.db2.gz CPZPPPGVUZCOFI-UHFFFAOYSA-N -2 1 335.319 2.591 20 0 EFADML O=C([O-])c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC001608902978 1098066362 /nfs/dbraw/zinc/06/63/62/1098066362.db2.gz XFKQYVCGSFQWJF-UHFFFAOYSA-N -2 1 326.230 2.757 20 0 EFADML O=C([O-])c1ccsc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001608957393 1098090592 /nfs/dbraw/zinc/09/05/92/1098090592.db2.gz BWXBJFKZVVPBSJ-UHFFFAOYSA-N -2 1 333.337 2.666 20 0 EFADML O=C([O-])c1nsc([N-]C(=O)c2occc2COc2ccccc2)n1 ZINC001609004813 1098106387 /nfs/dbraw/zinc/10/63/87/1098106387.db2.gz ZUVAGRNKIBMRDD-UHFFFAOYSA-N -2 1 345.336 2.661 20 0 EFADML O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC001609027362 1098117060 /nfs/dbraw/zinc/11/70/60/1098117060.db2.gz PUNWZVXLISMELL-SFHVURJKSA-N -2 1 345.782 2.914 20 0 EFADML C[C@@](CC(=O)[O-])(NC(=O)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC001609728134 1098439543 /nfs/dbraw/zinc/43/95/43/1098439543.db2.gz COJIKJBXHJTQMG-INIZCTEOSA-N -2 1 334.759 2.561 20 0 EFADML CC(F)(F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001609753534 1098446721 /nfs/dbraw/zinc/44/67/21/1098446721.db2.gz MOPLOJKZLBJFMM-UHFFFAOYSA-N -2 1 345.726 2.501 20 0 EFADML C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001609798586 1098460497 /nfs/dbraw/zinc/46/04/97/1098460497.db2.gz PKKSIRZAAAXWJG-LURJTMIESA-N -2 1 349.166 2.924 20 0 EFADML C[C@@]1(C(=O)[O-])CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001609810372 1098466051 /nfs/dbraw/zinc/46/60/51/1098466051.db2.gz OLBQMMYYYLWLBL-QGZVFWFLSA-N -2 1 348.786 2.921 20 0 EFADML C[C@]1([N-]S(=O)(=O)c2sccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC001609825176 1098469722 /nfs/dbraw/zinc/46/97/22/1098469722.db2.gz QWAHLDCGZZWOPU-UFBFGSQYSA-N -2 1 337.850 2.713 20 0 EFADML CC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC001609896894 1098487809 /nfs/dbraw/zinc/48/78/09/1098487809.db2.gz FRBKLWCRWXCZHS-LLVKDONJSA-N -2 1 344.191 2.664 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)ccc1C(=O)[O-] ZINC001610307311 1098613441 /nfs/dbraw/zinc/61/34/41/1098613441.db2.gz GMUCKRBRZHNORQ-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1ccc2nc(-c3nc4cc(C(=O)[O-])ccc4c(=O)[n-]3)ccc2c1 ZINC001610351550 1098632734 /nfs/dbraw/zinc/63/27/34/1098632734.db2.gz KOQMMBIOVSDAPO-UHFFFAOYSA-N -2 1 347.330 2.845 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)cc(C)c1F ZINC001610478120 1098700888 /nfs/dbraw/zinc/70/08/88/1098700888.db2.gz MIKNWENJQZSREF-UHFFFAOYSA-N -2 1 338.360 2.524 20 0 EFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1ncc(C(=O)[O-])cc1Cl ZINC001610505253 1098719275 /nfs/dbraw/zinc/71/92/75/1098719275.db2.gz QBIVBZUVAXLCDX-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC001610765646 1098872972 /nfs/dbraw/zinc/87/29/72/1098872972.db2.gz KMIIVPYXYOUDTP-ZDUSSCGKSA-N -2 1 331.343 2.737 20 0 EFADML O=C([O-])CCc1nnc([N-]C(=O)c2cc(F)c(Cl)cc2F)s1 ZINC001610779327 1098882623 /nfs/dbraw/zinc/88/26/23/1098882623.db2.gz DEYNUCNSBAVWJI-UHFFFAOYSA-N -2 1 347.730 2.739 20 0 EFADML O=C([O-])COc1ccc(NC(=O)c2cncc([O-])c2)c2ccccc12 ZINC001610786833 1098886463 /nfs/dbraw/zinc/88/64/63/1098886463.db2.gz AVQDYFNBYKXHKD-UHFFFAOYSA-N -2 1 338.319 2.656 20 0 EFADML O=C([O-])c1ccc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC001610820052 1098910263 /nfs/dbraw/zinc/91/02/63/1098910263.db2.gz BWIQYZZANKGOGG-UHFFFAOYSA-N -2 1 330.365 2.733 20 0 EFADML O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cccc(C3CC3)n2)cc1 ZINC001610829557 1098919706 /nfs/dbraw/zinc/91/97/06/1098919706.db2.gz FPQWYVRBYHYMDL-UHFFFAOYSA-N -2 1 332.381 2.599 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)ccc1F ZINC000036437615 213098438 /nfs/dbraw/zinc/09/84/38/213098438.db2.gz WQGRDXLRYVWPFU-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000035410717 213026126 /nfs/dbraw/zinc/02/61/26/213026126.db2.gz USUPGHIWAYGXAI-MRVPVSSYSA-N -2 1 346.619 2.788 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1F ZINC000193477636 240109259 /nfs/dbraw/zinc/10/92/59/240109259.db2.gz HUFMCRHIAHROQW-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1F ZINC000427340258 247339441 /nfs/dbraw/zinc/33/94/41/247339441.db2.gz ZVDMHPKPSJKRMC-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000433801615 248090295 /nfs/dbraw/zinc/09/02/95/248090295.db2.gz LBGVNRREEROVFB-UHFFFAOYSA-N -2 1 347.392 2.843 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cs1 ZINC000444423046 250299801 /nfs/dbraw/zinc/29/98/01/250299801.db2.gz HIBNZNFSNCKVDC-UHFFFAOYSA-N -2 1 349.393 2.637 20 0 EFADML Cn1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1C(=O)[O-] ZINC000447271861 250546885 /nfs/dbraw/zinc/54/68/85/250546885.db2.gz AJECOAZVMKVIGM-UHFFFAOYSA-N -2 1 334.397 2.792 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000347612312 142244687 /nfs/dbraw/zinc/24/46/87/142244687.db2.gz QNDJUGLLAVERII-UHFFFAOYSA-N -2 1 339.344 2.534 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)ccc1C(=O)[O-] ZINC000349992547 142388590 /nfs/dbraw/zinc/38/85/90/142388590.db2.gz SSIVORDPYFNRME-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)ccc1C(=O)[O-] ZINC000350013446 142390301 /nfs/dbraw/zinc/39/03/01/142390301.db2.gz DZVYFBHWCOZGEB-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000342958777 145229779 /nfs/dbraw/zinc/22/97/79/145229779.db2.gz CMBSQHLXAXOZIK-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)ccc1C(=O)[O-] ZINC000350865068 146097132 /nfs/dbraw/zinc/09/71/32/146097132.db2.gz AECYPUZFHLYIKG-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000351828869 146213181 /nfs/dbraw/zinc/21/31/81/146213181.db2.gz JGBAUQIPHNOEHY-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(O)c1 ZINC000356038605 147129960 /nfs/dbraw/zinc/12/99/60/147129960.db2.gz UBWPQNMBQROBBF-UHFFFAOYSA-N -2 1 335.381 2.816 20 0 EFADML CCCOc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C)c1 ZINC000299653116 311107296 /nfs/dbraw/zinc/10/72/96/311107296.db2.gz XQXMZOAXIIQRFL-UHFFFAOYSA-N -2 1 338.385 2.611 20 0 EFADML CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000317414653 311236010 /nfs/dbraw/zinc/23/60/10/311236010.db2.gz UDPRSVNOFKVIOX-SNVBAGLBSA-N -2 1 335.372 2.523 20 0 EFADML Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000319740866 311237185 /nfs/dbraw/zinc/23/71/85/311237185.db2.gz CVBXOLLAKGIGAD-UHFFFAOYSA-N -2 1 338.385 2.609 20 0 EFADML Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c(C)c1 ZINC000319883570 311237213 /nfs/dbraw/zinc/23/72/13/311237213.db2.gz XGKZCZQKXFPLRS-UHFFFAOYSA-N -2 1 335.381 2.816 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000321469260 311238447 /nfs/dbraw/zinc/23/84/47/311238447.db2.gz SZTPJIXKHJYQLS-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000323778498 311240414 /nfs/dbraw/zinc/24/04/14/311240414.db2.gz CHFYLLDURQNSTF-CYBMUJFWSA-N -2 1 347.383 2.667 20 0 EFADML O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1Cl ZINC000438769560 312623824 /nfs/dbraw/zinc/62/38/24/312623824.db2.gz FXYRDIRZDNMRCJ-UHFFFAOYSA-N -2 1 347.801 2.666 20 0 EFADML CCc1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2C(=O)[O-])c1 ZINC000485205383 313325881 /nfs/dbraw/zinc/32/58/81/313325881.db2.gz BZQKSGVEDHIXIC-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1F ZINC000489727873 313601040 /nfs/dbraw/zinc/60/10/40/313601040.db2.gz LLCKMYAOZBQGST-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML CCc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1F ZINC000507566294 315488493 /nfs/dbraw/zinc/48/84/93/315488493.db2.gz NORZKWOEBKSKLU-UHFFFAOYSA-N -2 1 337.372 2.816 20 0 EFADML Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000531132179 317224190 /nfs/dbraw/zinc/22/41/90/317224190.db2.gz QCMYDVLHLZQJPO-UHFFFAOYSA-N -2 1 344.392 2.606 20 0 EFADML Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000547546804 318018368 /nfs/dbraw/zinc/01/83/68/318018368.db2.gz XSPNLVDMCHUUDQ-UHFFFAOYSA-N -2 1 346.817 2.912 20 0 EFADML O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000547590327 318020274 /nfs/dbraw/zinc/02/02/74/318020274.db2.gz QAIQQKYMSQYVOT-UHFFFAOYSA-N -2 1 345.376 2.652 20 0 EFADML C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1F ZINC000548265330 318087279 /nfs/dbraw/zinc/08/72/79/318087279.db2.gz AGODBSJYKNKPIT-UWVGGRQHSA-N -2 1 335.372 2.523 20 0 EFADML O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000548526692 318118007 /nfs/dbraw/zinc/11/80/07/318118007.db2.gz DIMUFTAGYSOAAZ-UHFFFAOYSA-N -2 1 345.376 2.652 20 0 EFADML C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548548785 318118583 /nfs/dbraw/zinc/11/85/83/318118583.db2.gz GEQGYADYBGVDPK-CJNGLKHVSA-N -2 1 337.397 2.745 20 0 EFADML O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000548559863 318119385 /nfs/dbraw/zinc/11/93/85/318119385.db2.gz UBSODRUJFYPAIV-DGCLKSJQSA-N -2 1 347.383 2.667 20 0 EFADML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000563487946 318788690 /nfs/dbraw/zinc/78/86/90/318788690.db2.gz DYPVXNVIDKJXHS-UHFFFAOYSA-N -2 1 345.376 2.705 20 0 EFADML COC(=O)c1ccc([O-])c(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000565430463 318970485 /nfs/dbraw/zinc/97/04/85/318970485.db2.gz RVOJPTJJQMZNKE-UHFFFAOYSA-N -2 1 335.356 2.543 20 0 EFADML O=C([O-])C1([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCC1 ZINC000568201971 319258093 /nfs/dbraw/zinc/25/80/93/319258093.db2.gz ZRDICFXHLLCKFF-UHFFFAOYSA-N -2 1 345.829 2.840 20 0 EFADML CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000569333069 319370789 /nfs/dbraw/zinc/37/07/89/319370789.db2.gz PTEOBWLUXIVKOL-XPTSAGLGSA-N -2 1 343.376 2.596 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c(F)c1 ZINC000577365355 320103830 /nfs/dbraw/zinc/10/38/30/320103830.db2.gz BKDWDWWLGIMNRG-SNVBAGLBSA-N -2 1 335.372 2.585 20 0 EFADML CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000296824489 323637911 /nfs/dbraw/zinc/63/79/11/323637911.db2.gz AUIHJXOTQYRALA-LURJTMIESA-N -2 1 346.257 2.977 20 0 EFADML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(N(C)C)c2)c1 ZINC000579097096 323882956 /nfs/dbraw/zinc/88/29/56/323882956.db2.gz SXTPMTYPRFNJER-UHFFFAOYSA-N -2 1 348.424 2.868 20 0 EFADML C[C@H](N=c1ccc(N2CCC[C@@](C)(C(=O)[O-])C2)n[n-]1)c1ccccc1 ZINC000581431900 324376958 /nfs/dbraw/zinc/37/69/58/324376958.db2.gz AROCYVRQODBAHQ-IFXJQAMLSA-N -2 1 340.427 2.763 20 0 EFADML Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1c(F)ccc([O-])c1F ZINC000582327432 324569108 /nfs/dbraw/zinc/56/91/08/324569108.db2.gz DPLQOGSYWRLILJ-UHFFFAOYSA-N -2 1 346.293 2.722 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1 ZINC000171404482 473379726 /nfs/dbraw/zinc/37/97/26/473379726.db2.gz WSXFPRVZRRVATP-UHFFFAOYSA-N -2 1 345.298 2.532 20 0 EFADML CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000035390692 471996101 /nfs/dbraw/zinc/99/61/01/471996101.db2.gz NAPFPKUUQBLENO-ZETCQYMHSA-N -2 1 346.257 2.833 20 0 EFADML O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000024432840 472055228 /nfs/dbraw/zinc/05/52/28/472055228.db2.gz ATNKRIKVILMGFT-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000024578624 472059679 /nfs/dbraw/zinc/05/96/79/472059679.db2.gz DTRHBBXDLDWXDF-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C ZINC000054795391 472115766 /nfs/dbraw/zinc/11/57/66/472115766.db2.gz PTRXLIRCYNRSGT-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000054795361 472115913 /nfs/dbraw/zinc/11/59/13/472115913.db2.gz OPRALUCZZFLSOG-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000096765391 472398157 /nfs/dbraw/zinc/39/81/57/472398157.db2.gz ISFXAZJAPYRFMC-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000058369527 472557570 /nfs/dbraw/zinc/55/75/70/472557570.db2.gz NJDILVAJVPDLRB-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1 ZINC000090166629 472605547 /nfs/dbraw/zinc/60/55/47/472605547.db2.gz JEAINYSAWPEVMG-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000071916504 472620185 /nfs/dbraw/zinc/62/01/85/472620185.db2.gz IIYPGHSOIAGHGQ-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1 ZINC000047202304 472669874 /nfs/dbraw/zinc/66/98/74/472669874.db2.gz GPTCXPFVAQFNTR-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000060800327 472678273 /nfs/dbraw/zinc/67/82/73/472678273.db2.gz ZWAFLRMCCSDGOV-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000047906601 472778808 /nfs/dbraw/zinc/77/88/08/472778808.db2.gz XUJRMMMBFVPHBE-UHFFFAOYSA-N -2 1 341.772 2.604 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1C(=O)[O-] ZINC000047906102 472778817 /nfs/dbraw/zinc/77/88/17/472778817.db2.gz BNHNHSDTWHVBIM-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000063878624 472824286 /nfs/dbraw/zinc/82/42/86/472824286.db2.gz CXHVNIHAGWSASG-UHFFFAOYSA-N -2 1 344.392 2.685 20 0 EFADML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000063878637 472824947 /nfs/dbraw/zinc/82/49/47/472824947.db2.gz GJHXNOZIJNVWCB-UHFFFAOYSA-N -2 1 330.365 2.674 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C(F)(F)F ZINC000065751147 473006069 /nfs/dbraw/zinc/00/60/69/473006069.db2.gz MOOBADDINSDAIH-UHFFFAOYSA-N -2 1 348.302 2.841 20 0 EFADML Cc1ccc(C(=O)[O-])cc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000190869896 473413569 /nfs/dbraw/zinc/41/35/69/473413569.db2.gz OIHWLLWGKRCSQK-UHFFFAOYSA-N -2 1 343.383 2.635 20 0 EFADML O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000170932989 473649990 /nfs/dbraw/zinc/64/99/90/473649990.db2.gz YDAPYJDETHTUGZ-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML CCOc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc(Cl)c1[O-] ZINC000263539208 473770907 /nfs/dbraw/zinc/77/09/07/473770907.db2.gz BNDFOEGHRZKVLY-QMMMGPOBSA-N -2 1 327.764 2.522 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C(=O)[O-] ZINC000193356252 473784184 /nfs/dbraw/zinc/78/41/84/473784184.db2.gz RATAEOJAGMVNCR-UHFFFAOYSA-N -2 1 344.392 2.814 20 0 EFADML COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)CCC(C)(C)C)c1OC ZINC000275070860 474058104 /nfs/dbraw/zinc/05/81/04/474058104.db2.gz WSEKALFGZLZNIJ-UHFFFAOYSA-N -2 1 345.417 2.580 20 0 EFADML CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)[O-] ZINC000270526875 474155456 /nfs/dbraw/zinc/15/54/56/474155456.db2.gz TVUNVVVYZDXEIQ-MRVPVSSYSA-N -2 1 345.726 2.500 20 0 EFADML O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000223859125 474191208 /nfs/dbraw/zinc/19/12/08/474191208.db2.gz RMPBWTJLXYAIAU-SNVBAGLBSA-N -2 1 342.189 2.624 20 0 EFADML O=C([O-])C1CCC(NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000236426707 474272034 /nfs/dbraw/zinc/27/20/34/474272034.db2.gz PAUPRBXNOFABNT-UHFFFAOYSA-N -2 1 342.189 2.528 20 0 EFADML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000184637412 474570690 /nfs/dbraw/zinc/57/06/90/474570690.db2.gz MEENCXUGWPMTKC-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1F ZINC000314099119 474860491 /nfs/dbraw/zinc/86/04/91/474860491.db2.gz BKYUBXLGNMAFLF-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(F)c1 ZINC000316798715 474881813 /nfs/dbraw/zinc/88/18/13/474881813.db2.gz NDPUAHMACAWUNW-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000318747358 474892922 /nfs/dbraw/zinc/89/29/22/474892922.db2.gz BHXMDZXUQNYQBJ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000319596066 474900763 /nfs/dbraw/zinc/90/07/63/474900763.db2.gz LEGMAJIPVDNJTI-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c(F)c1 ZINC000321285593 474922933 /nfs/dbraw/zinc/92/29/33/474922933.db2.gz GTFPSPLCLINTGJ-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1ccc(-c2cc(C(=O)Nc3cccc(CC(=O)[O-])c3)[nH]n2)o1 ZINC000345819048 475479050 /nfs/dbraw/zinc/47/90/50/475479050.db2.gz AFIYPSOKSSLMRS-UHFFFAOYSA-N -2 1 325.324 2.858 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000338120778 475605151 /nfs/dbraw/zinc/60/51/51/475605151.db2.gz KLEOWXNEMRFLQU-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c1 ZINC000340090380 475749745 /nfs/dbraw/zinc/74/97/45/475749745.db2.gz ISBDQVSITRGCPI-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])ccc1F ZINC000346828411 475891319 /nfs/dbraw/zinc/89/13/19/475891319.db2.gz NMDPYFOABIFFLM-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000361971706 475906176 /nfs/dbraw/zinc/90/61/76/475906176.db2.gz MTWUANDTUDJFMF-UHFFFAOYSA-N -2 1 347.392 2.707 20 0 EFADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000361984081 475916235 /nfs/dbraw/zinc/91/62/35/475916235.db2.gz RGFVLBQKWFISQD-UHFFFAOYSA-N -2 1 342.376 2.663 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)ccc1F ZINC000346877781 475932407 /nfs/dbraw/zinc/93/24/07/475932407.db2.gz RIFRLFVCIJKYEH-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC000362126447 476017439 /nfs/dbraw/zinc/01/74/39/476017439.db2.gz RWBCIVBRRNTTLE-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc(C(=O)[O-])c1C ZINC000350302058 476126005 /nfs/dbraw/zinc/12/60/05/476126005.db2.gz SBWWNKQIPURNBT-UHFFFAOYSA-N -2 1 347.392 2.833 20 0 EFADML Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362297955 476151775 /nfs/dbraw/zinc/15/17/75/476151775.db2.gz GZYLSYKNCBOSHA-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1C(=O)[O-] ZINC000336882964 476174515 /nfs/dbraw/zinc/17/45/15/476174515.db2.gz XPMYOKCVGJOLLX-UHFFFAOYSA-N -2 1 347.392 2.778 20 0 EFADML CCc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)ccc1C ZINC000357070036 476205123 /nfs/dbraw/zinc/20/51/23/476205123.db2.gz FPYNEPFBVDYSJM-UHFFFAOYSA-N -2 1 333.409 2.985 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1C ZINC000357077937 476211618 /nfs/dbraw/zinc/21/16/18/476211618.db2.gz QTHKDMMXMHLDQI-UHFFFAOYSA-N -2 1 347.392 2.626 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1C ZINC000357083226 476216687 /nfs/dbraw/zinc/21/66/87/476216687.db2.gz XVPXOKYDQOYERR-UHFFFAOYSA-N -2 1 333.409 2.985 20 0 EFADML CC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1F ZINC000350512289 476221995 /nfs/dbraw/zinc/22/19/95/476221995.db2.gz ICWBKTIRWSNUQT-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1F ZINC000357150985 476266277 /nfs/dbraw/zinc/26/62/77/476266277.db2.gz RNCGPJGKIZMQKF-UHFFFAOYSA-N -2 1 337.372 2.816 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000337025784 476269633 /nfs/dbraw/zinc/26/96/33/476269633.db2.gz CLMFPXQQEWEKDF-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000360869736 476441354 /nfs/dbraw/zinc/44/13/54/476441354.db2.gz GAEJSDJGSUQLGF-LBPRGKRZSA-N -2 1 349.408 2.822 20 0 EFADML COc1cc(C)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000447278536 476971169 /nfs/dbraw/zinc/97/11/69/476971169.db2.gz NKSCQEOWZGYPRK-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML Cc1cc(F)cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000432222706 477180559 /nfs/dbraw/zinc/18/05/59/477180559.db2.gz ICKZJHWBZPJVGH-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2cc(C(=O)[O-])cs2)[n-]c1=O ZINC000432692367 477250665 /nfs/dbraw/zinc/25/06/65/477250665.db2.gz CLLYHIWQHKCTPG-YWEYNIOJSA-N -2 1 334.353 2.679 20 0 EFADML CCOc1cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc(Cl)c1[O-] ZINC000424251050 477341593 /nfs/dbraw/zinc/34/15/93/477341593.db2.gz PSVXCBYNQSESIJ-NSHDSACASA-N -2 1 343.807 2.921 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1O ZINC000436539151 477507144 /nfs/dbraw/zinc/50/71/44/477507144.db2.gz SOVXGIKLUZVGES-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1c([O-])cccc1F ZINC000436604797 477531060 /nfs/dbraw/zinc/53/10/60/477531060.db2.gz KFDOHATXRBHLHH-UHFFFAOYSA-N -2 1 333.269 2.874 20 0 EFADML CCc1[n-][nH]c(=NC(=O)c2ccc(CC)cc2[O-])c1Br ZINC000436831479 477606059 /nfs/dbraw/zinc/60/60/59/477606059.db2.gz GNAPOAIJHZQAFL-UHFFFAOYSA-N -2 1 338.205 2.677 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c[nH]1 ZINC000438751426 477882257 /nfs/dbraw/zinc/88/22/57/477882257.db2.gz CRMZLILUDMAAEV-UHFFFAOYSA-N -2 1 348.302 2.619 20 0 EFADML CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000516639911 477965886 /nfs/dbraw/zinc/96/58/86/477965886.db2.gz BWRYUHJRDZUSQH-LBPRGKRZSA-N -2 1 339.413 2.991 20 0 EFADML O=C(Nc1nc(-c2ccco2)n[nH]1)c1cccc(Br)c1[O-] ZINC000520736340 478338605 /nfs/dbraw/zinc/33/86/05/478338605.db2.gz MTPOISVDJPQZPM-UHFFFAOYSA-N -2 1 349.144 2.785 20 0 EFADML CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000570519254 478379396 /nfs/dbraw/zinc/37/93/96/478379396.db2.gz SLCGIKBXZKPTHN-UFBFGSQYSA-N -2 1 337.800 2.503 20 0 EFADML CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000573778108 479139681 /nfs/dbraw/zinc/13/96/81/479139681.db2.gz BPPZEUBPCSXYPK-LLVKDONJSA-N -2 1 343.376 2.740 20 0 EFADML O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccs1 ZINC000650238621 480953512 /nfs/dbraw/zinc/95/35/12/480953512.db2.gz PAJPIOVZNDAKKI-SNVBAGLBSA-N -2 1 347.364 2.521 20 0 EFADML O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000650396290 481067599 /nfs/dbraw/zinc/06/75/99/481067599.db2.gz KQFJGJMROAUTAG-MGCOHNPYSA-N -2 1 349.811 2.648 20 0 EFADML CCOc1cc(C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000653318277 481222669 /nfs/dbraw/zinc/22/26/69/481222669.db2.gz DBLSPVITXBWNQA-KWQFWETISA-N -2 1 327.764 2.522 20 0 EFADML O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1 ZINC000185570801 534505519 /nfs/dbraw/zinc/50/55/19/534505519.db2.gz JAQBTHXBQKQSES-UHFFFAOYSA-N -2 1 342.376 2.663 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000078365080 527638175 /nfs/dbraw/zinc/63/81/75/527638175.db2.gz RNFQVOXEFXDJHI-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML CCCCC[C@H]1CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000427208588 535136736 /nfs/dbraw/zinc/13/67/36/535136736.db2.gz GSEXFWYPZLAUCA-LBPRGKRZSA-N -2 1 344.415 2.929 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1O ZINC000680809310 549391141 /nfs/dbraw/zinc/39/11/41/549391141.db2.gz BLTZEGINQRQFEJ-UHFFFAOYSA-N -2 1 349.408 2.827 20 0 EFADML O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc2n[n-]c(=S)n2c1 ZINC000774066428 581481319 /nfs/dbraw/zinc/48/13/19/581481319.db2.gz JCMVPZJZUKQVGA-UHFFFAOYSA-N -2 1 343.393 2.700 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000325344179 599852509 /nfs/dbraw/zinc/85/25/09/599852509.db2.gz DCRBLPZPOLMQLS-UHFFFAOYSA-N -2 1 347.392 2.707 20 0 EFADML Cc1nc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)ccc2o1 ZINC000325078460 599904744 /nfs/dbraw/zinc/90/47/44/599904744.db2.gz YDJWFFGECQKPMT-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML O=C([O-])CSCc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000739872722 599923860 /nfs/dbraw/zinc/92/38/60/599923860.db2.gz ZVDQQIRQITUUFU-UHFFFAOYSA-N -2 1 333.365 2.668 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1C(=O)[O-] ZINC000738745544 599982295 /nfs/dbraw/zinc/98/22/95/599982295.db2.gz RBZJFVIXRCIZBU-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML O=C([O-])c1ccc2c(c1)CN(Cc1cc(=O)oc3cc([O-])ccc13)C2 ZINC000326910933 600087556 /nfs/dbraw/zinc/08/75/56/600087556.db2.gz MOVRVRIONPSMPF-UHFFFAOYSA-N -2 1 337.331 2.713 20 0 EFADML CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000737202798 600092922 /nfs/dbraw/zinc/09/29/22/600092922.db2.gz GKGSLUVSOALGJA-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000740143656 600093783 /nfs/dbraw/zinc/09/37/83/600093783.db2.gz JJKLBVZLXQNGCX-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2[O-])C(=O)[O-])cc1 ZINC000738566714 600173985 /nfs/dbraw/zinc/17/39/85/600173985.db2.gz HVQAAIOYEZYUPD-CQSZACIVSA-N -2 1 333.771 2.952 20 0 EFADML O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000740000037 600302923 /nfs/dbraw/zinc/30/29/23/600302923.db2.gz BFCMYDZUKJSLPW-UHFFFAOYSA-N -2 1 342.323 2.533 20 0 EFADML O=C([O-])c1sc2ccccc2c1CNC(=O)c1cncc([O-])c1 ZINC000739435859 600362919 /nfs/dbraw/zinc/36/29/19/600362919.db2.gz IMILNVGXRQFWIE-UHFFFAOYSA-N -2 1 328.349 2.630 20 0 EFADML CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(Cl)ccc1[O-] ZINC000737167906 600485652 /nfs/dbraw/zinc/48/56/52/600485652.db2.gz JJKQEEAIPRCEDJ-LLVKDONJSA-N -2 1 343.807 2.635 20 0 EFADML O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc2ccccc2cc1[O-] ZINC000739721167 600490445 /nfs/dbraw/zinc/49/04/45/600490445.db2.gz CNXAALSXNLNSAJ-OAHLLOKOSA-N -2 1 343.379 2.641 20 0 EFADML O=C([O-])CCCc1nnc([N-]C(=O)c2cnc(C3CC3)s2)s1 ZINC000739710177 600539878 /nfs/dbraw/zinc/53/98/78/600539878.db2.gz BNWCDPHIJDFYJK-UHFFFAOYSA-N -2 1 338.414 2.532 20 0 EFADML Cc1nc2ccc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)cc2o1 ZINC000174997655 600626285 /nfs/dbraw/zinc/62/62/85/600626285.db2.gz DJPPSYOZRCKUMK-UHFFFAOYSA-N -2 1 346.364 2.564 20 0 EFADML O=C([O-])CCc1nnc(NC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000739776719 600629780 /nfs/dbraw/zinc/62/97/80/600629780.db2.gz JEVDQYSKKKEEQX-UHFFFAOYSA-N -2 1 343.364 2.666 20 0 EFADML Cc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(F)cc1F ZINC000738797925 600888398 /nfs/dbraw/zinc/88/83/98/600888398.db2.gz DBXPNJIMRRMNFH-UHFFFAOYSA-N -2 1 333.337 2.834 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccccc2N(C)C)ccc1C(=O)[O-] ZINC000391987114 600980529 /nfs/dbraw/zinc/98/05/29/600980529.db2.gz WTYHQEJKAALESW-UHFFFAOYSA-N -2 1 334.397 2.560 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1N(C)C ZINC000832898996 600981146 /nfs/dbraw/zinc/98/11/46/600981146.db2.gz AGAUPLJDMGPMQP-UHFFFAOYSA-N -2 1 340.426 2.622 20 0 EFADML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000324494675 601157840 /nfs/dbraw/zinc/15/78/40/601157840.db2.gz MKNYMBNSQDLYTP-TWGQIWQCSA-N -2 1 342.376 2.765 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000825957381 601180060 /nfs/dbraw/zinc/18/00/60/601180060.db2.gz UHPCDTCYFLXPEX-GJZGRUSLSA-N -2 1 334.368 2.572 20 0 EFADML Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc2o1 ZINC000013079327 601356708 /nfs/dbraw/zinc/35/67/08/601356708.db2.gz VJYDXWBGWWBKNM-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000170033900 601362120 /nfs/dbraw/zinc/36/21/20/601362120.db2.gz XNUZXKPEKWWLEZ-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML O=C([O-])c1cc(-c2csc(NC(=O)c3cc(F)ccc3[O-])n2)c[nH]1 ZINC000833294432 601387635 /nfs/dbraw/zinc/38/76/35/601387635.db2.gz QKNFRDYUXXWBEN-UHFFFAOYSA-N -2 1 347.327 2.933 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(Cl)c1 ZINC000832950309 601830445 /nfs/dbraw/zinc/83/04/45/601830445.db2.gz IXVYBVHPHKICFL-UHFFFAOYSA-N -2 1 332.790 2.604 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1F ZINC000080308036 601830663 /nfs/dbraw/zinc/83/06/63/601830663.db2.gz LNOYVMSVUMSUFG-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC(C)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)[nH]n1 ZINC000827111949 601850953 /nfs/dbraw/zinc/85/09/53/601850953.db2.gz BFTABUCHXKVPEI-UHFFFAOYSA-N -2 1 343.792 2.686 20 0 EFADML CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)[nH]n1 ZINC000829216686 602102575 /nfs/dbraw/zinc/10/25/75/602102575.db2.gz RNBINXAHKPFVFJ-MRVPVSSYSA-N -2 1 341.389 2.714 20 0 EFADML Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000166002084 602158634 /nfs/dbraw/zinc/15/86/34/602158634.db2.gz MYFGVZCSTGWBNZ-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000833344593 602309305 /nfs/dbraw/zinc/30/93/05/602309305.db2.gz WGPCJMYGRFFFGK-UHFFFAOYSA-N -2 1 341.414 2.628 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000231768604 604624901 /nfs/dbraw/zinc/62/49/01/604624901.db2.gz WVVHQGFKOVYQRD-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML Cc1ccc(F)c(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC000833749156 604625864 /nfs/dbraw/zinc/62/58/64/604625864.db2.gz AMRUGGONPOIAAF-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833448777 604685491 /nfs/dbraw/zinc/68/54/91/604685491.db2.gz HFDBUWAWGYYIEB-UHFFFAOYSA-N -2 1 334.397 2.878 20 0 EFADML Cc1cc(C(=O)Nc2ccc(F)cc2[O-])cc(C)c1OCC(=O)[O-] ZINC000832865133 604707801 /nfs/dbraw/zinc/70/78/01/604707801.db2.gz OORGEGQVLCSPAK-UHFFFAOYSA-N -2 1 333.315 2.864 20 0 EFADML Cc1ccc([C@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)s1 ZINC000746158916 1271849569 /nfs/dbraw/zinc/84/95/69/1271849569.db2.gz ZOMVKEUVMSFLGO-VIFPVBQESA-N -2 1 344.396 2.605 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2c(F)cc([O-])cc2F)c1 ZINC000746985744 1277973062 /nfs/dbraw/zinc/97/30/62/1277973062.db2.gz IFYRHFAJYZYLJB-UHFFFAOYSA-N -2 1 336.290 2.978 20 0 EFADML CCC(CC)(C[N-]S(=O)(=O)c1occc1C(=O)[O-])C(F)(F)F ZINC000871996910 1287389418 /nfs/dbraw/zinc/38/94/18/1287389418.db2.gz NENXFFUEKAMRMX-UHFFFAOYSA-N -2 1 343.323 2.625 20 0 EFADML CCC1([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCC(F)(F)CC1 ZINC001180176465 1289428163 /nfs/dbraw/zinc/42/81/63/1289428163.db2.gz BLAOCPLDQSETID-UHFFFAOYSA-N -2 1 335.244 2.816 20 0 EFADML CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1[S-] ZINC001187998546 1291282003 /nfs/dbraw/zinc/28/20/03/1291282003.db2.gz SDDPVVXIISEMKO-UHFFFAOYSA-N -2 1 336.438 2.989 20 0 EFADML O=S(=O)([N-][C@@H]1[CH]CC=C1)c1cc(F)c(Br)c(F)c1 ZINC001189064975 1291566997 /nfs/dbraw/zinc/56/69/97/1291566997.db2.gz XITPZELFSJVTRA-ZETCQYMHSA-N -2 1 337.165 2.538 20 0 EFADML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3c2CCC3)cc1 ZINC001192100473 1292773457 /nfs/dbraw/zinc/77/34/57/1292773457.db2.gz QWRRURPIIQLATA-UHFFFAOYSA-N -2 1 345.420 2.993 20 0 EFADML C[C@@H](O)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC001192139388 1292807336 /nfs/dbraw/zinc/80/73/36/1292807336.db2.gz RPVSUEYTORXNKL-GFCCVEGCSA-N -2 1 349.408 2.558 20 0 EFADML O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1c(F)ccc([O-])c1F ZINC001192539121 1292921926 /nfs/dbraw/zinc/92/19/26/1292921926.db2.gz FVZQHUCLMIKOLE-UHFFFAOYSA-N -2 1 331.278 2.814 20 0 EFADML O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cc([O-])cc(F)c1F ZINC001192671125 1292976266 /nfs/dbraw/zinc/97/62/66/1292976266.db2.gz SXYXERVQYMJPRI-UHFFFAOYSA-N -2 1 331.278 2.814 20 0 EFADML O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)cc1 ZINC001192727170 1293001794 /nfs/dbraw/zinc/00/17/94/1293001794.db2.gz QBNHVKMHLNEUTB-UHFFFAOYSA-N -2 1 347.352 2.548 20 0 EFADML COc1ccnc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)c1[O-] ZINC001193532015 1293328279 /nfs/dbraw/zinc/32/82/79/1293328279.db2.gz PZXUCHVGTYAJIB-UHFFFAOYSA-N -2 1 333.394 2.947 20 0 EFADML [CH2]CC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195454930 1293924550 /nfs/dbraw/zinc/92/45/50/1293924550.db2.gz GGCHBLRYABWKDT-UHFFFAOYSA-N -2 1 329.598 2.744 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2cnccc2c1 ZINC001198730621 1295209681 /nfs/dbraw/zinc/20/96/81/1295209681.db2.gz RZYWOAOYCGEZTO-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(O)cc(Cl)c1 ZINC001198782353 1295227894 /nfs/dbraw/zinc/22/78/94/1295227894.db2.gz IHAPLPHAHISIRP-UHFFFAOYSA-N -2 1 327.745 2.545 20 0 EFADML Cc1c(F)cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1F ZINC001198783145 1295228168 /nfs/dbraw/zinc/22/81/68/1295228168.db2.gz WZALJBCQLLWUJA-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198783050 1295228502 /nfs/dbraw/zinc/22/85/02/1295228502.db2.gz WATBQRACAXVLPC-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML CCOc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1F ZINC001198789389 1295231910 /nfs/dbraw/zinc/23/19/10/1295231910.db2.gz BVVIUSVLEWDIAA-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML Cc1nc2cc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])ccc2o1 ZINC001198779565 1295248507 /nfs/dbraw/zinc/24/85/07/1295248507.db2.gz RHZDKYNBQQHEQJ-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML CN1CCCc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc21 ZINC001198778227 1295248904 /nfs/dbraw/zinc/24/89/04/1295248904.db2.gz CSADKWWNSLFKFR-UHFFFAOYSA-N -2 1 346.408 2.568 20 0 EFADML CCn1cc2cc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])ccc2n1 ZINC001198778576 1295249276 /nfs/dbraw/zinc/24/92/76/1295249276.db2.gz HJLDXDCRLZWKDU-UHFFFAOYSA-N -2 1 345.380 2.555 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC001198779595 1295249650 /nfs/dbraw/zinc/24/96/50/1295249650.db2.gz SBYRKIQVZVCLMZ-UHFFFAOYSA-N -2 1 334.378 2.795 20 0 EFADML Cc1cc(=O)n(-c2ccc(-c3ccc([O-])c(C(F)(F)F)c3)nn2)[n-]1 ZINC001242153550 1314186028 /nfs/dbraw/zinc/18/60/28/1314186028.db2.gz ZYTIFNYHQXXOEN-UHFFFAOYSA-N -2 1 336.273 2.981 20 0 EFADML CN1CCc2c(F)cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2C1 ZINC001242165280 1314187718 /nfs/dbraw/zinc/18/77/18/1314187718.db2.gz XPPIDGJAMWKRIS-UHFFFAOYSA-N -2 1 329.327 2.877 20 0 EFADML COC(=O)c1nc2ccc(-c3cc(C(=O)[O-])ccc3OC)cc2[n-]1 ZINC001242390853 1314203212 /nfs/dbraw/zinc/20/32/12/1314203212.db2.gz KOLJHWGVPPQSGC-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML COC(=O)c1nc2cc(-c3cc(C(=O)[O-])ccc3OC)ccc2[n-]1 ZINC001242390853 1314203215 /nfs/dbraw/zinc/20/32/15/1314203215.db2.gz KOLJHWGVPPQSGC-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML O=C([O-])c1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1C(F)(F)F ZINC001243158107 1314266194 /nfs/dbraw/zinc/26/61/94/1314266194.db2.gz MXNZPGDBDHYYPT-UHFFFAOYSA-N -2 1 335.245 2.646 20 0 EFADML O=C([O-])c1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1C(F)(F)F ZINC001243158107 1314266197 /nfs/dbraw/zinc/26/61/97/1314266197.db2.gz MXNZPGDBDHYYPT-UHFFFAOYSA-N -2 1 335.245 2.646 20 0 EFADML O=C([O-])c1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1C(F)(F)F ZINC001243159031 1314266365 /nfs/dbraw/zinc/26/63/65/1314266365.db2.gz NVOGYJQINFCOMZ-UHFFFAOYSA-N -2 1 349.264 2.883 20 0 EFADML CC1(C)CCC[C@H](CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)O1 ZINC000901633261 1310790937 /nfs/dbraw/zinc/79/09/37/1310790937.db2.gz ATIXTMXKXIRCTH-LLVKDONJSA-N -2 1 345.392 2.613 20 0 EFADML COC(=O)c1nc2ccc(-c3c(F)cc(C(=O)[O-])cc3F)cc2[n-]1 ZINC001222403162 1311125249 /nfs/dbraw/zinc/12/52/49/1311125249.db2.gz MTSMMTCSYRVOCH-UHFFFAOYSA-N -2 1 332.262 2.993 20 0 EFADML COC(=O)c1nc2cc(-c3c(F)cc(C(=O)[O-])cc3F)ccc2[n-]1 ZINC001222403162 1311125250 /nfs/dbraw/zinc/12/52/50/1311125250.db2.gz MTSMMTCSYRVOCH-UHFFFAOYSA-N -2 1 332.262 2.993 20 0 EFADML O=c1cc(CCC2CCCC2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245933331 1314551307 /nfs/dbraw/zinc/55/13/07/1314551307.db2.gz ZWGSESMYAXDENW-UHFFFAOYSA-N -2 1 336.413 2.947 20 0 EFADML O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc(F)c(C(=O)[O-])c1F ZINC001215270425 1314807294 /nfs/dbraw/zinc/80/72/94/1314807294.db2.gz UPGBTHFUGGVKTN-UHFFFAOYSA-N -2 1 328.256 2.589 20 0 EFADML CCOC(=O)c1nonc1[N-]c1ccc(C(=O)[O-])c(C)c1Cl ZINC001215690834 1314868893 /nfs/dbraw/zinc/86/88/93/1314868893.db2.gz UZTRMMPOVLQAKX-UHFFFAOYSA-N -2 1 325.708 2.650 20 0 EFADML Cc1cc(Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc(C)c1C(=O)[O-] ZINC001216310298 1314938937 /nfs/dbraw/zinc/93/89/37/1314938937.db2.gz UYIYZPBXATXGOU-UHFFFAOYSA-N -2 1 331.332 2.705 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1F ZINC000749144410 1315120310 /nfs/dbraw/zinc/12/03/10/1315120310.db2.gz YHPJJNAOXFDDCC-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=S(=O)(CCc1ccc(F)cc1)[N-]c1c([O-])cc(F)cc1F ZINC001259760489 1316273991 /nfs/dbraw/zinc/27/39/91/1316273991.db2.gz ZAWVUYZVBSRIAZ-UHFFFAOYSA-N -2 1 331.315 2.794 20 0 EFADML O=S(=O)(CCc1cccc(F)c1)[N-]c1c([O-])cc(F)cc1F ZINC001259773200 1316276034 /nfs/dbraw/zinc/27/60/34/1316276034.db2.gz ANDRHVOUZAGQEC-UHFFFAOYSA-N -2 1 331.315 2.794 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc(Cl)n1 ZINC001260184707 1316321529 /nfs/dbraw/zinc/32/15/29/1316321529.db2.gz YLXKIZQAWIATFI-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)nc2)cc1 ZINC001260223276 1316324132 /nfs/dbraw/zinc/32/41/32/1316324132.db2.gz KTGWNTHDIHCYKM-UHFFFAOYSA-N -2 1 332.381 2.848 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2CCCO3)cc1 ZINC001260228823 1316324783 /nfs/dbraw/zinc/32/47/83/1316324783.db2.gz ACQHNQUIABMSGV-UHFFFAOYSA-N -2 1 333.365 2.511 20 0 EFADML Cc1c(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC001260227984 1316324840 /nfs/dbraw/zinc/32/48/40/1316324840.db2.gz QLYNHLLZUFJOPI-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=S(=O)([N-]c1ncc([O-])cc1Cl)c1c(F)cc(F)cc1F ZINC001260348919 1316333210 /nfs/dbraw/zinc/33/32/10/1316333210.db2.gz ATMBOHBDRDAMGL-UHFFFAOYSA-N -2 1 338.694 2.659 20 0 EFADML O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(Cl)no1 ZINC001306830369 1324722659 /nfs/dbraw/zinc/72/26/59/1324722659.db2.gz KCACDNPYCHJLBY-UHFFFAOYSA-N -2 1 340.126 2.724 20 0 EFADML CC(C)c1nc(C=Cc2cc(-c3nnn[n-]3)cs2)ncc1C(=O)[O-] ZINC000820201994 1428711901 /nfs/dbraw/zinc/71/19/01/1428711901.db2.gz DJYZETIMMMMSSV-ARJAWSKDSA-N -2 1 342.384 2.710 20 0 EFADML CS[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1 ZINC000826224395 1428790985 /nfs/dbraw/zinc/79/09/85/1428790985.db2.gz CCJPAFADZFMHQT-CQSZACIVSA-N -2 1 341.396 2.615 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1 ZINC000825716932 1429462419 /nfs/dbraw/zinc/46/24/19/1429462419.db2.gz DDRGAXUJPMPYLU-UHFFFAOYSA-N -2 1 343.412 2.538 20 0 EFADML Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000124350347 1424205048 /nfs/dbraw/zinc/20/50/48/1424205048.db2.gz OCNJFLRMKMVPPU-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML O=C(CC=Cc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826404600 1429754721 /nfs/dbraw/zinc/75/47/21/1429754721.db2.gz GGEYSEBCZYXHEA-OWOJBTEDSA-N -2 1 339.330 2.753 20 0 EFADML CC(C)c1nc(C=Cc2ccccc2-c2nnn[n-]2)ncc1C(=O)[O-] ZINC000824358275 1426279929 /nfs/dbraw/zinc/27/99/29/1426279929.db2.gz FMSRSVVMMVWZBY-FPLPWBNLSA-N -2 1 336.355 2.649 20 0 EFADML O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823357664 1426998283 /nfs/dbraw/zinc/99/82/83/1426998283.db2.gz XOEAZHYWBIOSRO-UHFFFAOYSA-N -2 1 338.352 2.549 20 0 EFADML Cc1cc(Cl)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822202198 1427031334 /nfs/dbraw/zinc/03/13/34/1427031334.db2.gz OVNBBRIKURZGBJ-UHFFFAOYSA-N -2 1 329.747 2.786 20 0 EFADML Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)sn1 ZINC000822208147 1429929732 /nfs/dbraw/zinc/92/97/32/1429929732.db2.gz DAJHJEMSUPFYCR-SECBINFHSA-N -2 1 329.389 2.514 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cc(F)cc(Cl)c1 ZINC000823294820 1430184667 /nfs/dbraw/zinc/18/46/67/1430184667.db2.gz SGBYNGAJARLCLG-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML CC[C@H](C)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825049293 1441616822 /nfs/dbraw/zinc/61/68/22/1441616822.db2.gz AHPSUKWIRDUMBM-VIFPVBQESA-N -2 1 328.401 2.975 20 0 EFADML Cc1cc(C)c(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c(C)c1 ZINC000826263268 1443265602 /nfs/dbraw/zinc/26/56/02/1443265602.db2.gz SGHLBCBULKTXMI-UHFFFAOYSA-N -2 1 337.383 2.679 20 0 EFADML Cc1c(NC(=O)c2cc(F)cc(Cl)c2[O-])cccc1-c1nnn[n-]1 ZINC000822108405 1443434034 /nfs/dbraw/zinc/43/40/34/1443434034.db2.gz IWIVDLHWUDPQHO-UHFFFAOYSA-N -2 1 347.737 2.926 20 0 EFADML CSc1ccc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c1 ZINC000826230043 1446722361 /nfs/dbraw/zinc/72/23/61/1446722361.db2.gz BLFXVZGHEDVUOR-UHFFFAOYSA-N -2 1 341.396 2.855 20 0 EFADML CC(C)c1nc(C=Cc2cccc(-c3nnn[n-]3)c2)ncc1C(=O)[O-] ZINC000735939489 1447195769 /nfs/dbraw/zinc/19/57/69/1447195769.db2.gz JPFNRUMFYBUVBM-VOTSOKGWSA-N -2 1 336.355 2.649 20 0 EFADML CCC[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])c1nnn[n-]1 ZINC000678315899 1449527381 /nfs/dbraw/zinc/52/73/81/1449527381.db2.gz OXPCPDDRZZUWKM-CYBMUJFWSA-N -2 1 345.790 2.983 20 0 EFADML C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1c(F)cccc1F ZINC000824046236 1449836051 /nfs/dbraw/zinc/83/60/51/1449836051.db2.gz RLMYKUSQFVTJDK-MRVPVSSYSA-N -2 1 345.309 2.593 20 0 EFADML O=C([O-])c1ccc(-c2nc3ccc(-c4nnn[n-]4)cc3[nH]2)c(Cl)c1 ZINC000826462429 1449904260 /nfs/dbraw/zinc/90/42/60/1449904260.db2.gz XXILZEHYHLVGFP-UHFFFAOYSA-N -2 1 340.730 2.762 20 0 EFADML Cc1cc(=O)[nH]c([C@@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)n1 ZINC000822210907 1450227435 /nfs/dbraw/zinc/22/74/35/1450227435.db2.gz WDIMFPJTCTXWQC-SNVBAGLBSA-N -2 1 343.416 2.536 20 0 EFADML CCCCC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-] ZINC000909343753 721496303 /nfs/dbraw/zinc/49/63/03/721496303.db2.gz VGZWIQCSEBRNGM-LLVKDONJSA-N -2 1 329.780 2.818 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC000320752929 723358756 /nfs/dbraw/zinc/35/87/56/723358756.db2.gz WDYWRKPJANYOQM-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML O=C([O-])CC[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000909484123 723496542 /nfs/dbraw/zinc/49/65/42/723496542.db2.gz OGHKBQSKWAYIBZ-NSHDSACASA-N -2 1 346.358 2.797 20 0 EFADML O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000909494153 723522640 /nfs/dbraw/zinc/52/26/40/723522640.db2.gz MOXFQMQEVCRXSG-JTQLQIEISA-N -2 1 331.290 2.880 20 0 EFADML CC(C)(CCC(=O)[O-])NC(=O)c1cc(Br)ccc1[O-] ZINC000232524952 724063303 /nfs/dbraw/zinc/06/33/03/724063303.db2.gz FFUNCUDKUFSUGL-UHFFFAOYSA-N -2 1 330.178 2.528 20 0 EFADML O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3[O-])[C@@H]2C1 ZINC000907950813 727061621 /nfs/dbraw/zinc/06/16/21/727061621.db2.gz ZGVWSDCXPAGSDL-FCMYFTRRSA-N -2 1 343.301 2.640 20 0 EFADML O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ncc2ccccc2c1[O-] ZINC000908606427 727224308 /nfs/dbraw/zinc/22/43/08/727224308.db2.gz DBWARKVDXAJMBI-CQDKDKBSSA-N -2 1 340.379 2.798 20 0 EFADML CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000909702736 727364409 /nfs/dbraw/zinc/36/44/09/727364409.db2.gz INGAETSSCRRTMP-HNNXBMFYSA-N -2 1 345.317 2.984 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000909841940 727388524 /nfs/dbraw/zinc/38/85/24/727388524.db2.gz VSMVSOGMRLJERA-INIZCTEOSA-N -2 1 341.791 2.771 20 0 EFADML C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000909842238 727388841 /nfs/dbraw/zinc/38/88/41/727388841.db2.gz XCXXMBCCKNORET-CQSZACIVSA-N -2 1 331.290 2.738 20 0 EFADML O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000910044638 727407847 /nfs/dbraw/zinc/40/78/47/727407847.db2.gz RCTISNCAEUSGSR-NSHDSACASA-N -2 1 331.290 2.880 20 0 EFADML O=C([O-])[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])[C@H]2CCC[C@@H]21 ZINC000910249279 727423781 /nfs/dbraw/zinc/42/37/81/727423781.db2.gz XBONVQWNNSGTHN-KFWWJZLASA-N -2 1 340.379 2.656 20 0 EFADML O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1c([O-])cnc3c(F)cccc31)CC2 ZINC000910397858 727436654 /nfs/dbraw/zinc/43/66/54/727436654.db2.gz FPSQZMYYFYOIGK-ACJLOTCBSA-N -2 1 344.342 2.549 20 0 EFADML CCOc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)cc(Cl)c1[O-] ZINC000836717785 939223535 /nfs/dbraw/zinc/22/35/35/939223535.db2.gz ZHBFGBHLXLDLSA-UHFFFAOYSA-N -2 1 341.791 2.962 20 0 EFADML O=C([O-])[C@H]1CN(C(=O)c2ncc3ccccc3c2[O-])Cc2ccccc21 ZINC001601847383 971075081 /nfs/dbraw/zinc/07/50/81/971075081.db2.gz HBWASPBYVXNEOC-INIZCTEOSA-N -2 1 348.358 2.765 20 0 EFADML Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2[nH]1 ZINC000325565593 971227007 /nfs/dbraw/zinc/22/70/07/971227007.db2.gz MVINNLOHUTXKOI-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML O=C([O-])CCCCCNC(=O)c1ccc(Br)cc1[O-] ZINC000044483526 948896967 /nfs/dbraw/zinc/89/69/67/948896967.db2.gz VJQUOFCAAWUKRD-UHFFFAOYSA-N -2 1 330.178 2.530 20 0 EFADML O=C([O-])c1ccccc1C1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC001595250830 949555617 /nfs/dbraw/zinc/55/56/17/949555617.db2.gz YQGGIUJHGJBJTB-UHFFFAOYSA-N -2 1 326.352 2.505 20 0 EFADML O=Cc1ccc(-c2ccc([O-])c(C(=O)NC3(C(=O)[O-])CCCC3)c2)o1 ZINC001595295597 950127349 /nfs/dbraw/zinc/12/73/49/950127349.db2.gz WCSAELJLDKEBPJ-UHFFFAOYSA-N -2 1 343.335 2.592 20 0 EFADML O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])Cc2ccccc21 ZINC000321067716 951009175 /nfs/dbraw/zinc/00/91/75/951009175.db2.gz QEVUZUFSFQHGRJ-AWEZNQCLSA-N -2 1 331.755 2.870 20 0 EFADML CCOc1cc(-c2noc(CCCC(=O)[O-])n2)cc(Cl)c1[O-] ZINC001592008836 951289752 /nfs/dbraw/zinc/28/97/52/951289752.db2.gz ALEYXPQKRDWGQM-UHFFFAOYSA-N -2 1 326.736 2.902 20 0 EFADML O=C([O-])CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC001595066462 951552138 /nfs/dbraw/zinc/55/21/38/951552138.db2.gz LJXOHGWXUGBEKX-UHFFFAOYSA-N -2 1 347.392 2.535 20 0 EFADML O=C([O-])c1ccc(C(=O)Nc2cccc([O-])c2Br)cn1 ZINC001594810535 953813000 /nfs/dbraw/zinc/81/30/00/953813000.db2.gz JNPXUGWLDDMYEN-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML C[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC[C@@H]1C(=O)[O-] ZINC001589383878 954299960 /nfs/dbraw/zinc/29/99/60/954299960.db2.gz PCVZIYRVHOYOOG-ONGXEEELSA-N -2 1 348.786 2.777 20 0 EFADML CCC(CC)(C(=O)[O-])C(=O)Nc1cccc([O-])c1Br ZINC001589479860 954967232 /nfs/dbraw/zinc/96/72/32/954967232.db2.gz CIYSOUVMDPWMRN-UHFFFAOYSA-N -2 1 330.178 2.984 20 0 EFADML CC[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC000844784166 955677179 /nfs/dbraw/zinc/67/71/79/955677179.db2.gz HGUDDSYFXFHSOU-ZCFIWIBFSA-N -2 1 344.191 2.522 20 0 EFADML Cn1nc(C(=O)[O-])cc1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001594567455 955852241 /nfs/dbraw/zinc/85/22/41/955852241.db2.gz ANTGXGPWXPNTQE-UHFFFAOYSA-N -2 1 345.742 2.883 20 0 EFADML CCCC[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)[O-] ZINC000044483657 957446071 /nfs/dbraw/zinc/44/60/71/957446071.db2.gz URBJIZHWWLUJGM-SNVBAGLBSA-N -2 1 330.178 2.528 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)c(F)cc1F ZINC000047383486 957456524 /nfs/dbraw/zinc/45/65/24/957456524.db2.gz OFVAMZPZGPGWPM-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc2ccccc2c1[O-] ZINC000391430658 972336351 /nfs/dbraw/zinc/33/63/51/972336351.db2.gz MANLULDUSFFHPY-NSHDSACASA-N -2 1 327.258 2.681 20 0 EFADML O=C([O-])c1ccc(-c2ccc(/C=C/c3cc(=O)n4[n-]cnc4n3)o2)cc1 ZINC001258513247 960659844 /nfs/dbraw/zinc/65/98/44/960659844.db2.gz UFYATFLKBTVJRP-AATRIKPKSA-N -2 1 348.318 2.546 20 0 EFADML CCOc1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc(Cl)c1[O-] ZINC001573919022 961516481 /nfs/dbraw/zinc/51/64/81/961516481.db2.gz XHSGUCPSVBDFKR-UHFFFAOYSA-N -2 1 336.731 2.790 20 0 EFADML COc1cccc([O-])c1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001571174074 962078730 /nfs/dbraw/zinc/07/87/30/962078730.db2.gz FVOZWLHIZVWPLJ-QWHCGFSZSA-N -2 1 327.336 2.841 20 0 EFADML CC[C@@](CNC(=O)c1cc(F)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001571195348 962298467 /nfs/dbraw/zinc/29/84/67/962298467.db2.gz AQOGPRSKSLSFFB-SFHVURJKSA-N -2 1 331.343 2.694 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)ccc1C(=O)[O-] ZINC000307918915 963240013 /nfs/dbraw/zinc/24/00/13/963240013.db2.gz WIAGIAGVUIUMFK-UHFFFAOYSA-N -2 1 334.328 2.505 20 0 EFADML CCOc1ccc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])cc1 ZINC000317507450 970366779 /nfs/dbraw/zinc/36/67/79/970366779.db2.gz DITJTHITVVDNRZ-UHFFFAOYSA-N -2 1 341.410 2.954 20 0 EFADML O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000319934597 970591210 /nfs/dbraw/zinc/59/12/10/970591210.db2.gz GJFPPCLTZILRSH-CQSZACIVSA-N -2 1 331.755 2.697 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000393140713 972565549 /nfs/dbraw/zinc/56/55/49/972565549.db2.gz XPPDDYXNYXANJY-ZDUSSCGKSA-N -2 1 349.431 2.767 20 0 EFADML C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001603389109 973000978 /nfs/dbraw/zinc/00/09/78/973000978.db2.gz XGLGOWWHYPDSGV-ZYHUDNBSSA-N -2 1 329.352 2.576 20 0 EFADML C[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1C(=O)[O-] ZINC001603410733 973091882 /nfs/dbraw/zinc/09/18/82/973091882.db2.gz WZFVKZCJOLKTOS-ZUZCIYMTSA-N -2 1 329.352 2.576 20 0 EFADML CC(C)(C)C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC000401275705 973349364 /nfs/dbraw/zinc/34/93/64/973349364.db2.gz FSZILXJZCROPSL-JTQLQIEISA-N -2 1 344.205 2.774 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H]1c1ccccc1 ZINC001606427480 973873640 /nfs/dbraw/zinc/87/36/40/973873640.db2.gz ORPAPPWYGPLLLL-QWHCGFSZSA-N -2 1 345.782 2.986 20 0 EFADML C[C@H](CN(Cc1ccccc1)C(=O)c1cccc([O-])c1F)C(=O)[O-] ZINC001592606228 978553722 /nfs/dbraw/zinc/55/37/22/978553722.db2.gz WWVPNVWHZSOSHV-GFCCVEGCSA-N -2 1 331.343 2.894 20 0 EFADML Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2[O-])C(=O)[O-])cc1 ZINC000738567498 978562414 /nfs/dbraw/zinc/56/24/14/978562414.db2.gz OLOVGXSCFUUYSQ-CQSZACIVSA-N -2 1 333.771 2.952 20 0 EFADML O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000837286951 979270106 /nfs/dbraw/zinc/27/01/06/979270106.db2.gz PKKLANHHOHJVQB-UHFFFAOYSA-N -2 1 343.376 2.885 20 0 EFADML O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCCC1 ZINC000903029100 980953536 /nfs/dbraw/zinc/95/35/36/980953536.db2.gz DNOWCDPKJFMVTA-ZDUSSCGKSA-N -2 1 337.397 2.745 20 0 EFADML CCc1c(C)[n-]n(-c2cc(C(=O)[O-])ccc2Br)c1=O ZINC001595401041 980974920 /nfs/dbraw/zinc/97/49/20/980974920.db2.gz GHXXIUMSEDJBIQ-SECBINFHSA-N -2 1 325.162 2.896 20 0 EFADML CCc1c(=O)n(-c2ccc(C(=O)[O-])cn2)[n-]c1-c1cccc(OC)c1 ZINC001595402093 980978404 /nfs/dbraw/zinc/97/84/04/980978404.db2.gz SWDZTHNZRZFRPV-AWEZNQCLSA-N -2 1 339.351 2.566 20 0 EFADML CCCCOc1ccc(C(=O)Nc2cccc(CC(=O)[O-])n2)c([O-])c1 ZINC001595776559 982543592 /nfs/dbraw/zinc/54/35/92/982543592.db2.gz DZRVOZOBHXAIBO-UHFFFAOYSA-N -2 1 344.367 2.846 20 0 EFADML CCCOc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001595969076 983188239 /nfs/dbraw/zinc/18/82/39/983188239.db2.gz LHNOKXSNNZACTB-UHFFFAOYSA-N -2 1 335.381 2.974 20 0 EFADML CCN(C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(C)(C)C(=O)[O-] ZINC001596161461 983525679 /nfs/dbraw/zinc/52/56/79/983525679.db2.gz XIBNVDSRGWNWCN-UHFFFAOYSA-N -2 1 345.351 2.790 20 0 EFADML C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001588661974 983788387 /nfs/dbraw/zinc/78/83/87/983788387.db2.gz VOMRJFFJSDTVFT-UHFFFAOYSA-N -2 1 344.298 2.606 20 0 EFADML CC(=O)c1cc(F)c([N-]C(=O)c2csc(C(=O)[O-])n2)c(F)c1F ZINC001589271337 985972968 /nfs/dbraw/zinc/97/29/68/985972968.db2.gz ZNZVSRAJNPRLKC-UHFFFAOYSA-N -2 1 344.270 2.714 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1 ZINC001589291000 986034132 /nfs/dbraw/zinc/03/41/32/986034132.db2.gz KOWAVTUCTQBCEO-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC001589310880 986087872 /nfs/dbraw/zinc/08/78/72/986087872.db2.gz CYRHXPYDCWFDDU-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML CCOc1cc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc(Cl)c1[O-] ZINC001596999468 986307917 /nfs/dbraw/zinc/30/79/17/986307917.db2.gz XLTSMZKNBLQYDM-FVMDXXJSSA-N -2 1 341.791 2.627 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC001597161988 986970262 /nfs/dbraw/zinc/97/02/62/986970262.db2.gz RMGNSYAATSKUBH-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML CCc1cc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)ccc1F ZINC001597482499 987978251 /nfs/dbraw/zinc/97/82/51/987978251.db2.gz JFIUOPUEIJYRFK-UHFFFAOYSA-N -2 1 338.360 2.591 20 0 EFADML CCc1cc2c(COC(=O)C(C)(C)CC(=O)[O-])cc(=O)oc2cc1[O-] ZINC001597489560 988011412 /nfs/dbraw/zinc/01/14/12/988011412.db2.gz LMFAALOEYLYQDO-UHFFFAOYSA-N -2 1 348.351 2.605 20 0 EFADML CC(C)(C)C[C@H](OC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC001589762056 988096387 /nfs/dbraw/zinc/09/63/87/988096387.db2.gz WKJVIPNFZBSICK-ZDUSSCGKSA-N -2 1 332.356 2.624 20 0 EFADML CC(C)(CC[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C1CC1 ZINC001590689458 990404869 /nfs/dbraw/zinc/40/48/69/990404869.db2.gz JFWOLWAYPXHGEK-UHFFFAOYSA-N -2 1 347.383 2.768 20 0 EFADML COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2ccc([O-])c(F)c2)c1 ZINC001599654425 994555334 /nfs/dbraw/zinc/55/53/34/994555334.db2.gz YIWZEHZFMAGMMK-SFHVURJKSA-N -2 1 347.342 2.660 20 0 EFADML COc1cccc([C@H](Sc2nc(C3CC3)cc(=O)[n-]2)C(=O)[O-])c1 ZINC001599660938 994655207 /nfs/dbraw/zinc/65/52/07/994655207.db2.gz JJWVXXHAOGLMLL-AWEZNQCLSA-N -2 1 332.381 2.986 20 0 EFADML COc1ccc([C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C(=O)[O-])cc1 ZINC001599518332 997432542 /nfs/dbraw/zinc/43/25/42/997432542.db2.gz HEGYNIOHECQRPR-MRXNPFEDSA-N -2 1 349.770 2.539 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])ccc1F ZINC001599445463 998002263 /nfs/dbraw/zinc/00/22/63/998002263.db2.gz LZZJPDOYBPJMKA-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc(Cl)c1[O-] ZINC001599351533 998103043 /nfs/dbraw/zinc/10/30/43/998103043.db2.gz BNTOYZBVWHQABI-LLVKDONJSA-N -2 1 347.754 2.883 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)ccc1C(=O)[O-] ZINC001599458974 998237703 /nfs/dbraw/zinc/23/77/03/998237703.db2.gz AHRKNSCWQBFSFN-UHFFFAOYSA-N -2 1 347.392 2.683 20 0 EFADML COCCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001599255760 998305943 /nfs/dbraw/zinc/30/59/43/998305943.db2.gz GVIXAVUSKPKJHV-UHFFFAOYSA-N -2 1 349.314 2.507 20 0 EFADML C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)[C@H]1C ZINC001594348613 999321504 /nfs/dbraw/zinc/32/15/04/999321504.db2.gz RLPKIJSCNSAKRK-KXUCPTDWSA-N -2 1 349.836 2.982 20 0 EFADML C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H](C(=O)[O-])C1 ZINC001594410125 999530629 /nfs/dbraw/zinc/53/06/29/999530629.db2.gz JYPBTGDEIUNDPQ-KCJUWKMLSA-N -2 1 331.290 2.736 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001211542936 1092767027 /nfs/dbraw/zinc/76/70/27/1092767027.db2.gz ULSBUEQKGVCIBE-UHFFFAOYSA-N -2 1 335.381 2.936 20 0 EFADML C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001594343759 1094425716 /nfs/dbraw/zinc/42/57/16/1094425716.db2.gz QAHILKHDTFLLCA-RKDXNWHRSA-N -2 1 347.383 2.766 20 0 EFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(CCC(=O)[O-])c1 ZINC001600022387 1094726938 /nfs/dbraw/zinc/72/69/38/1094726938.db2.gz DKULOIPWHBXPSF-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)c1 ZINC001600186020 1094851055 /nfs/dbraw/zinc/85/10/55/1094851055.db2.gz NMVBHPIEFRRWJR-MRXNPFEDSA-N -2 1 347.411 2.914 20 0 EFADML Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1N ZINC001600219894 1094896384 /nfs/dbraw/zinc/89/63/84/1094896384.db2.gz IAKPSEAKHJWXCX-UHFFFAOYSA-N -2 1 340.788 2.730 20 0 EFADML Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)oc1C(=O)[O-] ZINC001600297642 1094954198 /nfs/dbraw/zinc/95/41/98/1094954198.db2.gz UVWPUZGAHBRZKH-LLVKDONJSA-N -2 1 345.323 2.571 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c[nH]nc2cc1C ZINC001600306715 1094957616 /nfs/dbraw/zinc/95/76/16/1094957616.db2.gz JSGRUFSDMDSYDA-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2N(C)C)c1 ZINC001600550195 1095156215 /nfs/dbraw/zinc/15/62/15/1095156215.db2.gz JWWXDNUESCHURO-UHFFFAOYSA-N -2 1 334.397 2.560 20 0 EFADML Cc1nc(NC(=O)c2ccc3ccc(O)cc3c2[O-])sc1C(=O)[O-] ZINC001600713829 1095281605 /nfs/dbraw/zinc/28/16/05/1095281605.db2.gz IVHFGKZWNFSEJZ-UHFFFAOYSA-N -2 1 344.348 2.966 20 0 EFADML Cc1oc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)cc1C(=O)[O-] ZINC001600855760 1095385108 /nfs/dbraw/zinc/38/51/08/1095385108.db2.gz ZBFZCENSFCUQIF-VIFPVBQESA-N -2 1 343.323 2.542 20 0 EFADML Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)c1cccc([O-])c1F ZINC001600909936 1095422698 /nfs/dbraw/zinc/42/26/98/1095422698.db2.gz XKSZFWRQVWMLKD-CYBMUJFWSA-N -2 1 346.358 2.935 20 0 EFADML Nc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cccc1C(=O)[O-] ZINC001601208515 1095553383 /nfs/dbraw/zinc/55/33/83/1095553383.db2.gz BXNUDUWKFXDNSR-UHFFFAOYSA-N -2 1 346.408 2.647 20 0 EFADML O=C([O-])[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC001601654969 1095787108 /nfs/dbraw/zinc/78/71/08/1095787108.db2.gz HLNPFCCRXJJBTF-JTQLQIEISA-N -2 1 345.829 2.548 20 0 EFADML O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C1CCCCC1 ZINC001601679006 1095812373 /nfs/dbraw/zinc/81/23/73/1095812373.db2.gz IADBCVBBWXODLK-GFCCVEGCSA-N -2 1 349.811 2.791 20 0 EFADML O=C([O-])[C@@]1(C(=O)Nc2cc(F)cc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001601705135 1095848803 /nfs/dbraw/zinc/84/88/03/1095848803.db2.gz ZILHFDPPRSWQKW-GTNSWQLSSA-N -2 1 333.290 2.867 20 0 EFADML O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC001601804019 1095909372 /nfs/dbraw/zinc/90/93/72/1095909372.db2.gz KMFKYJVQOZEWCQ-BDAKNGLRSA-N -2 1 342.189 2.984 20 0 EFADML O=C([O-])CC[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccns1 ZINC001601972079 1095999833 /nfs/dbraw/zinc/99/98/33/1095999833.db2.gz JQICWVKFWRLKSK-GFCCVEGCSA-N -2 1 346.474 2.625 20 0 EFADML O=C([O-])CCCOc1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC001601998125 1096013167 /nfs/dbraw/zinc/01/31/67/1096013167.db2.gz VDMFCQGBECKVGA-UHFFFAOYSA-N -2 1 347.342 2.705 20 0 EFADML O=C([O-])CCc1ccccc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001602045317 1096035164 /nfs/dbraw/zinc/03/51/64/1096035164.db2.gz SGXXMAREWFCRQM-UHFFFAOYSA-N -2 1 349.333 2.660 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC001602142494 1096087024 /nfs/dbraw/zinc/08/70/24/1096087024.db2.gz FNSRTMQVBDKLKU-UHFFFAOYSA-N -2 1 342.376 2.663 20 0 EFADML O=C([O-])Cc1ccnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC001602149021 1096090981 /nfs/dbraw/zinc/09/09/81/1096090981.db2.gz AKQDBEMQBWFUQL-UHFFFAOYSA-N -2 1 340.379 2.514 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCCC3(CC3)C2)c1F ZINC001602273654 1096153503 /nfs/dbraw/zinc/15/35/03/1096153503.db2.gz PLLWHLPEKLMTCW-SNVBAGLBSA-N -2 1 345.367 2.664 20 0 EFADML O=C([O-])c1ccc2c(c1)CCN2Cc1ncc(Br)cc1[O-] ZINC001602418195 1096233335 /nfs/dbraw/zinc/23/33/35/1096233335.db2.gz CQGGOSBCTWVSFW-UHFFFAOYSA-N -2 1 349.184 2.811 20 0 EFADML O=C([O-])c1ccc2cc(CCNC(=O)c3c([O-])cccc3F)oc2c1 ZINC001602429795 1096241155 /nfs/dbraw/zinc/24/11/55/1096241155.db2.gz NCDABSNLGOPWKP-UHFFFAOYSA-N -2 1 343.310 2.948 20 0 EFADML O=C([O-])c1cccc(CS(=O)(=O)[N-]c2cc(C3CC3)ccn2)c1 ZINC001602440704 1096247712 /nfs/dbraw/zinc/24/77/12/1096247712.db2.gz FLBFRPKVEJIBDV-UHFFFAOYSA-N -2 1 332.381 2.599 20 0 EFADML O=C([O-])c1ccoc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC001602487476 1096270599 /nfs/dbraw/zinc/27/05/99/1096270599.db2.gz PYWLVJIQBFMQHQ-UHFFFAOYSA-N -2 1 336.369 2.648 20 0 EFADML O=C([O-])[C@H](OC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC001602600098 1096315723 /nfs/dbraw/zinc/31/57/23/1096315723.db2.gz BJXJQEQCYOXTCC-MRXNPFEDSA-N -2 1 338.319 2.561 20 0 EFADML CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)[nH]n1 ZINC001603338708 1096508621 /nfs/dbraw/zinc/50/86/21/1096508621.db2.gz GWCKCCSCYNVMPF-UHFFFAOYSA-N -2 1 343.430 2.559 20 0 EFADML CC(C)C(C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(C)C ZINC001603722770 1096601748 /nfs/dbraw/zinc/60/17/48/1096601748.db2.gz NGWTYIIBZAEGNH-UHFFFAOYSA-N -2 1 349.399 2.870 20 0 EFADML CC(C)c1cccc(-n2cc([O-])c(C(=O)O[C@@H](C(=O)[O-])C3CC3)n2)c1 ZINC001604004270 1096695178 /nfs/dbraw/zinc/69/51/78/1096695178.db2.gz KGGFVNOQVGLATL-MRXNPFEDSA-N -2 1 344.367 2.721 20 0 EFADML CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001604991803 1096995166 /nfs/dbraw/zinc/99/51/66/1096995166.db2.gz JLRLDQMYWKSCSR-UHFFFAOYSA-N -2 1 335.372 2.585 20 0 EFADML CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(Br)cc1[O-] ZINC001604991942 1096996133 /nfs/dbraw/zinc/99/61/33/1096996133.db2.gz WMPNWZNPRYTXSM-UHFFFAOYSA-N -2 1 344.205 2.918 20 0 EFADML CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001605160532 1097037845 /nfs/dbraw/zinc/03/78/45/1097037845.db2.gz HEZJOTHJDFBZGY-BDAKNGLRSA-N -2 1 335.809 2.878 20 0 EFADML CCCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605255558 1097070349 /nfs/dbraw/zinc/07/03/49/1097070349.db2.gz WVXTVABDHZGJBZ-VIFPVBQESA-N -2 1 335.372 2.910 20 0 EFADML CCCc1cc(=O)[n-]c(SCC(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001605372507 1097107930 /nfs/dbraw/zinc/10/79/30/1097107930.db2.gz BMTNOPBMZPFLDJ-UHFFFAOYSA-N -2 1 332.381 2.808 20 0 EFADML CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(F)c1 ZINC001605696575 1097197270 /nfs/dbraw/zinc/19/72/70/1097197270.db2.gz DERVKNOQNWOJMS-UHFFFAOYSA-N -2 1 343.332 2.625 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1 ZINC001605707396 1097201883 /nfs/dbraw/zinc/20/18/83/1097201883.db2.gz JJFLJNLLGCXEFO-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML CCc1onc(-c2ccccc2)c1C(=O)[N-]c1nc(C(=O)[O-])ns1 ZINC001605895447 1097269706 /nfs/dbraw/zinc/26/97/06/1097269706.db2.gz VIKVUPDJFDKLMT-UHFFFAOYSA-N -2 1 344.352 2.706 20 0 EFADML O=P([O-])([O-])C1(Nc2nccc3ccncc32)Cc2ccccc2C1 ZINC001167931650 1097315684 /nfs/dbraw/zinc/31/56/84/1097315684.db2.gz GJSKOZAVSYNPTL-UHFFFAOYSA-N -2 1 341.307 2.715 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3[nH]ccc3n2)Cc2ccccc2C1 ZINC001167932660 1097319654 /nfs/dbraw/zinc/31/96/54/1097319654.db2.gz UYTAKQKCBJIDIZ-UHFFFAOYSA-N -2 1 329.296 2.648 20 0 EFADML CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC001606161023 1097332975 /nfs/dbraw/zinc/33/29/75/1097332975.db2.gz LQAOEIYQRJFECC-UHFFFAOYSA-N -2 1 349.770 2.781 20 0 EFADML Cc1ncc(Cl)nc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167934432 1097338081 /nfs/dbraw/zinc/33/80/81/1097338081.db2.gz SOPCMXMAKDVBAO-UHFFFAOYSA-N -2 1 339.719 2.523 20 0 EFADML Cc1cc2nc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)ccc2[nH]1 ZINC001167934975 1097340477 /nfs/dbraw/zinc/34/04/77/1097340477.db2.gz YLQJKKKIKAQGNZ-UHFFFAOYSA-N -2 1 343.323 2.956 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3c(c2)NCCO3)Cc2ccccc2C1 ZINC001167935582 1097347753 /nfs/dbraw/zinc/34/77/53/1097347753.db2.gz PRXZSBOVVBGPOF-UHFFFAOYSA-N -2 1 346.323 2.576 20 0 EFADML O=P([O-])([O-])C1(Nc2cccc3c2CCN3)Cc2ccccc2C1 ZINC001167937116 1097365107 /nfs/dbraw/zinc/36/51/07/1097365107.db2.gz RVIRZWJWYHTZTO-UHFFFAOYSA-N -2 1 330.324 2.739 20 0 EFADML O=P([O-])([O-])C1(Nc2cccc3c2COC3)Cc2ccccc2C1 ZINC001167939969 1097389431 /nfs/dbraw/zinc/38/94/31/1097389431.db2.gz SSIXATCDRMZGJZ-UHFFFAOYSA-N -2 1 331.308 2.802 20 0 EFADML Cc1nc2cncc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)c2o1 ZINC001167940288 1097397709 /nfs/dbraw/zinc/39/77/09/1097397709.db2.gz UKRGVQUPPBZNHB-UHFFFAOYSA-N -2 1 345.295 2.616 20 0 EFADML COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC001606941179 1097477633 /nfs/dbraw/zinc/47/76/33/1097477633.db2.gz WKQPAMIXFOLVOU-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC001606966041 1097483982 /nfs/dbraw/zinc/48/39/82/1097483982.db2.gz OAHNGVHBZGQFGN-GFCCVEGCSA-N -2 1 349.408 2.822 20 0 EFADML COc1cccc(C)c1[N-]S(=O)(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC001607316043 1097597733 /nfs/dbraw/zinc/59/77/33/1097597733.db2.gz QCPUWFBVRFFEHL-CQSZACIVSA-N -2 1 349.408 2.614 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC001607325667 1097601802 /nfs/dbraw/zinc/60/18/02/1097601802.db2.gz BEUYVBRVWVVOTQ-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1cc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[n-]2)ccc1C(=O)[O-] ZINC001607692675 1097701470 /nfs/dbraw/zinc/70/14/70/1097701470.db2.gz LEDVGWLDEUNRKP-UHFFFAOYSA-N -2 1 345.355 2.624 20 0 EFADML Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001607710045 1097705103 /nfs/dbraw/zinc/70/51/03/1097705103.db2.gz WXZCXNAQHRLWDQ-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1ccc([C@@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)C(=O)[O-])cc1 ZINC001607756638 1097722203 /nfs/dbraw/zinc/72/22/03/1097722203.db2.gz AOXGTOLZAPCMGI-CQSZACIVSA-N -2 1 347.798 2.881 20 0 EFADML Cc1cnc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c([O-])c1 ZINC001607902892 1097773101 /nfs/dbraw/zinc/77/31/01/1097773101.db2.gz GIKHBMRRBVNYSB-KGLIPLIRSA-N -2 1 332.400 2.591 20 0 EFADML O=C([O-])c1ccc(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC001608359263 1097901794 /nfs/dbraw/zinc/90/17/94/1097901794.db2.gz GHRHEJGOBNNRAP-UHFFFAOYSA-N -2 1 337.335 2.662 20 0 EFADML O=C([O-])[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1cccs1 ZINC001608388262 1097909434 /nfs/dbraw/zinc/90/94/34/1097909434.db2.gz QUNLGOOGNLIRIS-GFCCVEGCSA-N -2 1 328.349 2.558 20 0 EFADML O=C([O-])[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1ccccc1 ZINC001608485257 1097930449 /nfs/dbraw/zinc/93/04/49/1097930449.db2.gz ICRQRNAIPCZIHI-MRXNPFEDSA-N -2 1 337.331 2.807 20 0 EFADML O=C([O-])[C@@H](CS(=O)(=O)[N-]c1cc(F)ccc1F)c1ccccc1 ZINC001608541100 1097945571 /nfs/dbraw/zinc/94/55/71/1097945571.db2.gz YNUGAQYZYCSLPE-LBPRGKRZSA-N -2 1 341.335 2.575 20 0 EFADML O=C([O-])CC1(CC(=O)NCCc2c(F)cc([O-])cc2F)CCCC1 ZINC001608677462 1097986983 /nfs/dbraw/zinc/98/69/83/1097986983.db2.gz YGVQVZGJGIMTLD-UHFFFAOYSA-N -2 1 341.354 2.754 20 0 EFADML O=C([O-])CC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCCC1 ZINC001608685770 1097990254 /nfs/dbraw/zinc/99/02/54/1097990254.db2.gz TZVYBNRCZCPJCY-UHFFFAOYSA-N -2 1 331.290 2.928 20 0 EFADML O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])cc1F ZINC001608705279 1097995304 /nfs/dbraw/zinc/99/53/04/1097995304.db2.gz JGDTXQVZIVLMPO-ZDUSSCGKSA-N -2 1 331.343 2.737 20 0 EFADML O=C([O-])CCCc1nnc([N-]C(=O)c2cc(F)c(F)cc2F)s1 ZINC001608719933 1098000518 /nfs/dbraw/zinc/00/05/18/1098000518.db2.gz BLJAUJOWQZPMOW-UHFFFAOYSA-N -2 1 345.302 2.615 20 0 EFADML O=C([O-])CN(CCc1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC001608746243 1098009353 /nfs/dbraw/zinc/00/93/53/1098009353.db2.gz ZUZWLSVPUGRKIX-UHFFFAOYSA-N -2 1 333.771 2.815 20 0 EFADML O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001608771374 1098015673 /nfs/dbraw/zinc/01/56/73/1098015673.db2.gz KSPNEGWBHBQXPP-XHDPSFHLSA-N -2 1 329.352 2.624 20 0 EFADML O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2cccc(F)c2F)c1F ZINC001608827852 1098035052 /nfs/dbraw/zinc/03/50/52/1098035052.db2.gz BDKGUBBHUKQZKB-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)oc1Cl ZINC001608860341 1098047525 /nfs/dbraw/zinc/04/75/25/1098047525.db2.gz GJLDFFLFJDHLHM-MWLCHTKSSA-N -2 1 347.820 2.878 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)oc1Cl ZINC001608862246 1098048218 /nfs/dbraw/zinc/04/82/18/1098048218.db2.gz DHDJFIJAXJDFLA-IONNQARKSA-N -2 1 347.801 2.527 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)nc1 ZINC001608905349 1098066235 /nfs/dbraw/zinc/06/62/35/1098066235.db2.gz SAFJGCVUFPXZSZ-UHFFFAOYSA-N -2 1 344.751 2.514 20 0 EFADML O=C([O-])c1ccc2c(c1)CCN(C(=O)c1cc(Cl)ccc1[O-])C2 ZINC001608921617 1098073649 /nfs/dbraw/zinc/07/36/49/1098073649.db2.gz WUOPTZKFDVRIBM-UHFFFAOYSA-N -2 1 331.755 2.942 20 0 EFADML O=C([O-])c1ccccc1CC1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC001608945321 1098086391 /nfs/dbraw/zinc/08/63/91/1098086391.db2.gz MALDMYUGNWZKCN-UHFFFAOYSA-N -2 1 340.379 2.580 20 0 EFADML O=C([O-])c1cnc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Cl)c1 ZINC001608978278 1098095821 /nfs/dbraw/zinc/09/58/21/1098095821.db2.gz MEJFNMZIZHTJOP-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML C[C@@H](NC(=O)c1ccc([O-])cc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609771430 1098452417 /nfs/dbraw/zinc/45/24/17/1098452417.db2.gz IFEFXNHBQHTLJO-IAQYHMDHSA-N -2 1 331.343 2.593 20 0 EFADML C[C@]1(C(=O)[O-])CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001609810371 1098464540 /nfs/dbraw/zinc/46/45/40/1098464540.db2.gz OLBQMMYYYLWLBL-KRWDZBQOSA-N -2 1 348.786 2.921 20 0 EFADML CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(F)(F)F ZINC001609902953 1098489415 /nfs/dbraw/zinc/48/94/15/1098489415.db2.gz ZLSCFVGVORWKNK-WKEGUHRASA-N -2 1 343.323 2.542 20 0 EFADML CC[C@@](CNC(=O)c1ccc([O-])c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001609920586 1098494894 /nfs/dbraw/zinc/49/48/94/1098494894.db2.gz QUQCAKHCOLOJTF-SFHVURJKSA-N -2 1 331.343 2.694 20 0 EFADML C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1Cl ZINC001610395966 1098653007 /nfs/dbraw/zinc/65/30/07/1098653007.db2.gz XUNXRINIBCGMLG-ZETCQYMHSA-N -2 1 346.817 2.534 20 0 EFADML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001610442965 1098680766 /nfs/dbraw/zinc/68/07/66/1098680766.db2.gz YCFIXVHDRUKZKT-UHFFFAOYSA-N -2 1 348.302 2.841 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1O ZINC001610456602 1098689338 /nfs/dbraw/zinc/68/93/38/1098689338.db2.gz WEWPRYUVPOFZTH-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])ccc12 ZINC001610549750 1098746104 /nfs/dbraw/zinc/74/61/04/1098746104.db2.gz VCRGGAGXXSCQLG-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1oc(CSCCC[N-]C(=O)C(F)(F)F)cc1C(=O)[O-] ZINC001610586485 1098770300 /nfs/dbraw/zinc/77/03/00/1098770300.db2.gz LZWSEEZSHKMUSQ-UHFFFAOYSA-N -2 1 325.308 2.588 20 0 EFADML O=C([O-])CCSc1ncccc1[N-]C(=O)c1ocnc1C1CC1 ZINC001610778451 1098882976 /nfs/dbraw/zinc/88/29/76/1098882976.db2.gz ZKPTURZDBJIFIE-UHFFFAOYSA-N -2 1 333.369 2.766 20 0 EFADML O=C([O-])c1ccc([C@H](NC(=O)c2ncccc2[O-])C(F)(F)F)cc1 ZINC001610825579 1098916261 /nfs/dbraw/zinc/91/62/61/1098916261.db2.gz QDPIUNJUXGIVEN-LBPRGKRZSA-N -2 1 340.257 2.519 20 0 EFADML O=C([O-])c1ccccc1OCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC001610853405 1098937502 /nfs/dbraw/zinc/93/75/02/1098937502.db2.gz RFWOLHBCLSBVFP-UHFFFAOYSA-N -2 1 332.381 2.929 20 0 EFADML Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc(F)c([O-])c1 ZINC001639298179 1100935956 /nfs/dbraw/zinc/93/59/56/1100935956.db2.gz JLPZCSOSWMRBAG-UHFFFAOYSA-N -2 1 328.303 2.583 20 0 EFADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000055311369 214306316 /nfs/dbraw/zinc/30/63/16/214306316.db2.gz LAWASHZYUOQVDI-UHFFFAOYSA-N -2 1 333.724 2.880 20 0 EFADML CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231725596 242269669 /nfs/dbraw/zinc/26/96/69/242269669.db2.gz OMGIFDUOCGOIFR-SSDOTTSWSA-N -2 1 344.191 2.664 20 0 EFADML O=C([O-])CCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000261712571 244647574 /nfs/dbraw/zinc/64/75/74/244647574.db2.gz PXCWLMCPLCVGAO-UHFFFAOYSA-N -2 1 345.726 2.502 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1 ZINC000047030375 204336903 /nfs/dbraw/zinc/33/69/03/204336903.db2.gz NLFCWAPDSCOTDT-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1F ZINC000012917530 207264181 /nfs/dbraw/zinc/26/41/81/207264181.db2.gz NEUQSUQEUHCNRP-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000013348967 207374493 /nfs/dbraw/zinc/37/44/93/207374493.db2.gz BAVSURIQNISDQX-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000680489367 549333260 /nfs/dbraw/zinc/33/32/60/549333260.db2.gz SVVIYFJACQMOEF-GFCCVEGCSA-N -2 1 349.408 2.759 20 0 EFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000350016599 142390187 /nfs/dbraw/zinc/39/01/87/142390187.db2.gz NZLUDRSRCQCUCF-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000341400640 145045837 /nfs/dbraw/zinc/04/58/37/145045837.db2.gz RQVURJFPCVXSSO-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML COCCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1 ZINC000342279735 145092601 /nfs/dbraw/zinc/09/26/01/145092601.db2.gz MFENTTKVLAQHSY-UHFFFAOYSA-N -2 1 349.408 2.683 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000351805215 146206796 /nfs/dbraw/zinc/20/67/96/146206796.db2.gz FCDGOVMUDYBDCD-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c1 ZINC000356480094 147256049 /nfs/dbraw/zinc/25/60/49/147256049.db2.gz BAWGYNBEQQWVNI-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1C(=O)[O-] ZINC000356726208 147320385 /nfs/dbraw/zinc/32/03/85/147320385.db2.gz YTVYXZIJPZREKS-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1 ZINC000360512946 148380414 /nfs/dbraw/zinc/38/04/14/148380414.db2.gz SRXDZDGSPZVOQH-UHFFFAOYSA-N -2 1 347.392 2.843 20 0 EFADML Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360525298 148382570 /nfs/dbraw/zinc/38/25/70/148382570.db2.gz NSUZBCXCQAXCCT-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1cc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000362141017 301133181 /nfs/dbraw/zinc/13/31/81/301133181.db2.gz VGUBMMSVKULSRV-USWWRNFRSA-N -2 1 344.415 2.547 20 0 EFADML CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000297247511 310871156 /nfs/dbraw/zinc/87/11/56/310871156.db2.gz QIUWGGOHYKAJCF-LURJTMIESA-N -2 1 346.257 2.834 20 0 EFADML CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000317414650 311235989 /nfs/dbraw/zinc/23/59/89/311235989.db2.gz UDPRSVNOFKVIOX-JTQLQIEISA-N -2 1 335.372 2.523 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1C ZINC000326612147 311244297 /nfs/dbraw/zinc/24/42/97/311244297.db2.gz NIGDNRSXAWDDRU-UHFFFAOYSA-N -2 1 347.392 2.833 20 0 EFADML CCOc1cc(C(=O)N(CC(=O)[O-])[C@H](C)CC)cc(Cl)c1[O-] ZINC000455808931 312982591 /nfs/dbraw/zinc/98/25/91/312982591.db2.gz ILYWWQROMVVABQ-SECBINFHSA-N -2 1 329.780 2.770 20 0 EFADML Cc1cc(C(=O)NC(CC(C)C)CC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469047895 313118702 /nfs/dbraw/zinc/11/87/02/313118702.db2.gz SXEAMWIRGGGADK-UHFFFAOYSA-N -2 1 346.431 2.935 20 0 EFADML CCc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1F ZINC000507565891 315488488 /nfs/dbraw/zinc/48/84/88/315488488.db2.gz KBSDAMZUCLVPCH-UHFFFAOYSA-N -2 1 329.374 2.949 20 0 EFADML Cc1cc(C(=O)N2CCCC3(CCCC3)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000527370758 316374709 /nfs/dbraw/zinc/37/47/09/316374709.db2.gz JSBVHTQZCXPKEN-UHFFFAOYSA-N -2 1 342.399 2.541 20 0 EFADML CCC(C)(C)CS(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC ZINC000530137368 317060424 /nfs/dbraw/zinc/06/04/24/317060424.db2.gz OBPXIOBMFNYDMP-UHFFFAOYSA-N -2 1 333.381 2.710 20 0 EFADML O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000547916292 318052714 /nfs/dbraw/zinc/05/27/14/318052714.db2.gz OXRXGQCKBYLTPL-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000547936852 318053903 /nfs/dbraw/zinc/05/39/03/318053903.db2.gz TXUCZMARXMSUNE-KOLCDFICSA-N -2 1 335.372 2.523 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1N(C)C ZINC000548198833 318083875 /nfs/dbraw/zinc/08/38/75/318083875.db2.gz LGUKJOCJFYXGPY-UHFFFAOYSA-N -2 1 348.424 2.868 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c(F)cc1F ZINC000548252522 318086401 /nfs/dbraw/zinc/08/64/01/318086401.db2.gz DSBQPIYJIKBJLS-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000548539764 318118423 /nfs/dbraw/zinc/11/84/23/318118423.db2.gz NMBIEUQJQCJBSU-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML CC1(C)CC[C@@]([N-]S(=O)(=O)c2c(F)cccc2Cl)(C(=O)[O-])C1 ZINC000551915282 318224878 /nfs/dbraw/zinc/22/48/78/318224878.db2.gz DPJFDOBXXHBTPX-AWEZNQCLSA-N -2 1 349.811 2.791 20 0 EFADML C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl ZINC000556703247 318400929 /nfs/dbraw/zinc/40/09/29/318400929.db2.gz RCCOFOZYNOTUEW-RKDXNWHRSA-N -2 1 339.866 2.959 20 0 EFADML CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000556702505 318400963 /nfs/dbraw/zinc/40/09/63/318400963.db2.gz WPUSAEUYLOCTSJ-CABZTGNLSA-N -2 1 343.376 2.740 20 0 EFADML O=C([O-])CC1(C[N-]S(=O)(=O)c2cccc(F)c2F)CCCCC1 ZINC000562321899 318634983 /nfs/dbraw/zinc/63/49/83/318634983.db2.gz ZPWYRRNIEFTZBH-UHFFFAOYSA-N -2 1 347.383 2.668 20 0 EFADML CCC[C@H](CCCC[N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000565651007 318989780 /nfs/dbraw/zinc/98/97/80/318989780.db2.gz WGEBUKDUYHAXLW-LLVKDONJSA-N -2 1 349.399 2.914 20 0 EFADML CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl ZINC000569313443 319367771 /nfs/dbraw/zinc/36/77/71/319367771.db2.gz FBLUWTQRUTYBPI-QMMMGPOBSA-N -2 1 339.866 2.959 20 0 EFADML CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000569367971 319374570 /nfs/dbraw/zinc/37/45/70/319374570.db2.gz VFRUNNHPTIUNGI-LLVKDONJSA-N -2 1 337.800 2.647 20 0 EFADML Cc1cc(C(=O)NCC(C)(C)C2=CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000576561292 320026803 /nfs/dbraw/zinc/02/68/03/320026803.db2.gz MXQBOGJWZYLDPX-UHFFFAOYSA-N -2 1 342.399 2.611 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(C)c1 ZINC000388188731 476775992 /nfs/dbraw/zinc/77/59/92/476775992.db2.gz MUGJXACNUNCTND-UHFFFAOYSA-N -2 1 341.410 2.873 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(C)c1 ZINC000067660014 472067552 /nfs/dbraw/zinc/06/75/52/472067552.db2.gz IVYYCACCPUVWEB-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(C(=O)[O-])c1 ZINC000068076809 472131148 /nfs/dbraw/zinc/13/11/48/472131148.db2.gz FFAHQGJHKVAFGD-UHFFFAOYSA-N -2 1 347.392 2.833 20 0 EFADML N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000057177942 472391326 /nfs/dbraw/zinc/39/13/26/472391326.db2.gz BPADMDAKMHMTNJ-UHFFFAOYSA-N -2 1 336.756 2.711 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1 ZINC000060800238 472678201 /nfs/dbraw/zinc/67/82/01/472678201.db2.gz LLVRDUCLFJYEJI-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1 ZINC000078365045 472704758 /nfs/dbraw/zinc/70/47/58/472704758.db2.gz ACNMWQJMYIDSED-UHFFFAOYSA-N -2 1 345.420 2.993 20 0 EFADML Cc1c([N-]S(=O)(=O)c2cc(F)cc(F)c2)cccc1C(=O)[O-] ZINC000065844451 473018174 /nfs/dbraw/zinc/01/81/74/473018174.db2.gz CGKICJRXJZWTOU-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CC(C)n1c(CNC(=O)c2ccc([O-])c(Cl)c2)n[n-]c1=S ZINC000066640728 473131117 /nfs/dbraw/zinc/13/11/17/473131117.db2.gz HFYYWYGUHCSAAY-UHFFFAOYSA-N -2 1 326.809 2.811 20 0 EFADML CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000266800645 474486918 /nfs/dbraw/zinc/48/69/18/474486918.db2.gz AQMOHFGLMFMNKM-MFKMUULPSA-N -2 1 344.415 2.785 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])cc1 ZINC000340810064 474684056 /nfs/dbraw/zinc/68/40/56/474684056.db2.gz PGCVUNJKSHLRDC-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000315963382 474876896 /nfs/dbraw/zinc/87/68/96/474876896.db2.gz DHUAVKNUHWFMFF-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000318199835 474890691 /nfs/dbraw/zinc/89/06/91/474890691.db2.gz NVWKDQHENQLCRR-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1F ZINC000319535229 474902089 /nfs/dbraw/zinc/90/20/89/474902089.db2.gz DEZJPGOFKNWOKI-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000320661494 474915899 /nfs/dbraw/zinc/91/58/99/474915899.db2.gz JZUOFPFRPVEMDX-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000321182407 474921799 /nfs/dbraw/zinc/92/17/99/474921799.db2.gz ZPSDOZLBUVJAOW-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1 ZINC000321353482 474925539 /nfs/dbraw/zinc/92/55/39/474925539.db2.gz AKOPUCCMSACRAG-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000321436903 474927777 /nfs/dbraw/zinc/92/77/77/474927777.db2.gz MFXCHKPUEWVARO-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000323603047 474951791 /nfs/dbraw/zinc/95/17/91/474951791.db2.gz IKDTUUSIVNBMCU-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000323822177 474955871 /nfs/dbraw/zinc/95/58/71/474955871.db2.gz OHHOUIDGOBDJNS-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1O ZINC000323980197 474958033 /nfs/dbraw/zinc/95/80/33/474958033.db2.gz DSJABGABPQMOJX-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000326428528 475005963 /nfs/dbraw/zinc/00/59/63/475005963.db2.gz SWQJIJQQRNAHCG-UHFFFAOYSA-N -2 1 347.392 2.535 20 0 EFADML CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000339209172 475041974 /nfs/dbraw/zinc/04/19/74/475041974.db2.gz XSMGJAVZTZAFIZ-LLVKDONJSA-N -2 1 335.381 2.893 20 0 EFADML Cc1cc(C(=O)NCC2(C)CCCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000345369473 475131348 /nfs/dbraw/zinc/13/13/48/475131348.db2.gz KGQIRLVXEPQDHK-UHFFFAOYSA-N -2 1 344.415 2.835 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000340076140 475740350 /nfs/dbraw/zinc/74/03/50/475740350.db2.gz ALHMZMSQOGJWHC-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)cc1 ZINC000358619177 475815033 /nfs/dbraw/zinc/81/50/33/475815033.db2.gz YXWUJJYXNBTXTC-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc12 ZINC000358636396 475826128 /nfs/dbraw/zinc/82/61/28/475826128.db2.gz VZXVZJXPCDFECE-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML Cc1cc(C(=O)NCC2CCC(C)(C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000340358528 475977167 /nfs/dbraw/zinc/97/71/67/475977167.db2.gz FYOZGTOQLFKWFV-UHFFFAOYSA-N -2 1 344.415 2.691 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1C(=O)[O-] ZINC000362124158 476016078 /nfs/dbraw/zinc/01/60/78/476016078.db2.gz JIVCOABAXABNFA-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(C(=O)[O-])c1 ZINC000336869578 476152416 /nfs/dbraw/zinc/15/24/16/476152416.db2.gz CXDOVAPRVDTAEH-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000336875670 476159101 /nfs/dbraw/zinc/15/91/01/476159101.db2.gz KBZPONVQJIQUOU-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML CCCOc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357018042 476159585 /nfs/dbraw/zinc/15/95/85/476159585.db2.gz KBWMVWPDZYDCKJ-UHFFFAOYSA-N -2 1 349.408 2.903 20 0 EFADML O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000353673222 476176341 /nfs/dbraw/zinc/17/63/41/476176341.db2.gz CBYWSGLOXKPAFF-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2n[nH]cc2cc1C ZINC000340672805 476195674 /nfs/dbraw/zinc/19/56/74/476195674.db2.gz HRIPDIFTICAMCG-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357167759 476273756 /nfs/dbraw/zinc/27/37/56/476273756.db2.gz IEYIXQLXABSGER-UHFFFAOYSA-N -2 1 347.392 2.707 20 0 EFADML COc1cc(C)cc(C(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)c1[O-] ZINC000447804766 477060937 /nfs/dbraw/zinc/06/09/37/477060937.db2.gz GDYMYDVWWFBYLN-UHFFFAOYSA-N -2 1 327.340 2.675 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000424242663 477339775 /nfs/dbraw/zinc/33/97/75/477339775.db2.gz FCHTYTHBSUZRRN-ZANVPECISA-N -2 1 341.791 2.770 20 0 EFADML CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000424390090 477387487 /nfs/dbraw/zinc/38/74/87/477387487.db2.gz JGDBRKGPSIGTDL-SECBINFHSA-N -2 1 337.800 2.504 20 0 EFADML Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000436174040 477434192 /nfs/dbraw/zinc/43/41/92/477434192.db2.gz ILUKCPAAZOWESB-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML CC(=O)c1ccc([O-])c(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000436994074 477660032 /nfs/dbraw/zinc/66/00/32/477660032.db2.gz AJJSYBPHSGMLJY-UHFFFAOYSA-N -2 1 349.346 2.801 20 0 EFADML CCC1(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CCCCC1 ZINC000456215693 477822747 /nfs/dbraw/zinc/82/27/47/477822747.db2.gz KCXUNSVMEVECSP-UHFFFAOYSA-N -2 1 330.388 2.587 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)c(C(=O)[O-])c1 ZINC000538094389 478345357 /nfs/dbraw/zinc/34/53/57/478345357.db2.gz UMCIDIGCEDINFH-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1C ZINC000539854618 478445443 /nfs/dbraw/zinc/44/54/43/478445443.db2.gz DUJGPIHJJUDUKG-UHFFFAOYSA-N -3 1 335.381 2.762 20 0 EFADML CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)CC(=O)[O-] ZINC000583796747 478942850 /nfs/dbraw/zinc/94/28/50/478942850.db2.gz SMDLVTTZQINEHF-MRVPVSSYSA-N -2 1 339.866 2.817 20 0 EFADML O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000572958573 478960507 /nfs/dbraw/zinc/96/05/07/478960507.db2.gz RKKNFAYTVMTENO-SCZZXKLOSA-N -2 1 337.850 2.713 20 0 EFADML C[C@]1([N-]S(=O)(=O)c2cc3ccccc3o2)CCCC[C@H]1C(=O)[O-] ZINC000574397395 479279225 /nfs/dbraw/zinc/27/92/25/479279225.db2.gz MUDFTHDJZBKAKC-LRDDRELGSA-N -2 1 337.397 2.745 20 0 EFADML CCOc1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc(Cl)c1[O-] ZINC000653319554 481224408 /nfs/dbraw/zinc/22/44/08/481224408.db2.gz SOQCWJIQOSGPIJ-LLVKDONJSA-N -2 1 341.791 2.914 20 0 EFADML CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000263047256 519211760 /nfs/dbraw/zinc/21/17/60/519211760.db2.gz AGHKHVWDDFSHLI-NSHDSACASA-N -2 1 343.376 2.597 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1F ZINC000180516598 524806716 /nfs/dbraw/zinc/80/67/16/524806716.db2.gz QDXZFOJYYYUKJF-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000229620315 526379191 /nfs/dbraw/zinc/37/91/91/526379191.db2.gz JMIKFUILAHYIHY-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1 ZINC000078677377 527602112 /nfs/dbraw/zinc/60/21/12/527602112.db2.gz RYHLXJROCQEVJT-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML CCOc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1C ZINC000340089651 535685029 /nfs/dbraw/zinc/68/50/29/535685029.db2.gz IDKOOAJZGPNSPU-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000434625189 536634740 /nfs/dbraw/zinc/63/47/40/536634740.db2.gz ITYCSPIRKCDKPR-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)ccc1C(=O)[O-] ZINC000323613945 545818655 /nfs/dbraw/zinc/81/86/55/545818655.db2.gz LQJCPWVARWWKGH-UHFFFAOYSA-N -2 1 337.401 2.515 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000323309789 545818949 /nfs/dbraw/zinc/81/89/49/545818949.db2.gz CRFZDXZMGIUXIQ-UHFFFAOYSA-N -2 1 337.401 2.515 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000350485574 546027027 /nfs/dbraw/zinc/02/70/27/546027027.db2.gz YKSWIALYPFQSBZ-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML CO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1[O-])C1CCCC1 ZINC000656626444 546868085 /nfs/dbraw/zinc/86/80/85/546868085.db2.gz PNCHCRNFKPTMJS-AWEZNQCLSA-N -2 1 333.837 2.993 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1O ZINC000680809581 549391217 /nfs/dbraw/zinc/39/12/17/549391217.db2.gz IOVCOTQAOSHVDD-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML Cc1cc(F)cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000770476509 577420584 /nfs/dbraw/zinc/42/05/84/577420584.db2.gz FYROVARMZYOWMI-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000325549064 597314552 /nfs/dbraw/zinc/31/45/52/597314552.db2.gz DBPZACNXMMNAIL-UHFFFAOYSA-N -2 1 342.376 2.663 20 0 EFADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000819626235 597315064 /nfs/dbraw/zinc/31/50/64/597315064.db2.gz KROWYLNNTMFAHW-UHFFFAOYSA-N -2 1 345.298 2.532 20 0 EFADML CSc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1 ZINC000818661224 597315414 /nfs/dbraw/zinc/31/54/14/597315414.db2.gz JPIPEKYBTFTQRI-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000819626464 597316579 /nfs/dbraw/zinc/31/65/79/597316579.db2.gz WTMWVGKWYLNLQZ-UHFFFAOYSA-N -2 1 342.376 2.663 20 0 EFADML O=C([O-])Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000740041014 599748016 /nfs/dbraw/zinc/74/80/16/599748016.db2.gz LJSXVYFRVDFIOQ-UHFFFAOYSA-N -2 1 334.353 2.608 20 0 EFADML O=C([O-])c1ccccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000740242739 599789466 /nfs/dbraw/zinc/78/94/66/599789466.db2.gz SVURNZICEUREPC-UHFFFAOYSA-N -2 1 340.287 2.554 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000322710861 599852928 /nfs/dbraw/zinc/85/29/28/599852928.db2.gz OHOOKANJVTYVHG-UHFFFAOYSA-N -2 1 335.381 2.513 20 0 EFADML COc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c([O-])c1 ZINC000737932377 599924112 /nfs/dbraw/zinc/92/41/12/599924112.db2.gz SGALZIMRYZSIND-UHFFFAOYSA-N -2 1 347.392 2.971 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1C(=O)[O-] ZINC000738744790 599927294 /nfs/dbraw/zinc/92/72/94/599927294.db2.gz NXWCCEIDSIRMIL-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C(=O)[O-])[nH]1 ZINC000322074296 600176092 /nfs/dbraw/zinc/17/60/92/600176092.db2.gz AWTJJEBLCRTCGJ-UHFFFAOYSA-N -2 1 334.397 2.701 20 0 EFADML O=C([O-])c1ccc(NC(=O)c2ccc(O)cc2[O-])c(OC(F)F)c1 ZINC000740157202 600211527 /nfs/dbraw/zinc/21/15/27/600211527.db2.gz USZNGVFJMKGUKJ-UHFFFAOYSA-N -2 1 339.250 2.650 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)c(F)cc1F ZINC000740089740 600229927 /nfs/dbraw/zinc/22/99/27/600229927.db2.gz JSHFDDTUPMWCJH-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML C[C@@]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)(C(=O)[O-])C1CC1 ZINC000036961632 600239409 /nfs/dbraw/zinc/23/94/09/600239409.db2.gz VYQSVLLGSOOXAU-JTQLQIEISA-N -2 1 344.241 2.587 20 0 EFADML Cn1ccc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc21 ZINC000739039567 600243889 /nfs/dbraw/zinc/24/38/89/600243889.db2.gz OCIFYAVKYVDVJU-UHFFFAOYSA-N -2 1 330.365 2.677 20 0 EFADML O=C([O-])Nc1cc(NC(=O)c2n[n-]c3ccccc3c2=O)ccc1F ZINC000740011356 600485562 /nfs/dbraw/zinc/48/55/62/600485562.db2.gz BIHFVIGOUDLIQS-UHFFFAOYSA-N -2 1 342.286 2.817 20 0 EFADML O=C([O-])C[C@@H]1CSCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000739651197 600665581 /nfs/dbraw/zinc/66/55/81/600665581.db2.gz PDZPKARRCBPABC-CYBMUJFWSA-N -2 1 331.393 2.578 20 0 EFADML CCC(CC)(NC(=O)c1cc(Br)ccc1[O-])C(=O)[O-] ZINC000232910210 600976226 /nfs/dbraw/zinc/97/62/26/600976226.db2.gz RHWQBIZIFFZQIO-UHFFFAOYSA-N -2 1 330.178 2.528 20 0 EFADML O=C([O-])c1ccnc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c1 ZINC000833335149 600983267 /nfs/dbraw/zinc/98/32/67/600983267.db2.gz ONDGFMCKWKJULB-VURMDHGXSA-N -2 1 338.772 2.846 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000825957689 601056783 /nfs/dbraw/zinc/05/67/83/601056783.db2.gz ZFUHSNICEHFDJD-UHFFFAOYSA-N -2 1 328.320 2.693 20 0 EFADML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000324494674 601157814 /nfs/dbraw/zinc/15/78/14/601157814.db2.gz MKNYMBNSQDLYTP-RMKNXTFCSA-N -2 1 342.376 2.765 20 0 EFADML O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000833233548 601559098 /nfs/dbraw/zinc/55/90/98/601559098.db2.gz AYUOYHGTEOETBG-UHFFFAOYSA-N -2 1 334.759 2.558 20 0 EFADML COc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c([O-])c1 ZINC000321510734 601741863 /nfs/dbraw/zinc/74/18/63/601741863.db2.gz OGLRKYPALYBTAR-UHFFFAOYSA-N -2 1 336.369 2.517 20 0 EFADML CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000826912933 601784352 /nfs/dbraw/zinc/78/43/52/601784352.db2.gz JZAZMZFDHJXLFA-UHFFFAOYSA-N -2 1 336.413 2.723 20 0 EFADML CC(C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])[nH]n1 ZINC000827112957 601850965 /nfs/dbraw/zinc/85/09/65/601850965.db2.gz RTQXPOVWHLCRST-UHFFFAOYSA-N -2 1 343.792 2.686 20 0 EFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832934782 601854621 /nfs/dbraw/zinc/85/46/21/601854621.db2.gz QMSOKVYHKMQQMX-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(C)c1O ZINC000832950736 601858246 /nfs/dbraw/zinc/85/82/46/601858246.db2.gz YQVCHDVELVKDCZ-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000833294565 601858572 /nfs/dbraw/zinc/85/85/72/601858572.db2.gz KIWBBSHPIRJSAA-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)ccc1O ZINC000318307264 601985495 /nfs/dbraw/zinc/98/54/95/601985495.db2.gz UBLSFTXQANQUNX-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)[nH]n1 ZINC000829216415 602102183 /nfs/dbraw/zinc/10/21/83/602102183.db2.gz MQYIDHHSDDXCTP-MRVPVSSYSA-N -2 1 343.430 2.874 20 0 EFADML COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC000832011417 602122728 /nfs/dbraw/zinc/12/27/28/602122728.db2.gz XUGOYXAFOJRUEC-UHFFFAOYSA-N -2 1 349.336 2.534 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)ccc1C(=O)[O-] ZINC000832903790 602308144 /nfs/dbraw/zinc/30/81/44/602308144.db2.gz VNQHFDFZCQPGKE-UHFFFAOYSA-N -2 1 349.412 2.875 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cs1 ZINC000833303963 602308521 /nfs/dbraw/zinc/30/85/21/602308521.db2.gz AXWFJWDPIVVMCK-UHFFFAOYSA-N -2 1 341.414 2.628 20 0 EFADML Cc1ccc(Cl)c([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000832934525 602322059 /nfs/dbraw/zinc/32/20/59/602322059.db2.gz GYHINWAORWEFIZ-UHFFFAOYSA-N -2 1 332.790 2.604 20 0 EFADML CCOc1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1OCC(=O)[O-] ZINC000830037369 604708184 /nfs/dbraw/zinc/70/81/84/604708184.db2.gz BKXXNCMGXKAGJL-UHFFFAOYSA-N -2 1 349.314 2.646 20 0 EFADML O=C([O-])c1cn(CC(=O)Nc2ccc(F)cc2[O-])c2ccccc12 ZINC000833120413 604708717 /nfs/dbraw/zinc/70/87/17/604708717.db2.gz WDTFJQBCZQGQRL-UHFFFAOYSA-N -2 1 328.299 2.823 20 0 EFADML CN(Cc1cc(=O)oc2cc([O-])ccc12)c1ccccc1C(=O)[O-] ZINC000833694561 605157440 /nfs/dbraw/zinc/15/74/40/605157440.db2.gz MOLDSMZIZUFNEE-UHFFFAOYSA-N -2 1 325.320 2.833 20 0 EFADML CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)cc1 ZINC000322610400 605162942 /nfs/dbraw/zinc/16/29/42/605162942.db2.gz OMNFKCAEMISXDD-UHFFFAOYSA-N -2 1 334.397 2.779 20 0 EFADML CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1c([O-])cccc1Cl ZINC000144397240 1266102876 /nfs/dbraw/zinc/10/28/76/1266102876.db2.gz ATRKSQJSKXCBCA-UHFFFAOYSA-N -2 1 349.799 2.616 20 0 EFADML CCc1n[n-]c(=S)n1CCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073997117 1267916814 /nfs/dbraw/zinc/91/68/14/1267916814.db2.gz XIUGBGJNYHXXAI-UHFFFAOYSA-N -2 1 349.441 2.737 20 0 EFADML O=C([O-])c1ccc(Nc2nc[n-]c(=O)c2Br)cc1F ZINC001175160515 1287331963 /nfs/dbraw/zinc/33/19/63/1287331963.db2.gz FSIPFDZJQLELDI-UHFFFAOYSA-N -2 1 328.097 2.526 20 0 EFADML C[C@H](CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC000844786869 1279252986 /nfs/dbraw/zinc/25/29/86/1279252986.db2.gz QNQCUJDNHMLSEA-ZCFIWIBFSA-N -2 1 344.191 2.522 20 0 EFADML CCO[N-]C(=O)C[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000845715102 1279793048 /nfs/dbraw/zinc/79/30/48/1279793048.db2.gz YTQGYCNDLLHKPC-UHFFFAOYSA-N -2 1 331.159 2.523 20 0 EFADML Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC001175321780 1287402093 /nfs/dbraw/zinc/40/20/93/1287402093.db2.gz ZABUHNXGPSMSAS-UHFFFAOYSA-N -2 1 344.751 2.560 20 0 EFADML COC(=O)[N-]C(=S)N(c1cccc(C(=O)[O-])c1)c1ccccc1N ZINC001175335876 1287407275 /nfs/dbraw/zinc/40/72/75/1287407275.db2.gz BAMZXBFXBVAIMC-UHFFFAOYSA-N -2 1 345.380 2.746 20 0 EFADML O=C([O-])c1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc(C(=O)[O-])c1 ZINC001176244358 1287912948 /nfs/dbraw/zinc/91/29/48/1287912948.db2.gz SJTCZGUBSWNNNK-UHFFFAOYSA-N -3 1 339.307 2.718 20 0 EFADML COc1ccc([C@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])C2CC2)cc1 ZINC001180176723 1289428936 /nfs/dbraw/zinc/42/89/36/1289428936.db2.gz MEFRQJTVPCLYQX-LLVKDONJSA-N -2 1 349.280 2.618 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3oncc3c2)cc1C(=O)[O-] ZINC001184697014 1290494930 /nfs/dbraw/zinc/49/49/30/1290494930.db2.gz MWASUEDLGVHCDH-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C ZINC001185905977 1290782309 /nfs/dbraw/zinc/78/23/09/1290782309.db2.gz IKCJWFZCIYOUFX-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193091130 1293179817 /nfs/dbraw/zinc/17/98/17/1293179817.db2.gz UMCWEIGMBDYVPD-UHFFFAOYSA-N -2 1 339.138 2.928 20 0 EFADML CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000882728932 1293300275 /nfs/dbraw/zinc/30/02/75/1293300275.db2.gz NDRKBXPTJMLWFV-NSHDSACASA-N -2 1 335.809 2.519 20 0 EFADML O=C(NC1(P(=O)([O-])[O-])Cc2ccccc2C1)OC1CCCCC1 ZINC001193640499 1293380306 /nfs/dbraw/zinc/38/03/06/1293380306.db2.gz KPGZVJVNLNGENR-UHFFFAOYSA-N -2 1 339.328 2.718 20 0 EFADML CCCCCCOC(=O)NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001194194622 1293552279 /nfs/dbraw/zinc/55/22/79/1293552279.db2.gz IEXAMPGXIOPQPT-UHFFFAOYSA-N -2 1 341.344 2.966 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ncc(Cl)cc1Cl ZINC001198739154 1295213450 /nfs/dbraw/zinc/21/34/50/1295213450.db2.gz LWAJKXCMVFVFLK-UHFFFAOYSA-N -2 1 347.179 2.887 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)[C@H](O)CCC2 ZINC001198783056 1295228259 /nfs/dbraw/zinc/22/82/59/1295228259.db2.gz SLUVMNKEJYRPOA-OAHLLOKOSA-N -2 1 347.392 2.555 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC001198772610 1295244142 /nfs/dbraw/zinc/24/41/42/1295244142.db2.gz MUOZDDBMQBWZTC-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1c(Cl)ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1F ZINC001236179712 1313452146 /nfs/dbraw/zinc/45/21/46/1313452146.db2.gz ZSZNNBKIUMQNDC-UHFFFAOYSA-N -2 1 333.702 2.657 20 0 EFADML Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(F)c1C ZINC001210008953 1314271271 /nfs/dbraw/zinc/27/12/71/1314271271.db2.gz YLBUWKGWURIIBD-UHFFFAOYSA-N -2 1 338.360 2.524 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3cnccc3c2)c1 ZINC001260182635 1316320667 /nfs/dbraw/zinc/32/06/67/1316320667.db2.gz KJEPCLGLPOFDFS-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)cc1 ZINC001260223477 1316324399 /nfs/dbraw/zinc/32/43/99/1316324399.db2.gz QALKLWYWYIVHAV-UHFFFAOYSA-N -2 1 332.381 2.848 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)nc2)ccc1O ZINC001260393991 1316337089 /nfs/dbraw/zinc/33/70/89/1316337089.db2.gz LFLZLXBOLKDFEJ-UHFFFAOYSA-N -2 1 348.380 2.554 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(F)F)ccc1O ZINC001260398645 1316337577 /nfs/dbraw/zinc/33/75/77/1316337577.db2.gz QYEIHPJMAFOEOF-UHFFFAOYSA-N -2 1 343.307 2.829 20 0 EFADML CC(C)(C)[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1nc(=O)o[n-]1 ZINC001469342237 1397025591 /nfs/dbraw/zinc/02/55/91/1397025591.db2.gz KWEGFZNHLLZLCR-CQSZACIVSA-N -2 1 341.367 2.739 20 0 EFADML O=C([O-])[C@H]1C[C@H]2[C@H](NC(=O)c3ccc(C(F)(F)F)cc3[O-])C[C@@H]2C1 ZINC001551452280 1414078322 /nfs/dbraw/zinc/07/83/22/1414078322.db2.gz ZGVWSDCXPAGSDL-JTRYMVSWSA-N -2 1 343.301 2.640 20 0 EFADML O=C([O-])CC1(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000299368856 1423419846 /nfs/dbraw/zinc/41/98/46/1423419846.db2.gz ZBAQRURFDCYTAT-UHFFFAOYSA-N -2 1 343.387 2.621 20 0 EFADML Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000152779161 1423718034 /nfs/dbraw/zinc/71/80/34/1423718034.db2.gz DOYSVQHIBUJWSW-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000152779161 1423718036 /nfs/dbraw/zinc/71/80/36/1423718036.db2.gz DOYSVQHIBUJWSW-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1cc(C)cc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826264711 1424997868 /nfs/dbraw/zinc/99/78/68/1424997868.db2.gz XPOIQPBPTFKNLH-UHFFFAOYSA-N -2 1 343.412 2.593 20 0 EFADML CCc1ccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000821476267 1425121004 /nfs/dbraw/zinc/12/10/04/1425121004.db2.gz KQRDVFJUFSPSEJ-NSHDSACASA-N -2 1 337.383 2.877 20 0 EFADML Cc1ccc(C=CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000826285735 1425661793 /nfs/dbraw/zinc/66/17/93/1425661793.db2.gz IHXTYIPVELAMPH-IHWYPQMZSA-N -2 1 335.367 2.923 20 0 EFADML C[C@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820386121 1427563292 /nfs/dbraw/zinc/56/32/92/1427563292.db2.gz VWDSYHAANWTZJJ-VIFPVBQESA-N -2 1 343.774 2.717 20 0 EFADML C[C@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820386121 1427563295 /nfs/dbraw/zinc/56/32/95/1427563295.db2.gz VWDSYHAANWTZJJ-VIFPVBQESA-N -2 1 343.774 2.717 20 0 EFADML CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823942522 1430215113 /nfs/dbraw/zinc/21/51/13/1430215113.db2.gz FDVGFEKLMOCDNK-CSKARUKUSA-N -2 1 339.330 2.753 20 0 EFADML O=C(C[C@@H]1CCc2ccccc21)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822945659 1441936511 /nfs/dbraw/zinc/93/65/11/1441936511.db2.gz MYGXUHRTQFUYJI-LBPRGKRZSA-N -2 1 335.367 2.631 20 0 EFADML O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccc(O)cc2c1[O-] ZINC001142791262 1446115516 /nfs/dbraw/zinc/11/55/16/1446115516.db2.gz PMAANORCZRSFPH-UHFFFAOYSA-N -2 1 347.334 2.683 20 0 EFADML O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccc(O)cc2c1[O-] ZINC001142791262 1446115519 /nfs/dbraw/zinc/11/55/19/1446115519.db2.gz PMAANORCZRSFPH-UHFFFAOYSA-N -2 1 347.334 2.683 20 0 EFADML O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(Cl)c1[O-] ZINC000826402327 1447094062 /nfs/dbraw/zinc/09/40/62/1447094062.db2.gz RAXVOFHALWYZRK-HJWRWDBZSA-N -2 1 341.758 2.878 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1F ZINC000180017371 718796413 /nfs/dbraw/zinc/79/64/13/718796413.db2.gz SOUHEEBKZOJHCQ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000909494898 723525672 /nfs/dbraw/zinc/52/56/72/723525672.db2.gz GYWPQRYGLLVBSS-CYBMUJFWSA-N -2 1 342.395 2.903 20 0 EFADML COc1cc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc(Cl)c1[O-] ZINC000908031243 727081912 /nfs/dbraw/zinc/08/19/12/727081912.db2.gz SBNGTBPARZIRSF-NSHDSACASA-N -2 1 329.780 2.673 20 0 EFADML CCC[C@@](C)(NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC000908872073 727274586 /nfs/dbraw/zinc/27/45/86/727274586.db2.gz NDDAMJGYWIUNBJ-OAHLLOKOSA-N -2 1 329.780 2.818 20 0 EFADML COc1cc(C(=O)N(CCC(=O)[O-])CC(C)C)cc(Cl)c1[O-] ZINC000908860576 727277033 /nfs/dbraw/zinc/27/70/33/727277033.db2.gz IMNGTXJIOZKWHS-UHFFFAOYSA-N -2 1 329.780 2.627 20 0 EFADML CCOc1cc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000909781652 727377027 /nfs/dbraw/zinc/37/70/27/727377027.db2.gz PLALXMQICSGSJA-CABZTGNLSA-N -2 1 341.791 2.770 20 0 EFADML CCOc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000909781653 727377037 /nfs/dbraw/zinc/37/70/37/727377037.db2.gz PLALXMQICSGSJA-JOYOIKCWSA-N -2 1 341.791 2.770 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1C1CC1 ZINC000909903177 727394780 /nfs/dbraw/zinc/39/47/80/727394780.db2.gz FYEAXIGTJLZKJJ-NWDGAFQWSA-N -2 1 343.301 2.594 20 0 EFADML COc1cc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc(Cl)c1[O-] ZINC000909949457 727397878 /nfs/dbraw/zinc/39/78/78/727397878.db2.gz AWOBVTCIWJROSP-QLKSEXHHSA-N -2 1 341.791 2.818 20 0 EFADML O=C([O-])C1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCCCC1 ZINC001601723496 971046831 /nfs/dbraw/zinc/04/68/31/971046831.db2.gz AUAAAWKPOQLJOF-UHFFFAOYSA-N -2 1 337.344 2.673 20 0 EFADML O=C([O-])CC[C@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001601975547 971096027 /nfs/dbraw/zinc/09/60/27/971096027.db2.gz PDZNIMQCEGOCSX-LLVKDONJSA-N -2 1 325.792 2.692 20 0 EFADML CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]n1 ZINC000325633758 971232687 /nfs/dbraw/zinc/23/26/87/971232687.db2.gz XJUFSZUYMBEXOA-RMKNXTFCSA-N -2 1 349.412 2.606 20 0 EFADML COCc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000326562567 971303887 /nfs/dbraw/zinc/30/38/87/971303887.db2.gz ZKTBPUFOWDLYBS-WDZFZDKYSA-N -2 1 347.392 2.732 20 0 EFADML O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)o1 ZINC001595295549 950124882 /nfs/dbraw/zinc/12/48/82/950124882.db2.gz SFKBQWXVBHTBNH-CQSZACIVSA-N -2 1 343.335 2.544 20 0 EFADML O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)o1 ZINC001595295548 950125488 /nfs/dbraw/zinc/12/54/88/950125488.db2.gz SFKBQWXVBHTBNH-AWEZNQCLSA-N -2 1 343.335 2.544 20 0 EFADML CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc([O-])c1Br ZINC001602853737 971701515 /nfs/dbraw/zinc/70/15/15/971701515.db2.gz YKVSOCYLOAFINS-SECBINFHSA-N -2 1 330.178 2.840 20 0 EFADML O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000383709728 971888337 /nfs/dbraw/zinc/88/83/37/971888337.db2.gz IJGXAIQLMSSVDU-UHFFFAOYSA-N -2 1 339.394 2.572 20 0 EFADML C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001589274443 953449225 /nfs/dbraw/zinc/44/92/25/953449225.db2.gz FOIKRRCVPKDUOC-BDAKNGLRSA-N -2 1 331.290 2.594 20 0 EFADML C[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC[C@H]1C(=O)[O-] ZINC001589383875 954299270 /nfs/dbraw/zinc/29/92/70/954299270.db2.gz PCVZIYRVHOYOOG-MWLCHTKSSA-N -2 1 348.786 2.777 20 0 EFADML C[C@@](CNC(=O)c1ccc(Cl)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001589062527 955724827 /nfs/dbraw/zinc/72/48/27/955724827.db2.gz BMDRAOVXFRJHSC-KRWDZBQOSA-N -2 1 333.771 2.818 20 0 EFADML O=C(C=Cc1ccc(C(=O)[O-])o1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001594674630 956647863 /nfs/dbraw/zinc/64/78/63/956647863.db2.gz QUBYHTYVEDAEDQ-SOFGYWHQSA-N -2 1 339.307 2.521 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])cc(Cl)c1[O-] ZINC000902109514 956654573 /nfs/dbraw/zinc/65/45/73/956654573.db2.gz BVSMONSIMGDREX-OAHLLOKOSA-N -2 1 327.764 2.524 20 0 EFADML O=C([O-])C1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCCCC1 ZINC001594721391 956970295 /nfs/dbraw/zinc/97/02/95/956970295.db2.gz QAEJBBIZUPNKRN-UHFFFAOYSA-N -2 1 331.290 2.928 20 0 EFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000391129315 972318862 /nfs/dbraw/zinc/31/88/62/972318862.db2.gz BNOFXOVUQDQGNW-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Br)c([O-])c1 ZINC001573389833 958688314 /nfs/dbraw/zinc/68/83/14/958688314.db2.gz HJSVECYKHCCCJJ-SNVBAGLBSA-N -2 1 330.178 2.840 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC000144034002 958984629 /nfs/dbraw/zinc/98/46/29/958984629.db2.gz DKCKFCDHRVGVMK-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML C[C@H](NC(=O)c1ncc2ccccc2c1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573626167 959542307 /nfs/dbraw/zinc/54/23/07/959542307.db2.gz YFPYGIUCSDHNOK-LEWSCRJBSA-N -2 1 342.395 2.806 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1C(=O)[O-] ZINC001184667831 960515952 /nfs/dbraw/zinc/51/59/52/960515952.db2.gz MKRVFSZEANGUNV-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML O=C([O-])c1ccccc1CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001605800259 972511345 /nfs/dbraw/zinc/51/13/45/972511345.db2.gz FVNDCACFHUBZEC-UHFFFAOYSA-N -2 1 334.759 2.743 20 0 EFADML CC(C)C[C@@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(=O)[O-] ZINC001588886407 962176393 /nfs/dbraw/zinc/17/63/93/962176393.db2.gz OEOOZEYQCVJJKA-CQSZACIVSA-N -2 1 345.351 2.694 20 0 EFADML CC[C@](CNC(=O)c1cc(F)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001571195347 962298008 /nfs/dbraw/zinc/29/80/08/962298008.db2.gz AQOGPRSKSLSFFB-GOSISDBHSA-N -2 1 331.343 2.694 20 0 EFADML O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1[O-] ZINC001571216317 962504018 /nfs/dbraw/zinc/50/40/18/962504018.db2.gz NTKYAVZTPZSMAN-ZDUSSCGKSA-N -2 1 333.771 2.861 20 0 EFADML CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)C1CCCC1 ZINC001571228722 962607953 /nfs/dbraw/zinc/60/79/53/962607953.db2.gz GTZXBNYQVCIPOV-SNVBAGLBSA-N -2 1 335.809 2.878 20 0 EFADML O=C([O-])c1cccc(CNC(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC001571228947 962612075 /nfs/dbraw/zinc/61/20/75/962612075.db2.gz MYJVPFOQGGEEMM-UHFFFAOYSA-N -2 1 334.759 2.743 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CCCCC2)oc1Cl ZINC001571229093 962614274 /nfs/dbraw/zinc/61/42/74/962614274.db2.gz UCFBUBRRHOSYGK-UHFFFAOYSA-N -2 1 335.809 2.880 20 0 EFADML O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000314187217 963723152 /nfs/dbraw/zinc/72/31/52/963723152.db2.gz NJBYZOKGMQBTRJ-UHFFFAOYSA-N -2 1 349.336 2.849 20 0 EFADML O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000314963150 963835410 /nfs/dbraw/zinc/83/54/10/963835410.db2.gz ARONOFVTQNVAQW-LBPRGKRZSA-N -2 1 337.681 2.525 20 0 EFADML COc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC000325465691 968038677 /nfs/dbraw/zinc/03/86/77/968038677.db2.gz BRBAMFOTQJYLQN-CYBMUJFWSA-N -2 1 327.336 2.620 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000823825938 969205105 /nfs/dbraw/zinc/20/51/05/969205105.db2.gz YJZGUTDJBOVWDJ-NSHDSACASA-N -2 1 337.420 2.623 20 0 EFADML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC000318055601 970407127 /nfs/dbraw/zinc/40/71/27/970407127.db2.gz KUAGTGARCQVQGH-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML Cc1cccc([C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C(=O)[O-])c1 ZINC001605327695 973171559 /nfs/dbraw/zinc/17/15/59/973171559.db2.gz FYPMWURAIBRGHZ-INIZCTEOSA-N -2 1 333.771 2.839 20 0 EFADML CC[C@@H](C)C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC000400361368 973266593 /nfs/dbraw/zinc/26/65/93/973266593.db2.gz AODDHOKHTZKUEI-KCJUWKMLSA-N -2 1 344.205 2.774 20 0 EFADML CC[C@H](C)C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC000400361369 973266774 /nfs/dbraw/zinc/26/67/74/973266774.db2.gz AODDHOKHTZKUEI-KWQFWETISA-N -2 1 344.205 2.774 20 0 EFADML O=C([O-])c1ccc(C(=O)Nc2ccc(Br)c([O-])c2)nc1 ZINC001606478589 973957310 /nfs/dbraw/zinc/95/73/10/973957310.db2.gz ISJDMMOICANVFN-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001592477300 978241730 /nfs/dbraw/zinc/24/17/30/978241730.db2.gz KACHEDVAXRXCLK-QMMMGPOBSA-N -2 1 333.356 2.520 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)ccc1F ZINC000743261389 978677708 /nfs/dbraw/zinc/67/77/08/978677708.db2.gz DHUOXLUOILALHZ-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000793349920 978802918 /nfs/dbraw/zinc/80/29/18/978802918.db2.gz YNWBCHMCGQQYFU-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000841774267 979309281 /nfs/dbraw/zinc/30/92/81/979309281.db2.gz FMUBHOLDHMJIGN-UHFFFAOYSA-N -2 1 337.800 2.793 20 0 EFADML CC[C@@H](OC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])C(=O)[O-] ZINC001595354295 980690262 /nfs/dbraw/zinc/69/02/62/980690262.db2.gz RNGOYTPRJTTYRZ-CQSZACIVSA-N -2 1 332.356 2.721 20 0 EFADML CCCCOc1ccccc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001595781070 982559263 /nfs/dbraw/zinc/55/92/63/982559263.db2.gz PWBIEOQKWLSQHI-UHFFFAOYSA-N -2 1 329.418 2.718 20 0 EFADML C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001588661678 983787249 /nfs/dbraw/zinc/78/72/49/983787249.db2.gz NTZPGVKXZOLJFX-UHFFFAOYSA-N -2 1 340.335 2.776 20 0 EFADML CCOc1cc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc(Cl)c1[O-] ZINC001597005992 986334483 /nfs/dbraw/zinc/33/44/83/986334483.db2.gz XHSNIUMLUHGYJM-JOYOIKCWSA-N -2 1 341.791 2.818 20 0 EFADML C[C@@H](C(=O)[O-])N(C(=O)c1cc(Br)ccc1[O-])C1CCC1 ZINC001589476727 986977815 /nfs/dbraw/zinc/97/78/15/986977815.db2.gz FWUDNSPOIQTRIK-QMMMGPOBSA-N -2 1 342.189 2.623 20 0 EFADML C[C@H](C(=O)[O-])c1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC001589521279 987165435 /nfs/dbraw/zinc/16/54/35/987165435.db2.gz MTJWFYDLGWTGMO-JTQLQIEISA-N -2 1 337.335 2.776 20 0 EFADML CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ncc(C)cc2[O-])cc1 ZINC001599812164 988356295 /nfs/dbraw/zinc/35/62/95/988356295.db2.gz RASYCLJXJULPFE-CYBMUJFWSA-N -2 1 346.408 2.763 20 0 EFADML CCc1ccccc1-n1cc([O-])c(C(=O)OCC2(CC(=O)[O-])CC2)n1 ZINC001597604297 988481195 /nfs/dbraw/zinc/48/11/95/988481195.db2.gz LBAPROFNYLMVMG-UHFFFAOYSA-N -2 1 344.367 2.552 20 0 EFADML CN(C(=O)Cc1ccc([O-])c(Cl)c1)C1(C(=O)[O-])CCCCC1 ZINC001598036508 990263812 /nfs/dbraw/zinc/26/38/12/990263812.db2.gz KGDRQUSRMYNDPO-UHFFFAOYSA-N -2 1 325.792 2.834 20 0 EFADML CN(C(=O)c1ncc2ccccc2c1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC001598104142 990480840 /nfs/dbraw/zinc/48/08/40/990480840.db2.gz GXLDIBORVMUAGX-MRXNPFEDSA-N -2 1 336.347 2.838 20 0 EFADML CC(C)C[C@@H](CNC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)[O-] ZINC001591153889 991899899 /nfs/dbraw/zinc/89/98/99/991899899.db2.gz ZNUOCQZYWRLQKP-JTQLQIEISA-N -2 1 334.347 2.556 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1 ZINC001599597936 993773220 /nfs/dbraw/zinc/77/32/20/993773220.db2.gz IZUQCNNSOILGTJ-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])c(C)c1 ZINC001599616723 994024931 /nfs/dbraw/zinc/02/49/31/994024931.db2.gz MVCRECZAKYOAOE-UHFFFAOYSA-N -2 1 341.410 2.873 20 0 EFADML CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001593905315 996786006 /nfs/dbraw/zinc/78/60/06/996786006.db2.gz QNLKNPJSBMQRIQ-LLVKDONJSA-N -2 1 333.356 2.520 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC001599295288 997129493 /nfs/dbraw/zinc/12/94/93/997129493.db2.gz TUKKMQJQOHTJGC-GFCCVEGCSA-N -2 1 349.408 2.822 20 0 EFADML COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001599504598 997190007 /nfs/dbraw/zinc/19/00/07/997190007.db2.gz RDHRRUPMSVBAHP-UHFFFAOYSA-N -2 1 343.445 2.845 20 0 EFADML C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001594158089 998582475 /nfs/dbraw/zinc/58/24/75/998582475.db2.gz ZKIGPQWTKGNTCM-WPRPVWTQSA-N -2 1 334.759 2.529 20 0 EFADML O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001594789155 1094438286 /nfs/dbraw/zinc/43/82/86/1094438286.db2.gz XXSGZZVAUFTLTE-SKDRFNHKSA-N -2 1 334.759 2.577 20 0 EFADML O=C([O-])c1ccc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)nc1 ZINC001595236741 1094457425 /nfs/dbraw/zinc/45/74/25/1094457425.db2.gz FKLKCZWBOGVOLY-UHFFFAOYSA-N -2 1 343.726 2.939 20 0 EFADML C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@H]1CC(=O)[O-] ZINC001599863135 1094700002 /nfs/dbraw/zinc/70/00/02/1094700002.db2.gz QCHHCAVTYNRQKT-PSASIEDQSA-N -2 1 331.290 2.594 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cncc2c1CCCC2 ZINC001600125343 1094786372 /nfs/dbraw/zinc/78/63/72/1094786372.db2.gz MTEZGHYPTRQQDE-UHFFFAOYSA-N -2 1 346.408 2.768 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)NC2(CCC(=O)[O-])CCCCC2)c1 ZINC001600186590 1094851747 /nfs/dbraw/zinc/85/17/47/1094851747.db2.gz ZZFOZGZIDMBBDZ-UHFFFAOYSA-N -2 1 333.384 2.811 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001600186268 1094852233 /nfs/dbraw/zinc/85/22/33/1094852233.db2.gz QEEJRFXGIQTZQS-OAHLLOKOSA-N -2 1 345.326 2.598 20 0 EFADML Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001600218260 1094893920 /nfs/dbraw/zinc/89/39/20/1094893920.db2.gz HJOJXIYORWSBRG-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@]2(C)CCCC[C@H]2C(=O)[O-])c(F)c1 ZINC001600228013 1094901901 /nfs/dbraw/zinc/90/19/01/1094901901.db2.gz AVQRWCLISKRCMZ-BONVTDFDSA-N -2 1 347.383 2.585 20 0 EFADML Cc1cc(NC(=O)Cc2ccc([O-])c(Cl)c2)nc(C)c1C(=O)[O-] ZINC001600258511 1094919366 /nfs/dbraw/zinc/91/93/66/1094919366.db2.gz VZKMOTMTQKGLII-UHFFFAOYSA-N -2 1 334.759 2.937 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc2n[nH]cc21 ZINC001600284161 1094944500 /nfs/dbraw/zinc/94/45/00/1094944500.db2.gz SLEBPXNVCYNDGR-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)[nH]nc1C(C)C ZINC001600301663 1094954812 /nfs/dbraw/zinc/95/48/12/1094954812.db2.gz OWFKPYOOSKWCBW-UHFFFAOYSA-N -2 1 337.401 2.649 20 0 EFADML Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001600307300 1094958813 /nfs/dbraw/zinc/95/88/13/1094958813.db2.gz QVJUJHOAPMJXOE-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(O)ccc2C(=O)[O-])cc1Cl ZINC001600482734 1095098952 /nfs/dbraw/zinc/09/89/52/1095098952.db2.gz GCRRJXASNYNCSX-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)[nH]c2c1 ZINC001600488732 1095103768 /nfs/dbraw/zinc/10/37/68/1095103768.db2.gz LFHKCOSHHUPUKB-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)[nH]c2c1 ZINC001600489497 1095105108 /nfs/dbraw/zinc/10/51/08/1095105108.db2.gz YJMZHCLXUDETMW-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC001600551403 1095156198 /nfs/dbraw/zinc/15/61/98/1095156198.db2.gz ZUMOIHUOPANTMC-JKSUJKDBSA-N -2 1 331.393 2.984 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001600687988 1095261082 /nfs/dbraw/zinc/26/10/82/1095261082.db2.gz MTFRQXMFVITYSZ-CYBMUJFWSA-N -2 1 349.431 2.625 20 0 EFADML Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])ccc2[nH]1 ZINC001600726632 1095291151 /nfs/dbraw/zinc/29/11/51/1095291151.db2.gz QRISUJIHAPPWJV-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1oc(C(C)C)nc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC001600835982 1095367992 /nfs/dbraw/zinc/36/79/92/1095367992.db2.gz VIOOZSUTDRMZPT-UHFFFAOYSA-N -2 1 338.389 2.618 20 0 EFADML O=C([O-])c1ccc(CCC(=O)NCc2ccc([O-])c(Cl)c2)cc1 ZINC001601287276 1095599316 /nfs/dbraw/zinc/59/93/16/1095599316.db2.gz JBSUABRNKAGSSF-UHFFFAOYSA-N -2 1 333.771 2.993 20 0 EFADML O=C([O-])[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC001601360445 1095635403 /nfs/dbraw/zinc/63/54/03/1095635403.db2.gz ARYSUTWOPLVRSO-HNNXBMFYSA-N -2 1 325.792 2.738 20 0 EFADML O=C([O-])[C@@H](CNC(=O)c1ncc2ccccc2c1[O-])CC1CCCC1 ZINC001601460520 1095687242 /nfs/dbraw/zinc/68/72/42/1095687242.db2.gz ICKZKJBDHSBBCC-CQSZACIVSA-N -2 1 342.395 2.951 20 0 EFADML O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(Cl)ccc1[O-] ZINC001601567371 1095735089 /nfs/dbraw/zinc/73/50/89/1095735089.db2.gz DTJFSUBZOHHDFA-CYBMUJFWSA-N -2 1 337.734 2.610 20 0 EFADML O=C([O-])[C@]1(C(=O)Nc2cc(F)cc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001601705133 1095848774 /nfs/dbraw/zinc/84/87/74/1095848774.db2.gz ZILHFDPPRSWQKW-APPDUMDISA-N -2 1 333.290 2.867 20 0 EFADML O=C([O-])CCC1([N-]S(=O)(=O)c2cccc(F)c2F)CCCCC1 ZINC001601975258 1096000340 /nfs/dbraw/zinc/00/03/40/1096000340.db2.gz ZGZRIJSZGNOFIC-UHFFFAOYSA-N -2 1 347.383 2.811 20 0 EFADML O=C([O-])CCCCCCNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001601984565 1096007150 /nfs/dbraw/zinc/00/71/50/1096007150.db2.gz QGAPFTNKPDONGA-UHFFFAOYSA-N -2 1 346.387 2.735 20 0 EFADML O=C([O-])CCc1ccc(O)c(NC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001602042694 1096033396 /nfs/dbraw/zinc/03/33/96/1096033396.db2.gz IAOKQARWRSSULD-UHFFFAOYSA-N -2 1 349.770 2.950 20 0 EFADML O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(F)c([O-])c1 ZINC001602059283 1096045876 /nfs/dbraw/zinc/04/58/76/1096045876.db2.gz IQOAYRUVMOJFLC-UHFFFAOYSA-N -2 1 337.734 2.912 20 0 EFADML O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1F ZINC001602059564 1096047880 /nfs/dbraw/zinc/04/78/80/1096047880.db2.gz XPTMNFTXNFZUCN-UHFFFAOYSA-N -2 1 337.734 2.912 20 0 EFADML O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccsc2)cc1Cl ZINC001602091189 1096057281 /nfs/dbraw/zinc/05/72/81/1096057281.db2.gz OLSTYURMACYICC-UHFFFAOYSA-N -2 1 347.801 2.666 20 0 EFADML O=C([O-])C[C@@H](NC(=O)c1ccc([O-])cn1)c1cccc2ccccc21 ZINC001602105140 1096065257 /nfs/dbraw/zinc/06/52/57/1096065257.db2.gz RBMILXSFMGAFKJ-QGZVFWFLSA-N -2 1 336.347 2.886 20 0 EFADML O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001602111326 1096070351 /nfs/dbraw/zinc/07/03/51/1096070351.db2.gz GXONUNBUPLWPFY-KOLCDFICSA-N -2 1 348.786 2.967 20 0 EFADML O=C([O-])Cc1cccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])n1 ZINC001602140609 1096087457 /nfs/dbraw/zinc/08/74/57/1096087457.db2.gz VJIOVTDTXWELKV-UHFFFAOYSA-N -2 1 338.319 2.525 20 0 EFADML O=C([O-])Cc1csc(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC001602153535 1096095362 /nfs/dbraw/zinc/09/53/62/1096095362.db2.gz XXQVAPNTBTZQMI-UHFFFAOYSA-N -2 1 328.349 2.881 20 0 EFADML O=C([O-])[C@@H](F)C[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC001602169827 1096101065 /nfs/dbraw/zinc/10/10/65/1096101065.db2.gz ROIQPJXOEXAKHH-ZETCQYMHSA-N -2 1 330.089 2.624 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H]1c1ccccc1 ZINC001602186596 1096107316 /nfs/dbraw/zinc/10/73/16/1096107316.db2.gz UNUALAPKRZTFNH-HUUCEWRRSA-N -2 1 345.782 2.986 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CCCC2CCCC2)c1F ZINC001602273458 1096153789 /nfs/dbraw/zinc/15/37/89/1096153789.db2.gz MJJXIUWVDLULIF-UHFFFAOYSA-N -2 1 347.383 2.912 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)oc1Cl ZINC001602294608 1096163266 /nfs/dbraw/zinc/16/32/66/1096163266.db2.gz ZPTXAIVKPDUZEV-UHFFFAOYSA-N -2 1 333.793 2.632 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)oc1Cl ZINC001602295180 1096164421 /nfs/dbraw/zinc/16/44/21/1096164421.db2.gz ZZTFBAKZZDZISO-VIFPVBQESA-N -2 1 333.793 2.632 20 0 EFADML O=C([O-])c1ccc(CSCCC[N-]C(=O)C(F)(F)F)c(F)c1 ZINC001602355506 1096201119 /nfs/dbraw/zinc/20/11/19/1096201119.db2.gz IPLSVVHLIQIDSC-UHFFFAOYSA-N -2 1 339.310 2.826 20 0 EFADML O=C([O-])c1ccc2c(c1)N(C(=O)Cc1ccc([O-])c(Cl)c1)CC2 ZINC001602423484 1096236463 /nfs/dbraw/zinc/23/64/63/1096236463.db2.gz VTENHUXYENNIGP-UHFFFAOYSA-N -2 1 331.755 2.876 20 0 EFADML O=C([O-])c1ccc2nc(SCC(=O)c3ccc([O-])cc3O)oc2c1 ZINC001602429308 1096241461 /nfs/dbraw/zinc/24/14/61/1096241461.db2.gz VVDSLBPTAVTECY-UHFFFAOYSA-N -2 1 345.332 2.912 20 0 EFADML O=C([O-])c1cccc(OCCSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC001602450433 1096250578 /nfs/dbraw/zinc/25/05/78/1096250578.db2.gz MHRVITLYADHNIX-UHFFFAOYSA-N -2 1 342.323 2.989 20 0 EFADML O=C([O-])c1coc(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)c1 ZINC001602554661 1096295187 /nfs/dbraw/zinc/29/51/87/1096295187.db2.gz OEAJVEWAVKLARY-UHFFFAOYSA-N -2 1 346.726 2.815 20 0 EFADML O=C([O-])[C@H](OC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccsc1 ZINC001602605433 1096319465 /nfs/dbraw/zinc/31/94/65/1096319465.db2.gz NLTWHPNLQMZKDW-CQSZACIVSA-N -2 1 344.348 2.622 20 0 EFADML C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc([O-])cc1F)C(=O)[O-] ZINC001604161933 1096759219 /nfs/dbraw/zinc/75/92/19/1096759219.db2.gz URWZRQMOZSQLKG-LBPRGKRZSA-N -2 1 331.343 2.894 20 0 EFADML C[C@@]1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC001604590089 1096910199 /nfs/dbraw/zinc/91/01/99/1096910199.db2.gz NTPNRKOKLWQYED-BDJLRTHQSA-N -2 1 325.792 2.738 20 0 EFADML C[C@]1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCC[C@@H]1C(=O)[O-] ZINC001604597100 1096911310 /nfs/dbraw/zinc/91/13/10/1096911310.db2.gz YTYVEZIHKZQBDX-OQPBUACISA-N -2 1 337.344 2.529 20 0 EFADML C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001604715160 1096939160 /nfs/dbraw/zinc/93/91/60/1096939160.db2.gz HPZSENLIUCMGTQ-RKDXNWHRSA-N -2 1 335.809 2.736 20 0 EFADML C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604724493 1096940930 /nfs/dbraw/zinc/94/09/30/1096940930.db2.gz IWXMOMXEJIRQEU-UWVGGRQHSA-N -2 1 347.383 2.768 20 0 EFADML CC[C@@](NC(=O)c1ccc([O-])cn1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001605086462 1097019207 /nfs/dbraw/zinc/01/92/07/1097019207.db2.gz WJXDDKAIKWZNFL-INIZCTEOSA-N -2 1 334.759 2.561 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2cc(C)c(C(=O)[O-])o2)[n-]c1=O ZINC001605580212 1097162206 /nfs/dbraw/zinc/16/22/06/1097162206.db2.gz ROXCWELKNJSJDW-TWGQIWQCSA-N -2 1 332.312 2.519 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3c(c2)CCO3)Cc2ccccc2C1 ZINC001167933889 1097333433 /nfs/dbraw/zinc/33/34/33/1097333433.db2.gz DKDPMJYCKGJXJB-UHFFFAOYSA-N -2 1 331.308 2.706 20 0 EFADML CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc([O-])c(F)c1F ZINC001606163015 1097333510 /nfs/dbraw/zinc/33/35/10/1097333510.db2.gz NYFBKISISQGRBD-UHFFFAOYSA-N -2 1 337.322 2.766 20 0 EFADML O=P([O-])([O-])C1(Nc2cccc3c2OCC3)Cc2ccccc2C1 ZINC001167937060 1097359909 /nfs/dbraw/zinc/35/99/09/1097359909.db2.gz QFMDJBBDQRFSKG-UHFFFAOYSA-N -2 1 331.308 2.706 20 0 EFADML COc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc(Cl)c1[O-] ZINC001607068124 1097504274 /nfs/dbraw/zinc/50/42/74/1097504274.db2.gz UGRWRYVVENDDCJ-MRVPVSSYSA-N -2 1 327.764 2.522 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])sc2C)cc1C ZINC001607289742 1097584366 /nfs/dbraw/zinc/58/43/66/1097584366.db2.gz QIAGNNDWTDVLRJ-UHFFFAOYSA-N -2 1 341.410 2.873 20 0 EFADML CSc1ccc([O-])c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC001607409779 1097622545 /nfs/dbraw/zinc/62/25/45/1097622545.db2.gz IHARUUIRVLEWBU-UHFFFAOYSA-N -2 1 333.365 2.830 20 0 EFADML Cc1cc(C)cc(CS(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])cn2)c1 ZINC001607627758 1097681942 /nfs/dbraw/zinc/68/19/42/1097681942.db2.gz DNDLVDYSIHNAEX-UHFFFAOYSA-N -2 1 334.397 2.647 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC001607633682 1097684432 /nfs/dbraw/zinc/68/44/32/1097684432.db2.gz RXRVGCPWHJHZNC-CYBMUJFWSA-N -2 1 333.384 2.524 20 0 EFADML Cc1ccc2snc(C(=O)[N-]c3nnc(CCC(=O)[O-])s3)c2c1 ZINC001607834974 1097747225 /nfs/dbraw/zinc/74/72/25/1097747225.db2.gz BCCCQHCLKWDUIC-UHFFFAOYSA-N -2 1 348.409 2.726 20 0 EFADML Cc1cccc(C[C@H](CNC(=O)c2cc(F)ccc2[O-])C(=O)[O-])c1 ZINC001607850163 1097753035 /nfs/dbraw/zinc/75/30/35/1097753035.db2.gz WMUHJYONKAGAQW-CYBMUJFWSA-N -2 1 331.343 2.513 20 0 EFADML Cc1cccc(C[C@@H](CNC(=O)c2ccc([O-])c(F)c2)C(=O)[O-])c1 ZINC001607850154 1097753155 /nfs/dbraw/zinc/75/31/55/1097753155.db2.gz WDQDCFMBWRRNJX-AWEZNQCLSA-N -2 1 331.343 2.513 20 0 EFADML Cc1ccccc1S(=O)(=O)[N-]c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001607886114 1097767786 /nfs/dbraw/zinc/76/77/86/1097767786.db2.gz CNZBBDGQEIJHRF-LSDHHAIUSA-N -2 1 331.393 2.984 20 0 EFADML O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@H]2CCC[C@H]21 ZINC001608631967 1097971535 /nfs/dbraw/zinc/97/15/35/1097971535.db2.gz UFZHWBOCPYGIPY-SCRDCRAPSA-N -2 1 337.803 2.690 20 0 EFADML O=C([O-])CCc1ccccc1C(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001608740655 1098006108 /nfs/dbraw/zinc/00/61/08/1098006108.db2.gz LDESTNNQLQGSQF-UHFFFAOYSA-N -2 1 325.324 2.538 20 0 EFADML O=C([O-])c1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC001608876932 1098053661 /nfs/dbraw/zinc/05/36/61/1098053661.db2.gz PEXYHKGMGCTOBJ-UHFFFAOYSA-N -2 1 340.287 2.554 20 0 EFADML O=C([O-])c1ccc([C@@H](NC(=O)c2cncc([O-])c2)C(F)(F)F)cc1 ZINC001608878276 1098054786 /nfs/dbraw/zinc/05/47/86/1098054786.db2.gz NEYOPSYIJRJZID-GFCCVEGCSA-N -2 1 340.257 2.519 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cn1 ZINC001608913438 1098069784 /nfs/dbraw/zinc/06/97/84/1098069784.db2.gz NVQGBQIXESQMJX-UHFFFAOYSA-N -2 1 332.381 2.848 20 0 EFADML O=C([O-])c1ccc2c(c1)CN(C(=O)Cc1ccc([O-])c(Cl)c1)CC2 ZINC001608922145 1098073271 /nfs/dbraw/zinc/07/32/71/1098073271.db2.gz WCKJBJXBXBJWAA-UHFFFAOYSA-N -2 1 345.782 2.871 20 0 EFADML O=C([O-])c1ccc2c(c1)CCN(C(=O)c1ccc(Cl)cc1[O-])C2 ZINC001608921662 1098073696 /nfs/dbraw/zinc/07/36/96/1098073696.db2.gz YFWSIJYAHRVCEH-UHFFFAOYSA-N -2 1 331.755 2.942 20 0 EFADML O=C([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(O)c1F ZINC001608933691 1098080003 /nfs/dbraw/zinc/08/00/03/1098080003.db2.gz XBKLKAVDPXHVKW-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML O=C([O-])c1coc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC001608989181 1098101092 /nfs/dbraw/zinc/10/10/92/1098101092.db2.gz WKZKFSBXDWKFFR-UHFFFAOYSA-N -2 1 329.230 2.632 20 0 EFADML C[C@@H](NC(=O)c1ccc([O-])cc1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609771429 1098452368 /nfs/dbraw/zinc/45/23/68/1098452368.db2.gz IFEFXNHBQHTLJO-ABAIWWIYSA-N -2 1 331.343 2.593 20 0 EFADML C[C@H](NC(=O)c1ccc([O-])cc1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609771431 1098452390 /nfs/dbraw/zinc/45/23/90/1098452390.db2.gz IFEFXNHBQHTLJO-NHYWBVRUSA-N -2 1 331.343 2.593 20 0 EFADML CC[C@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC001609889519 1098485315 /nfs/dbraw/zinc/48/53/15/1098485315.db2.gz APSWIXDRBFTMTD-ZDUSSCGKSA-N -2 1 348.399 2.504 20 0 EFADML CC[C@H](C(=O)[O-])C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC001609886203 1098485407 /nfs/dbraw/zinc/48/54/07/1098485407.db2.gz FZBDHIPAPAJRSU-LURJTMIESA-N -2 1 336.569 2.857 20 0 EFADML CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(F)(F)F ZINC001609902924 1098489342 /nfs/dbraw/zinc/48/93/42/1098489342.db2.gz ZLSCFVGVORWKNK-LDWIPMOCSA-N -2 1 343.323 2.542 20 0 EFADML CCOCc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001610037330 1098527243 /nfs/dbraw/zinc/52/72/43/1098527243.db2.gz MEIYNIMSPKQWGP-UHFFFAOYSA-N -2 1 335.381 2.722 20 0 EFADML CCOc1cc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc(Cl)c1[O-] ZINC001610039060 1098528126 /nfs/dbraw/zinc/52/81/26/1098528126.db2.gz GVJCIYPDXHHXPY-UHFFFAOYSA-N -2 1 338.747 2.733 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1C(=O)[O-] ZINC001610526603 1098731491 /nfs/dbraw/zinc/73/14/91/1098731491.db2.gz KUTOGAZOTNBLEO-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML Cc1csc([N-]S(=O)(=O)Cc2cccc(F)c2)c1C(=O)[O-] ZINC001610548339 1098745381 /nfs/dbraw/zinc/74/53/81/1098745381.db2.gz SHMRXHDJTRLVSY-UHFFFAOYSA-N -2 1 329.374 2.836 20 0 EFADML Cc1[nH]c(C(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c(C)c1C(=O)[O-] ZINC001610561242 1098754439 /nfs/dbraw/zinc/75/44/39/1098754439.db2.gz ZKHDWNLCXVBSCU-SNVBAGLBSA-N -2 1 349.412 2.806 20 0 EFADML O=C([O-])[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(Cl)c(F)c1 ZINC001610679097 1098822450 /nfs/dbraw/zinc/82/24/50/1098822450.db2.gz KTGYWBBDGXFUNA-CYBMUJFWSA-N -2 1 341.697 2.880 20 0 EFADML O=C([O-])[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)c(F)c1 ZINC001610679133 1098823457 /nfs/dbraw/zinc/82/34/57/1098823457.db2.gz MJQNNVMPANOWLV-CYBMUJFWSA-N -2 1 341.697 2.880 20 0 EFADML O=C([O-])Cc1csc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001610797859 1098894819 /nfs/dbraw/zinc/89/48/19/1098894819.db2.gz RFRMCOMQABEBQH-UHFFFAOYSA-N -2 1 346.286 2.747 20 0 EFADML O=C([O-])c1ccsc1[N-]S(=O)(=O)/C=C\c1ccccc1F ZINC001610857030 1098941126 /nfs/dbraw/zinc/94/11/26/1098941126.db2.gz OALKTCHPNRNZIL-VURMDHGXSA-N -2 1 327.358 2.998 20 0 EFADML O=C([N-]NC(=O)c1c(Cl)cccc1Cl)c1c([O-])cccc1F ZINC000185019142 1119685103 /nfs/dbraw/zinc/68/51/03/1119685103.db2.gz WUHKJNQRFFPPQU-UHFFFAOYSA-N -2 1 343.141 2.913 20 0 EFADML CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000050196066 214050047 /nfs/dbraw/zinc/05/00/47/214050047.db2.gz FAOZTHVRPYYQLV-UHFFFAOYSA-N -2 1 346.257 2.977 20 0 EFADML O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000053692604 214195213 /nfs/dbraw/zinc/19/52/13/214195213.db2.gz GMKGPMPSWZNPMN-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000058377961 214566273 /nfs/dbraw/zinc/56/62/73/214566273.db2.gz AXFOSZBFPVPFNC-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000194157896 240141658 /nfs/dbraw/zinc/14/16/58/240141658.db2.gz MXZWSPHQEJPOSI-UHFFFAOYSA-N -2 1 334.378 2.795 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000680489379 549333281 /nfs/dbraw/zinc/33/32/81/549333281.db2.gz SVVIYFJACQMOEF-LBPRGKRZSA-N -2 1 349.408 2.759 20 0 EFADML CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC000263455047 141396055 /nfs/dbraw/zinc/39/60/55/141396055.db2.gz BTPQKAGFUVYWQF-SECBINFHSA-N -2 1 344.191 2.664 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1O ZINC000323056526 141496585 /nfs/dbraw/zinc/49/65/85/141496585.db2.gz IRWWLOWISHQEPH-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000337170273 141540810 /nfs/dbraw/zinc/54/08/10/141540810.db2.gz KULFCEVHUNLQRX-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML Cc1cc(C(=O)NCC[C@@H]2CCCC[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000346203282 142166445 /nfs/dbraw/zinc/16/64/45/142166445.db2.gz UJTWBFYEPINXOI-PWSUYJOCSA-N -2 1 344.415 2.691 20 0 EFADML CCOc1cc(C(=O)NCCCCCC(=O)[O-])cc(Cl)c1[O-] ZINC000349546239 142336185 /nfs/dbraw/zinc/33/61/85/142336185.db2.gz VQENREQRYAABTN-UHFFFAOYSA-N -2 1 329.780 2.819 20 0 EFADML Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000349971804 142385020 /nfs/dbraw/zinc/38/50/20/142385020.db2.gz LANHYTAZQKDSLI-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1F ZINC000355783390 147062439 /nfs/dbraw/zinc/06/24/39/147062439.db2.gz HYSAGHRUNGPGEK-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000322566770 311239763 /nfs/dbraw/zinc/23/97/63/311239763.db2.gz DZJSANJXXGYPSS-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000395721238 311957673 /nfs/dbraw/zinc/95/76/73/311957673.db2.gz PEWZOSXNRKPWFC-UHFFFAOYSA-N -2 1 327.383 2.570 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(F)c1 ZINC000405018586 311974019 /nfs/dbraw/zinc/97/40/19/311974019.db2.gz VIPIIWZGPWHAMM-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000424242650 312514128 /nfs/dbraw/zinc/51/41/28/312514128.db2.gz FCHTYTHBSUZRRN-NOZJJQNGSA-N -2 1 341.791 2.770 20 0 EFADML CCc1ccccc1S(=O)(=O)[N-]c1cc(OC)ccc1C(=O)[O-] ZINC000479190177 313262875 /nfs/dbraw/zinc/26/28/75/313262875.db2.gz VKSDBPIYXDSICV-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000547935494 318053746 /nfs/dbraw/zinc/05/37/46/318053746.db2.gz GHOKOKDATYVKIE-VXGBXAGGSA-N -2 1 339.413 2.991 20 0 EFADML C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000547963405 318056916 /nfs/dbraw/zinc/05/69/16/318056916.db2.gz KJRXPKZVEQBBNO-JTQLQIEISA-N -2 1 325.386 2.601 20 0 EFADML O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548265604 318087454 /nfs/dbraw/zinc/08/74/54/318087454.db2.gz FGIDXLATIMVYGO-UHFFFAOYSA-N -2 1 345.376 2.652 20 0 EFADML CC(C)n1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cn1 ZINC000556259088 318385727 /nfs/dbraw/zinc/38/57/27/318385727.db2.gz PVTQNMWOUCXBTM-UHFFFAOYSA-N -2 1 349.334 2.989 20 0 EFADML C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000556703242 318400931 /nfs/dbraw/zinc/40/09/31/318400931.db2.gz RCCOFOZYNOTUEW-BDAKNGLRSA-N -2 1 339.866 2.959 20 0 EFADML C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl ZINC000556703246 318400974 /nfs/dbraw/zinc/40/09/74/318400974.db2.gz RCCOFOZYNOTUEW-IUCAKERBSA-N -2 1 339.866 2.959 20 0 EFADML Cc1nc(-c2ccc(N3CCC[C@H](CC(=O)[O-])C3)nc2)[n-]c(=O)c1C ZINC000563798459 318817155 /nfs/dbraw/zinc/81/71/55/318817155.db2.gz QAGSJWFALAFIQT-CYBMUJFWSA-N -2 1 342.399 2.552 20 0 EFADML CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000570519253 319484984 /nfs/dbraw/zinc/48/49/84/319484984.db2.gz SLCGIKBXZKPTHN-QPUJVOFHSA-N -2 1 337.800 2.503 20 0 EFADML CCOc1cc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000572842153 319709393 /nfs/dbraw/zinc/70/93/93/319709393.db2.gz SMNRSNHFKKHXMO-ONGXEEELSA-N -2 1 341.791 2.627 20 0 EFADML Cc1nc(-c2ccc(N3CCC(CC(=O)[O-])CC3)nc2)[n-]c(=O)c1C ZINC000576759033 320046394 /nfs/dbraw/zinc/04/63/94/320046394.db2.gz PBLUHXFPLFOXSN-UHFFFAOYSA-N -2 1 342.399 2.552 20 0 EFADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000007057334 471589681 /nfs/dbraw/zinc/58/96/81/471589681.db2.gz HQTYQSBGWJMKIO-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000014097290 471851733 /nfs/dbraw/zinc/85/17/33/471851733.db2.gz OIWVBARODCYZGS-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1F ZINC000037396367 472012167 /nfs/dbraw/zinc/01/21/67/472012167.db2.gz XGNGHJDRDGOMEM-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(F)cc1F ZINC000084649965 472203892 /nfs/dbraw/zinc/20/38/92/472203892.db2.gz MHDXZOLJUVCFSK-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c(F)c1 ZINC000076082265 472263831 /nfs/dbraw/zinc/26/38/31/472263831.db2.gz XZBFJZPVUWBDBY-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000057124096 472382976 /nfs/dbraw/zinc/38/29/76/472382976.db2.gz ROCODOWIBTUIQQ-UHFFFAOYSA-N -2 1 333.365 2.750 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1F ZINC000045947270 472488943 /nfs/dbraw/zinc/48/89/43/472488943.db2.gz UQFBALLLOOACOF-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cc1 ZINC000060367163 472648790 /nfs/dbraw/zinc/64/87/90/472648790.db2.gz UFPKOLBCUKNTGI-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000047318041 472689624 /nfs/dbraw/zinc/68/96/24/472689624.db2.gz RBZPXUUWFGSYGO-UHFFFAOYSA-N -2 1 336.756 2.711 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)s1 ZINC000048440947 472878843 /nfs/dbraw/zinc/87/88/43/472878843.db2.gz BVUBYDBVPFYHGN-UHFFFAOYSA-N -2 1 329.374 2.949 20 0 EFADML Cc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cccc1C(=O)[O-] ZINC000065844459 473018081 /nfs/dbraw/zinc/01/80/81/473018081.db2.gz ITBTUFZWEBGNMA-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)ccc12 ZINC000093909277 473161744 /nfs/dbraw/zinc/16/17/44/473161744.db2.gz TXSWMCOGCSODGT-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000265901399 474379224 /nfs/dbraw/zinc/37/92/24/474379224.db2.gz DTKJVNFFUPOAKK-UHFFFAOYSA-N -2 1 338.385 2.691 20 0 EFADML C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)C(=O)[O-] ZINC000184656111 474575212 /nfs/dbraw/zinc/57/52/12/474575212.db2.gz OROIXDJQFBEIBY-NSHDSACASA-N -2 1 337.372 2.890 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1F ZINC000314715106 474865579 /nfs/dbraw/zinc/86/55/79/474865579.db2.gz OGRWKGDSUIABNI-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000317267028 474887688 /nfs/dbraw/zinc/88/76/88/474887688.db2.gz GZQHKOIUIDSLKS-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)ccc1C(=O)[O-] ZINC000319284961 474899798 /nfs/dbraw/zinc/89/97/98/474899798.db2.gz GVANTDQEUPQMQY-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000319459357 474900032 /nfs/dbraw/zinc/90/00/32/474900032.db2.gz BEDGPOHVXJCPKO-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC000319546982 474901434 /nfs/dbraw/zinc/90/14/34/474901434.db2.gz OBAPPQMKZFILRU-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000319775130 474905091 /nfs/dbraw/zinc/90/50/91/474905091.db2.gz AOYKPMGPXIOERO-UHFFFAOYSA-N -2 1 336.413 2.822 20 0 EFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000339077513 474906517 /nfs/dbraw/zinc/90/65/17/474906517.db2.gz QWVLXOORJBDNQJ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000321372965 474925387 /nfs/dbraw/zinc/92/53/87/474925387.db2.gz CVOYSMNWTIHNLZ-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1C(=O)[O-] ZINC000324341757 474966199 /nfs/dbraw/zinc/96/61/99/474966199.db2.gz YCBVBRLKUWTESU-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1 ZINC000345680855 475361889 /nfs/dbraw/zinc/36/18/89/475361889.db2.gz BBUUEBJLBWVEDB-UHFFFAOYSA-N -2 1 347.392 2.843 20 0 EFADML Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)c1 ZINC000354980866 475577155 /nfs/dbraw/zinc/57/71/55/475577155.db2.gz WBBNUBUDIACRNJ-UHFFFAOYSA-N -2 1 349.364 2.531 20 0 EFADML Cc1cc(C(=O)NCC(C)(C)C(C)(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000348482747 475692180 /nfs/dbraw/zinc/69/21/80/475692180.db2.gz XQFRERQMFGIFIG-UHFFFAOYSA-N -2 1 332.404 2.547 20 0 EFADML COCCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1 ZINC000358553652 475766919 /nfs/dbraw/zinc/76/69/19/475766919.db2.gz JFUSOEKKFBATPV-UHFFFAOYSA-N -2 1 349.408 2.683 20 0 EFADML C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000340449092 476041271 /nfs/dbraw/zinc/04/12/71/476041271.db2.gz AMPMIHIDCIPEAH-ZCFIWIBFSA-N -2 1 345.726 2.500 20 0 EFADML CCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000338641938 476079524 /nfs/dbraw/zinc/07/95/24/476079524.db2.gz LWDFAIPSQLOWEQ-UHFFFAOYSA-N -2 1 335.381 2.722 20 0 EFADML CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000362238609 476102310 /nfs/dbraw/zinc/10/23/10/476102310.db2.gz VZWQAYRAHNBZJW-NSHDSACASA-N -2 1 335.372 2.523 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1C(=O)[O-] ZINC000336870876 476153870 /nfs/dbraw/zinc/15/38/70/476153870.db2.gz CIVUORDHZRFLBY-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000357019843 476164016 /nfs/dbraw/zinc/16/40/16/476164016.db2.gz XCSFGKCBFBARQG-UHFFFAOYSA-N -2 1 325.773 2.768 20 0 EFADML COc1c(C)ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C ZINC000357028598 476171015 /nfs/dbraw/zinc/17/10/15/476171015.db2.gz QCHMRWSXXRAHTJ-UHFFFAOYSA-N -2 1 349.408 2.740 20 0 EFADML Cc1coc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])cc12 ZINC000359089621 476178775 /nfs/dbraw/zinc/17/87/75/476178775.db2.gz YRQNCUJZPWLQDF-UHFFFAOYSA-N -2 1 347.348 2.946 20 0 EFADML O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000353679669 476181034 /nfs/dbraw/zinc/18/10/34/476181034.db2.gz RPDLTRDSTRWAHU-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML CCOc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1C ZINC000340725387 476233094 /nfs/dbraw/zinc/23/30/94/476233094.db2.gz APWAGFMNXHPSDF-UHFFFAOYSA-N -2 1 349.408 2.822 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000357105247 476235899 /nfs/dbraw/zinc/23/58/99/476235899.db2.gz NGVVVCIOHSSSIP-UHFFFAOYSA-N -2 1 348.405 2.724 20 0 EFADML CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357108488 476237972 /nfs/dbraw/zinc/23/79/72/476237972.db2.gz VSPNJAZJWBSOTK-LBPRGKRZSA-N -2 1 349.408 2.822 20 0 EFADML Cc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)OCO2 ZINC000357711561 476552927 /nfs/dbraw/zinc/55/29/27/476552927.db2.gz XLJLHYVDMDBMIJ-UHFFFAOYSA-N -2 1 349.364 2.531 20 0 EFADML O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000363184150 476596788 /nfs/dbraw/zinc/59/67/88/476596788.db2.gz PGBSZCAQMLYNDJ-UHFFFAOYSA-N -2 1 325.364 2.833 20 0 EFADML CCC1(CNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CCCCC1 ZINC000357785239 476602909 /nfs/dbraw/zinc/60/29/09/476602909.db2.gz XGZQAMUQZVCGEE-UHFFFAOYSA-N -2 1 344.415 2.835 20 0 EFADML C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000388111323 476775496 /nfs/dbraw/zinc/77/54/96/476775496.db2.gz XHYBIXQFFCTHPR-VHSXEESVSA-N -2 1 335.372 2.523 20 0 EFADML COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000447264896 476967747 /nfs/dbraw/zinc/96/77/47/476967747.db2.gz DGNBYHWNNVLNHN-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)c1 ZINC000432781745 477262232 /nfs/dbraw/zinc/26/22/32/477262232.db2.gz SSZLGPVLGRVJKQ-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML CCC(CC)(C[N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000424368322 477380968 /nfs/dbraw/zinc/38/09/68/477380968.db2.gz PQLCXVQJIGCQRL-UHFFFAOYSA-N -2 1 325.839 2.571 20 0 EFADML Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000436166927 477433263 /nfs/dbraw/zinc/43/32/63/477433263.db2.gz DZLDWBVLCORJIR-UHFFFAOYSA-N -2 1 346.364 2.681 20 0 EFADML CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1 ZINC000436536163 477507236 /nfs/dbraw/zinc/50/72/36/477507236.db2.gz PFDDYABLDVRUJW-UHFFFAOYSA-N -2 1 339.394 2.613 20 0 EFADML CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000436648592 477544426 /nfs/dbraw/zinc/54/44/26/477544426.db2.gz OLKXOVSBMDILLK-UHFFFAOYSA-N -2 1 339.394 2.613 20 0 EFADML Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1c([O-])cccc1[O-] ZINC000436893677 477627852 /nfs/dbraw/zinc/62/78/52/477627852.db2.gz NRHIFUSCWGUVPA-CYBMUJFWSA-N -2 1 337.379 2.886 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)cc1 ZINC000438818424 477887970 /nfs/dbraw/zinc/88/79/70/477887970.db2.gz IVKNERLUXJVDGU-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000570657861 478411727 /nfs/dbraw/zinc/41/17/27/478411727.db2.gz JZQBCXRJYUFFOB-SNVBAGLBSA-N -2 1 343.376 2.884 20 0 EFADML Cc1nc(-c2ccc(N3CCC[C@@H](CC(=O)[O-])C3)nc2)[n-]c(=O)c1C ZINC000563798460 478633059 /nfs/dbraw/zinc/63/30/59/478633059.db2.gz QAGSJWFALAFIQT-ZDUSSCGKSA-N -2 1 342.399 2.552 20 0 EFADML O=C([O-])CC1([N-]S(=O)(=O)c2cc3ccccc3o2)CCCCC1 ZINC000572239734 478785360 /nfs/dbraw/zinc/78/53/60/478785360.db2.gz IPSZCBLMNWDCMY-UHFFFAOYSA-N -2 1 337.397 2.889 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000629312663 480208081 /nfs/dbraw/zinc/20/80/81/480208081.db2.gz BEASDQYUACYDPC-GXFFZTMASA-N -2 1 347.383 2.585 20 0 EFADML O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccs1 ZINC000650238620 480953379 /nfs/dbraw/zinc/95/33/79/480953379.db2.gz PAJPIOVZNDAKKI-JTQLQIEISA-N -2 1 347.364 2.521 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000647738765 481083018 /nfs/dbraw/zinc/08/30/18/481083018.db2.gz CGTKHFCWQROKPS-JTQLQIEISA-N -2 1 330.178 2.758 20 0 EFADML O=C([O-])CCN(C(=O)c1cc2ccccc2cc1[O-])C1CCOCC1 ZINC000653558384 481327754 /nfs/dbraw/zinc/32/77/54/481327754.db2.gz RFGITTKAYVHPKN-UHFFFAOYSA-N -2 1 343.379 2.641 20 0 EFADML CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC)C(C)C ZINC000647123216 481648942 /nfs/dbraw/zinc/64/89/42/481648942.db2.gz DXIBXUKVOYNPIX-LBPRGKRZSA-N -2 1 347.458 2.519 20 0 EFADML CCOc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1C(=O)[O-] ZINC000089750330 521214288 /nfs/dbraw/zinc/21/42/88/521214288.db2.gz RMLZTBPAHDFDCI-UHFFFAOYSA-N -2 1 327.383 2.646 20 0 EFADML CCC(CC)N(CC(C)C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000178015060 528770470 /nfs/dbraw/zinc/77/04/70/528770470.db2.gz NJNQNTNAPBBUCK-UHFFFAOYSA-N -2 1 346.431 2.619 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC000350518559 546027758 /nfs/dbraw/zinc/02/77/58/546027758.db2.gz VLFZYKPDBCLHMI-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1O ZINC000680809726 549391054 /nfs/dbraw/zinc/39/10/54/549391054.db2.gz MGSLCFDEDTVVQH-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000681578575 549570730 /nfs/dbraw/zinc/57/07/30/549570730.db2.gz FBRVKIMNPGNFMW-CMPLNLGQSA-N -2 1 325.386 2.601 20 0 EFADML O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000760105400 575980478 /nfs/dbraw/zinc/98/04/78/575980478.db2.gz WLBOFSYDVPPILZ-UHFFFAOYSA-N -2 1 325.386 2.746 20 0 EFADML O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(O)c2F)c1 ZINC000768047145 577251208 /nfs/dbraw/zinc/25/12/08/577251208.db2.gz OQDUYYBGFYVOOP-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML COc1ccc([C@H](NC(=O)c2cc(Cl)ccc2[O-])C(=O)[O-])cc1 ZINC000737961203 599848585 /nfs/dbraw/zinc/84/85/85/599848585.db2.gz GHJLDJWHCBQMJE-AWEZNQCLSA-N -2 1 335.743 2.610 20 0 EFADML O=C([O-])c1ccc(OCCNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000740166348 599902065 /nfs/dbraw/zinc/90/20/65/599902065.db2.gz ZAGKNMXJZDRMAU-UHFFFAOYSA-N -2 1 335.743 2.553 20 0 EFADML O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000740143087 600093283 /nfs/dbraw/zinc/09/32/83/600093283.db2.gz BKBVLSFVGMINMC-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C(=O)[O-])[nH]1 ZINC000163453813 600175925 /nfs/dbraw/zinc/17/59/25/600175925.db2.gz RHPHZFZNCNOONO-UHFFFAOYSA-N -2 1 332.740 2.615 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(C(=O)[O-])[nH]1 ZINC000163455292 600176139 /nfs/dbraw/zinc/17/61/39/600176139.db2.gz WGEGDZSFINDGSD-UHFFFAOYSA-N -2 1 328.777 2.784 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)c(F)cc1F ZINC000740090094 600234437 /nfs/dbraw/zinc/23/44/37/600234437.db2.gz RYDXQRZKOMPPLV-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML O=C([O-])[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccc(F)cc1 ZINC000740288191 600454323 /nfs/dbraw/zinc/45/43/23/600454323.db2.gz BMKHHZCMIMYLEK-ZDUSSCGKSA-N -2 1 326.226 2.792 20 0 EFADML Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2o1 ZINC000078329296 600810083 /nfs/dbraw/zinc/81/00/83/600810083.db2.gz GBUBBBRWIDRHKZ-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000387248499 600980722 /nfs/dbraw/zinc/98/07/22/600980722.db2.gz LPIWRZSPVDYXJV-UHFFFAOYSA-N -2 1 340.426 2.622 20 0 EFADML O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2c(O)cccc2F)c1 ZINC000740076313 601117003 /nfs/dbraw/zinc/11/70/03/601117003.db2.gz WCKWRUOFGYIKLA-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML O=C([O-])CCCOc1ccc(CNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000833227614 601210894 /nfs/dbraw/zinc/21/08/94/601210894.db2.gz OMGXKZUJUVSQJS-UHFFFAOYSA-N -2 1 347.342 2.705 20 0 EFADML CCc1cccc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC000830269762 601249762 /nfs/dbraw/zinc/24/97/62/601249762.db2.gz GNCMSEFESWZPGY-UHFFFAOYSA-N -2 1 345.380 2.624 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000324348478 601325655 /nfs/dbraw/zinc/32/56/55/601325655.db2.gz DVUBGIUWBIPMRD-FLIBITNWSA-N -2 1 347.392 2.984 20 0 EFADML Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000105388506 601329248 /nfs/dbraw/zinc/32/92/48/601329248.db2.gz LYZCRNMWDAFYLU-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CC1=C(C(=O)[O-])[C@H](c2cc(F)c([O-])c(F)c2)NC(=O)N1CC1CC1 ZINC000828136964 601396713 /nfs/dbraw/zinc/39/67/13/601396713.db2.gz ZWZQFCWWBAHMMV-ZDUSSCGKSA-N -2 1 338.310 2.505 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(C)n1 ZINC000321354993 601770808 /nfs/dbraw/zinc/77/08/08/601770808.db2.gz MCOAVWYZXZTMNE-UXBLZVDNSA-N -2 1 332.381 2.597 20 0 EFADML Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832889086 601856786 /nfs/dbraw/zinc/85/67/86/601856786.db2.gz GRERQCBPMHLBFC-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000320678591 602158481 /nfs/dbraw/zinc/15/84/81/602158481.db2.gz KTEAMVVMUHJGSX-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]n1 ZINC000826910063 602305858 /nfs/dbraw/zinc/30/58/58/602305858.db2.gz YFQNZNTUOUFKGY-YVMONPNESA-N -2 1 349.412 2.507 20 0 EFADML O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000833259149 604807128 /nfs/dbraw/zinc/80/71/28/604807128.db2.gz KJVXBDSWGJAXOM-UHFFFAOYSA-N -2 1 341.772 2.604 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000825957644 604859987 /nfs/dbraw/zinc/85/99/87/604859987.db2.gz XDOGOPJHWHBPDZ-UHFFFAOYSA-N -2 1 346.310 2.832 20 0 EFADML O=C([O-])c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1F ZINC000833153088 604931878 /nfs/dbraw/zinc/93/18/78/604931878.db2.gz JEVZVQDAMXHHIX-UHFFFAOYSA-N -2 1 341.298 2.872 20 0 EFADML Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1 ZINC000128275659 605162767 /nfs/dbraw/zinc/16/27/67/605162767.db2.gz VZCRZJZFKVNQOT-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1F ZINC000833733308 605186381 /nfs/dbraw/zinc/18/63/81/605186381.db2.gz NFIIAUHEUKIHML-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(C(=O)[O-])c1 ZINC000833750923 605187836 /nfs/dbraw/zinc/18/78/36/605187836.db2.gz HNOSHYYMSYPZOE-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML O=C([O-])C1CCC(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000833772311 605214686 /nfs/dbraw/zinc/21/46/86/605214686.db2.gz QVMJCTCMQRMALC-UHFFFAOYSA-N -2 1 329.356 2.612 20 0 EFADML O=P([O-])([O-])OCCNc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001168595167 1258363533 /nfs/dbraw/zinc/36/35/33/1258363533.db2.gz GSXKRDUTLAWETE-UHFFFAOYSA-N -2 1 348.339 2.724 20 0 EFADML CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000821173414 1277476755 /nfs/dbraw/zinc/47/67/55/1277476755.db2.gz PDBGLTCXDBPPFP-GFCCVEGCSA-N -2 1 335.809 2.519 20 0 EFADML Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000793367161 1279580110 /nfs/dbraw/zinc/58/01/10/1279580110.db2.gz HKOKJSFLXKYQST-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175321032 1287402100 /nfs/dbraw/zinc/40/21/00/1287402100.db2.gz YCHAZOOWHJPYJS-UHFFFAOYSA-N -2 1 341.772 2.891 20 0 EFADML Cc1ncc(CO)c(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c1[O-] ZINC001147839592 1281314229 /nfs/dbraw/zinc/31/42/29/1281314229.db2.gz CTNXBDZSAHBCOH-UHFFFAOYSA-N -2 1 343.166 2.853 20 0 EFADML Cc1cc(C)cc([C@@H](C)NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1 ZINC001148927286 1281825129 /nfs/dbraw/zinc/82/51/29/1281825129.db2.gz KVWDYVUIMKMQCO-GFCCVEGCSA-N -2 1 349.408 2.747 20 0 EFADML CC(C)CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927109 1281826054 /nfs/dbraw/zinc/82/60/54/1281826054.db2.gz DBQVHTGOFPLPEK-LLVKDONJSA-N -2 1 329.418 2.584 20 0 EFADML Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n(-c2ccncc2)n1 ZINC001176239148 1287911192 /nfs/dbraw/zinc/91/11/92/1287911192.db2.gz MQDQGOHQKWBXTD-UHFFFAOYSA-N -2 1 338.323 2.716 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2csc(C(=O)[O-])c2)c1 ZINC001176435526 1287974416 /nfs/dbraw/zinc/97/44/16/1287974416.db2.gz FRAAIIDVRKMTSE-UHFFFAOYSA-N -2 1 327.383 2.689 20 0 EFADML O=C([O-])C1(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)CCCCC1 ZINC001180433860 1289521100 /nfs/dbraw/zinc/52/11/00/1289521100.db2.gz FXJZDRWCVQWKFA-UHFFFAOYSA-N -2 1 329.356 2.552 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)cc1C(=O)[O-] ZINC001185315150 1290645902 /nfs/dbraw/zinc/64/59/02/1290645902.db2.gz WODOMRDCXCCDTL-UHFFFAOYSA-N -2 1 347.352 2.792 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc1C ZINC001185906251 1290782869 /nfs/dbraw/zinc/78/28/69/1290782869.db2.gz PUBOXDKKAXBMAC-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@@H](C)O)cc1 ZINC001185906475 1290782894 /nfs/dbraw/zinc/78/28/94/1290782894.db2.gz ZVBDFNXQNLKECC-LLVKDONJSA-N -2 1 335.381 2.547 20 0 EFADML Cc1cnc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186143780 1290876384 /nfs/dbraw/zinc/87/63/84/1290876384.db2.gz IPCBMBLKAWSGJS-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML C[C@@H](O)c1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192100648 1292774520 /nfs/dbraw/zinc/77/45/20/1292774520.db2.gz WSHKNLVOYHTZLG-GFCCVEGCSA-N -2 1 349.408 2.558 20 0 EFADML COc1cc(C)cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192139572 1292807947 /nfs/dbraw/zinc/80/79/47/1292807947.db2.gz ZJPNUCNRGZDDGK-UHFFFAOYSA-N -2 1 349.408 2.822 20 0 EFADML O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cc(F)c([O-])cc1F ZINC001192852936 1293080949 /nfs/dbraw/zinc/08/09/49/1293080949.db2.gz OWOGNYNKNBMXBT-UHFFFAOYSA-N -2 1 331.278 2.814 20 0 EFADML O=C1CCC(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2[O-])CC1 ZINC001194809051 1293720257 /nfs/dbraw/zinc/72/02/57/1293720257.db2.gz HMNUGHWJFMRGDO-UHFFFAOYSA-N -2 1 337.319 2.664 20 0 EFADML O=C(Nc1ccc2[n-]c(=S)sc2c1)c1c[nH]c(=S)[n-]c1=O ZINC001196021557 1294107964 /nfs/dbraw/zinc/10/79/64/1294107964.db2.gz RXIKUWDMSFIXNY-UHFFFAOYSA-N -2 1 336.423 2.622 20 0 EFADML O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cc(Cl)ncc1[O-] ZINC001196389705 1294221712 /nfs/dbraw/zinc/22/17/12/1294221712.db2.gz QUVXMMCCBJBWRC-UHFFFAOYSA-N -2 1 330.731 2.584 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccnc(C(F)(F)F)c1 ZINC001198738635 1295213855 /nfs/dbraw/zinc/21/38/55/1295213855.db2.gz CAFPEQGFQTYLOO-UHFFFAOYSA-N -2 1 346.286 2.599 20 0 EFADML Cc1noc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc12 ZINC001198783187 1295228017 /nfs/dbraw/zinc/22/80/17/1295228017.db2.gz XNLYYFPWDPPXLU-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)c2cnccc12 ZINC001198782325 1295228387 /nfs/dbraw/zinc/22/83/87/1295228387.db2.gz GPPIVCAPWIXBPH-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2c1CCCO2 ZINC001198790166 1295232281 /nfs/dbraw/zinc/23/22/81/1295232281.db2.gz OQXRLQGXRQKWDW-UHFFFAOYSA-N -2 1 333.365 2.511 20 0 EFADML COC(=O)c1nc2ccc(-c3ccc(C(=O)[O-])cc3OC)cc2[n-]1 ZINC001240734895 1314063912 /nfs/dbraw/zinc/06/39/12/1314063912.db2.gz MDADGJLPVGFBOS-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML COC(=O)c1nc2cc(-c3ccc(C(=O)[O-])cc3OC)ccc2[n-]1 ZINC001240734895 1314063914 /nfs/dbraw/zinc/06/39/14/1314063914.db2.gz MDADGJLPVGFBOS-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML COC(=O)c1nc2ccc(-c3ccc(C(=O)[O-])c(F)c3F)cc2[n-]1 ZINC001243515973 1314292865 /nfs/dbraw/zinc/29/28/65/1314292865.db2.gz ZTEMXISOKRJCDN-UHFFFAOYSA-N -2 1 332.262 2.993 20 0 EFADML COC(=O)c1nc2cc(-c3ccc(C(=O)[O-])c(F)c3F)ccc2[n-]1 ZINC001243515973 1314292869 /nfs/dbraw/zinc/29/28/69/1314292869.db2.gz ZTEMXISOKRJCDN-UHFFFAOYSA-N -2 1 332.262 2.993 20 0 EFADML O=C([O-])c1cc(Cl)c(-c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC001244520829 1314387090 /nfs/dbraw/zinc/38/70/90/1314387090.db2.gz ZNXIFPZIBATPKH-UHFFFAOYSA-N -2 1 336.138 2.934 20 0 EFADML O=C([O-])c1cc(Cl)c(-c2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC001244520829 1314387093 /nfs/dbraw/zinc/38/70/93/1314387093.db2.gz ZNXIFPZIBATPKH-UHFFFAOYSA-N -2 1 336.138 2.934 20 0 EFADML CC1(C)CCC[C@H](CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)O1 ZINC000901596773 1310725359 /nfs/dbraw/zinc/72/53/59/1310725359.db2.gz YXBRLIRWXMSFAI-LLVKDONJSA-N -2 1 345.392 2.613 20 0 EFADML CCOC(=O)c1nc2cc(-c3cnc(F)c(C(=O)[O-])c3)ccc2[n-]1 ZINC001244755687 1314408751 /nfs/dbraw/zinc/40/87/51/1314408751.db2.gz ZUUZLDGOEKYDDT-UHFFFAOYSA-N -2 1 329.287 2.639 20 0 EFADML CCOC(=O)c1nc2ccc(-c3cnc(F)c(C(=O)[O-])c3)cc2[n-]1 ZINC001244755687 1314408754 /nfs/dbraw/zinc/40/87/54/1314408754.db2.gz ZUUZLDGOEKYDDT-UHFFFAOYSA-N -2 1 329.287 2.639 20 0 EFADML O=C([O-])c1cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc(C(F)(F)F)c1 ZINC001222626136 1311163560 /nfs/dbraw/zinc/16/35/60/1311163560.db2.gz MYZWJGRJYILPDW-UHFFFAOYSA-N -2 1 349.264 2.883 20 0 EFADML COC(=O)c1nc2ccc(-c3ccc(C(=O)[O-])cc3Cl)nc2[n-]1 ZINC001245374612 1314479292 /nfs/dbraw/zinc/47/92/92/1314479292.db2.gz WPALRDVWASXQDG-UHFFFAOYSA-N -2 1 331.715 2.763 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001213632112 1314584480 /nfs/dbraw/zinc/58/44/80/1314584480.db2.gz WBJRZUOMIDQGAG-UHFFFAOYSA-N -2 1 335.381 2.557 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2ccc(F)c(C(=O)[O-])c2F)c1 ZINC001215278662 1314808346 /nfs/dbraw/zinc/80/83/46/1314808346.db2.gz DPWAXCAYTAUHPK-UHFFFAOYSA-N -2 1 343.307 2.516 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2ccsc2C(=O)[O-])c1 ZINC001215392034 1314829326 /nfs/dbraw/zinc/82/93/26/1314829326.db2.gz UYRDICREUCFVTB-UHFFFAOYSA-N -2 1 327.383 2.689 20 0 EFADML CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cccc(F)c1[O-])C(=O)C2 ZINC001258972927 1316198079 /nfs/dbraw/zinc/19/80/79/1316198079.db2.gz OWGGFVVLYPVJAX-QFYYESIMSA-N -2 1 341.404 2.668 20 0 EFADML CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccn1 ZINC001260184073 1316320961 /nfs/dbraw/zinc/32/09/61/1316320961.db2.gz QXKMCZCYCREAOV-UHFFFAOYSA-N -2 1 334.397 2.878 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncc(Cl)cc2Cl)c1 ZINC001260183646 1316321054 /nfs/dbraw/zinc/32/10/54/1316321054.db2.gz YIIKYBVDDKWLDD-UHFFFAOYSA-N -2 1 347.179 2.887 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc(Cl)n1 ZINC001260222077 1316324368 /nfs/dbraw/zinc/32/43/68/1316324368.db2.gz KFCNTHJDBAECPM-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CC3)cc2)cc1 ZINC001260228911 1316324771 /nfs/dbraw/zinc/32/47/71/1316324771.db2.gz FUNHYODIKLIECD-UHFFFAOYSA-N -2 1 345.376 2.778 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3occc32)ccc1O ZINC001260399782 1316337369 /nfs/dbraw/zinc/33/73/69/1316337369.db2.gz APWPCHABWVAQDN-UHFFFAOYSA-N -2 1 333.321 2.637 20 0 EFADML Cc1nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C(=O)[O-])cc2o1 ZINC001336889307 1331513506 /nfs/dbraw/zinc/51/35/06/1331513506.db2.gz QYLGMQPZXMZMKB-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML O=C([O-])[C@H]1C[C@H]2C[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3[O-])[C@H]2C1 ZINC001551452285 1414078440 /nfs/dbraw/zinc/07/84/40/1414078440.db2.gz ZGVWSDCXPAGSDL-RJVLYZLMSA-N -2 1 343.301 2.640 20 0 EFADML Cc1cc(C(=O)N2CC[C@@H]2C2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001551770298 1414210169 /nfs/dbraw/zinc/21/01/69/1414210169.db2.gz UCCMHBYDCOUQSY-CYBMUJFWSA-N -2 1 342.399 2.539 20 0 EFADML O=C(C[C@H]1CCc2ccccc21)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822945658 1428862087 /nfs/dbraw/zinc/86/20/87/1428862087.db2.gz MYGXUHRTQFUYJI-GFCCVEGCSA-N -2 1 335.367 2.631 20 0 EFADML Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826284836 1429031679 /nfs/dbraw/zinc/03/16/79/1429031679.db2.gz HQDNAFGZCYFBCB-UHFFFAOYSA-N -2 1 343.412 2.593 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)s2)s1 ZINC000823387749 1429057455 /nfs/dbraw/zinc/05/74/55/1429057455.db2.gz WRUOHVWWSQYQQZ-BUSIMMOISA-N -2 1 331.382 2.653 20 0 EFADML C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820301399 1429296112 /nfs/dbraw/zinc/29/61/12/1429296112.db2.gz XGMKDTHFEGTQIZ-SNVBAGLBSA-N -2 1 341.346 2.529 20 0 EFADML CCCc1ccc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000123634343 1423507377 /nfs/dbraw/zinc/50/73/77/1423507377.db2.gz ISOFVJYZDBNPQD-UHFFFAOYSA-N -2 1 343.412 2.620 20 0 EFADML CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000123634343 1423507380 /nfs/dbraw/zinc/50/73/80/1423507380.db2.gz ISOFVJYZDBNPQD-UHFFFAOYSA-N -2 1 343.412 2.620 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000074804004 1424055603 /nfs/dbraw/zinc/05/56/03/1424055603.db2.gz QVNQHPHNRZNWCX-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000074804004 1424055615 /nfs/dbraw/zinc/05/56/15/1424055615.db2.gz QVNQHPHNRZNWCX-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000074811079 1424839491 /nfs/dbraw/zinc/83/94/91/1424839491.db2.gz MVBQDDRYEJBHNH-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cc2c(s1)CCCC2 ZINC000823294710 1425162613 /nfs/dbraw/zinc/16/26/13/1425162613.db2.gz OBHCXAQZBLHVJA-UHFFFAOYSA-N -2 1 341.396 2.765 20 0 EFADML Cc1cccc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])CC2)c1 ZINC000826296522 1425954807 /nfs/dbraw/zinc/95/48/07/1425954807.db2.gz ADGVPWYUQCONMS-UHFFFAOYSA-N -2 1 335.367 2.551 20 0 EFADML Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000737327322 1426424482 /nfs/dbraw/zinc/42/44/82/1426424482.db2.gz ZLNFXQQCFBGNEK-UHFFFAOYSA-N -2 1 343.412 2.593 20 0 EFADML O=C(Nc1ncc(-c2nnn[n-]2)s1)C1(c2cccc(F)c2)CCC1 ZINC000823380444 1427082228 /nfs/dbraw/zinc/08/22/28/1427082228.db2.gz XZZMSOKDNUSHGO-UHFFFAOYSA-N -2 1 344.375 2.523 20 0 EFADML O=C([N-]c1ncc(-c2nn[n-]n2)s1)C1(c2cccc(F)c2)CCC1 ZINC000823380444 1427082232 /nfs/dbraw/zinc/08/22/32/1427082232.db2.gz XZZMSOKDNUSHGO-UHFFFAOYSA-N -2 1 344.375 2.523 20 0 EFADML O=C(Nc1ccc2[n-]c(=S)oc2c1)c1sccc1-c1nn[n-]n1 ZINC000823355926 1429843980 /nfs/dbraw/zinc/84/39/80/1429843980.db2.gz GELCIQMWTYRABX-UHFFFAOYSA-N -2 1 344.381 2.610 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000823387617 1441455949 /nfs/dbraw/zinc/45/59/49/1441455949.db2.gz QUKBDEBLYFROHY-TZFCGSKZSA-N -2 1 331.382 2.653 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000823387574 1441642417 /nfs/dbraw/zinc/64/24/17/1441642417.db2.gz PMVSQLKHPVWAGE-CIIODKQPSA-N -2 1 343.343 2.731 20 0 EFADML CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823942691 1441881605 /nfs/dbraw/zinc/88/16/05/1441881605.db2.gz HIZDLJZKHJDWHI-FMIVXFBMSA-N -2 1 335.367 2.923 20 0 EFADML CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000344534292 1442490438 /nfs/dbraw/zinc/49/04/38/1442490438.db2.gz CYJOGCSFZVQUQS-UHFFFAOYSA-N -2 1 343.412 2.791 20 0 EFADML CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000344534292 1442490440 /nfs/dbraw/zinc/49/04/40/1442490440.db2.gz CYJOGCSFZVQUQS-UHFFFAOYSA-N -2 1 343.412 2.791 20 0 EFADML Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cnc2ccccc12 ZINC000826234608 1443195001 /nfs/dbraw/zinc/19/50/01/1443195001.db2.gz FQYSAJOPUUHIDU-UHFFFAOYSA-N -2 1 346.350 2.681 20 0 EFADML O=C(C=CSc1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826400428 1443660556 /nfs/dbraw/zinc/66/05/56/1443660556.db2.gz YVMIKIPMLNHHFW-HJWRWDBZSA-N -2 1 339.380 2.817 20 0 EFADML CC(C)c1nc(C=Cc2cc(-c3nnn[n-]3)cs2)ncc1C(=O)[O-] ZINC000820201996 1443696360 /nfs/dbraw/zinc/69/63/60/1443696360.db2.gz DJYZETIMMMMSSV-ONEGZZNKSA-N -2 1 342.384 2.710 20 0 EFADML CCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000736696875 1443889493 /nfs/dbraw/zinc/88/94/93/1443889493.db2.gz DCKXEBYZOTXEIH-UHFFFAOYSA-N -2 1 343.412 2.538 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nnn[n-]2)cc1C ZINC000826293057 1443931143 /nfs/dbraw/zinc/93/11/43/1443931143.db2.gz YVWNRYIANROAIZ-UHFFFAOYSA-N -2 1 343.412 2.593 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826299784 1443967525 /nfs/dbraw/zinc/96/75/25/1443967525.db2.gz VBAHBCFTTPKNDZ-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1cc(C)cc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])CC2)c1 ZINC000826264355 1446299184 /nfs/dbraw/zinc/29/91/84/1446299184.db2.gz LHLXIUUTRUAYGY-UHFFFAOYSA-N -2 1 349.394 2.859 20 0 EFADML O=C(C=CSc1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826400427 1446316294 /nfs/dbraw/zinc/31/62/94/1446316294.db2.gz YVMIKIPMLNHHFW-CMDGGOBGSA-N -2 1 339.380 2.817 20 0 EFADML CC(C)Oc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000820154949 1449542053 /nfs/dbraw/zinc/54/20/53/1449542053.db2.gz DXOVQYTXBHTLTP-UHFFFAOYSA-N -2 1 339.355 2.612 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(O)c2)ccc1Cl ZINC000040414043 714454624 /nfs/dbraw/zinc/45/46/24/714454624.db2.gz TWGZQBRNRZYNLA-UHFFFAOYSA-N -2 1 327.745 2.545 20 0 EFADML O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cccc(F)c2)cc1F ZINC000317679599 715078664 /nfs/dbraw/zinc/07/86/64/715078664.db2.gz LWMWIOZFLZTKPC-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML CCC(CC)(CNC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-] ZINC000909385078 716842362 /nfs/dbraw/zinc/84/23/62/716842362.db2.gz ORZPPDYLLPBYOV-UHFFFAOYSA-N -2 1 329.780 2.675 20 0 EFADML [O-]C(=NOCc1ccc(F)cc1Br)N=c1cn[n-]s1 ZINC000192347685 720828416 /nfs/dbraw/zinc/82/84/16/720828416.db2.gz PWXXIDXNCWGETI-UHFFFAOYSA-N -2 1 347.169 2.693 20 0 EFADML Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000320722189 724784863 /nfs/dbraw/zinc/78/48/63/724784863.db2.gz RMKKMWHIENBGFA-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML O=C([O-])CCC1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000909438022 723205912 /nfs/dbraw/zinc/20/59/12/723205912.db2.gz PTPHHHLHMCXOMD-UHFFFAOYSA-N -2 1 328.368 2.657 20 0 EFADML O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000909494154 723522644 /nfs/dbraw/zinc/52/26/44/723522644.db2.gz MOXFQMQEVCRXSG-SNVBAGLBSA-N -2 1 331.290 2.880 20 0 EFADML O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3[O-])[C@@H]2C1 ZINC000907950814 727061376 /nfs/dbraw/zinc/06/13/76/727061376.db2.gz ZGVWSDCXPAGSDL-VNOQCFOKSA-N -2 1 343.301 2.640 20 0 EFADML COc1cc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc(Cl)c1[O-] ZINC000908031241 727081916 /nfs/dbraw/zinc/08/19/16/727081916.db2.gz SBNGTBPARZIRSF-LLVKDONJSA-N -2 1 329.780 2.673 20 0 EFADML CC(C)CN(CCC(=O)[O-])C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000908855193 727276247 /nfs/dbraw/zinc/27/62/47/727276247.db2.gz OEHGREJNWFQEQS-UHFFFAOYSA-N -2 1 334.347 2.652 20 0 EFADML CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000909702737 727364442 /nfs/dbraw/zinc/36/44/42/727364442.db2.gz INGAETSSCRRTMP-OAHLLOKOSA-N -2 1 345.317 2.984 20 0 EFADML C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H](C(=O)[O-])C1 ZINC000909782425 727377153 /nfs/dbraw/zinc/37/71/53/727377153.db2.gz RYOXFUDEHYCZNM-KCJUWKMLSA-N -2 1 331.290 2.736 20 0 EFADML CCOc1cc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000910045489 727407809 /nfs/dbraw/zinc/40/78/09/727407809.db2.gz XBNYGHZAXYSADE-GFCCVEGCSA-N -2 1 341.791 2.914 20 0 EFADML O=C([O-])[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000910104856 727412781 /nfs/dbraw/zinc/41/27/81/727412781.db2.gz YSWZKAMUJFUBPS-LJQANCHMSA-N -2 1 343.354 2.833 20 0 EFADML CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000910113074 727413598 /nfs/dbraw/zinc/41/35/98/727413598.db2.gz DCIGBCRRLFAVCB-SFHVURJKSA-N -2 1 328.368 2.800 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)ccc1F ZINC000324328699 971109212 /nfs/dbraw/zinc/10/92/12/971109212.db2.gz JSISMPHWRVHUDX-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000324890625 971166900 /nfs/dbraw/zinc/16/69/00/971166900.db2.gz SFZVCWLNWNTIAL-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000325540060 971224962 /nfs/dbraw/zinc/22/49/62/971224962.db2.gz GUFFYEDTXRIEEZ-UHFFFAOYSA-N -2 1 347.392 2.612 20 0 EFADML O=C([O-])c1cccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC001595244922 949508030 /nfs/dbraw/zinc/50/80/30/949508030.db2.gz GLQCDXKZSMBTDY-UHFFFAOYSA-N -2 1 326.352 2.645 20 0 EFADML O=C([O-])c1cncc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000236491740 949921572 /nfs/dbraw/zinc/92/15/72/949921572.db2.gz WXCYXWUGEZVXFN-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2ccc(O)cc2[O-])C1 ZINC001595025007 951338031 /nfs/dbraw/zinc/33/80/31/951338031.db2.gz WIBZMBOUHIQYNU-GFCCVEGCSA-N -2 1 341.363 2.782 20 0 EFADML C[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC[C@@H]1C(=O)[O-] ZINC001589383873 954297973 /nfs/dbraw/zinc/29/79/73/954297973.db2.gz PCVZIYRVHOYOOG-KOLCDFICSA-N -2 1 348.786 2.777 20 0 EFADML Cc1cc([N-]S(=O)(=O)CCc2ccccc2)sc1C(=O)[O-] ZINC000037404875 957278440 /nfs/dbraw/zinc/27/84/40/957278440.db2.gz PBXXRGCQWUJJCF-UHFFFAOYSA-N -2 1 325.411 2.739 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000037591768 957312863 /nfs/dbraw/zinc/31/28/63/957312863.db2.gz XRHSYZLMSKYIOH-UHFFFAOYSA-N -2 1 333.337 2.834 20 0 EFADML O=C([O-])CCCCCCNC(=O)c1ccc(Br)cc1[O-] ZINC000044483622 957446452 /nfs/dbraw/zinc/44/64/52/957446452.db2.gz ALPVJRCDPYKWFP-UHFFFAOYSA-N -2 1 344.205 2.920 20 0 EFADML CCC1CCC([N-]S(=O)(=O)c2cc(F)ccc2F)(C(=O)[O-])CC1 ZINC000390242993 972271695 /nfs/dbraw/zinc/27/16/95/972271695.db2.gz CGHLVHRZWITAKW-UHFFFAOYSA-N -2 1 347.383 2.667 20 0 EFADML Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1C(=O)[O-] ZINC000390440941 972285544 /nfs/dbraw/zinc/28/55/44/972285544.db2.gz WUPUEIWQNFMLRW-UHFFFAOYSA-N -2 1 349.286 2.813 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000072636511 957735070 /nfs/dbraw/zinc/73/50/70/957735070.db2.gz SWCCBQZZERFPPQ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])C1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCCCC1 ZINC001574535097 961918634 /nfs/dbraw/zinc/91/86/34/961918634.db2.gz SRIGCZYWVGAIDI-UHFFFAOYSA-N -2 1 325.792 2.882 20 0 EFADML O=C([O-])c1ccc(C(=O)Nc2cccc([O-])c2Br)o1 ZINC001571168344 962022784 /nfs/dbraw/zinc/02/27/84/962022784.db2.gz IEQJMEKPSFBKKI-UHFFFAOYSA-N -2 1 326.102 2.698 20 0 EFADML CC(C)c1ccc(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)c([O-])c1 ZINC001571184747 962187087 /nfs/dbraw/zinc/18/70/87/962187087.db2.gz GLYSXLXANZLDJK-UHFFFAOYSA-N -2 1 329.356 2.609 20 0 EFADML CC(C)C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)[O-] ZINC001571207803 962419285 /nfs/dbraw/zinc/41/92/85/962419285.db2.gz DQRXVCGDPDZVBG-VIFPVBQESA-N -2 1 333.306 2.888 20 0 EFADML CC(C)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c([O-])c1 ZINC001588966784 962649275 /nfs/dbraw/zinc/64/92/75/962649275.db2.gz KTDDOTPZDFLWHK-UHFFFAOYSA-N -2 1 331.372 2.784 20 0 EFADML O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC000318270015 970421755 /nfs/dbraw/zinc/42/17/55/970421755.db2.gz LMACRCZVSJTMMR-VMPITWQZSA-N -2 1 338.772 2.634 20 0 EFADML O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001606056268 973167399 /nfs/dbraw/zinc/16/73/99/973167399.db2.gz REOMTLITOJRMQC-KRWDZBQOSA-N -2 1 345.782 2.799 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)c(F)c1 ZINC000404993478 973756919 /nfs/dbraw/zinc/75/69/19/973756919.db2.gz DRQKHOWIRYPSLM-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC001603600985 973847489 /nfs/dbraw/zinc/84/74/89/973847489.db2.gz DLNKZCJBYCLEPA-SFHVURJKSA-N -2 1 349.431 2.505 20 0 EFADML C[C@@](CNC(=O)Cc1ccc([O-])c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001592654508 978636908 /nfs/dbraw/zinc/63/69/08/978636908.db2.gz YZRBRTGQOKCHOK-SFHVURJKSA-N -2 1 347.798 2.747 20 0 EFADML O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788751360 978797991 /nfs/dbraw/zinc/79/79/91/978797991.db2.gz VXEIFGOKEVPGJV-UHFFFAOYSA-N -2 1 349.339 2.699 20 0 EFADML Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000793349242 978802764 /nfs/dbraw/zinc/80/27/64/978802764.db2.gz LYGKGJPSWFZCCU-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CCC(CC)(CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C(=O)[O-] ZINC001595071186 979340554 /nfs/dbraw/zinc/34/05/54/979340554.db2.gz FNFTZJOYNRDWTC-UHFFFAOYSA-N -2 1 346.387 2.590 20 0 EFADML CCC(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595216758 980017429 /nfs/dbraw/zinc/01/74/29/980017429.db2.gz MMHSGLYTRUUZRC-VIFPVBQESA-N -2 1 325.233 2.993 20 0 EFADML CCC(CC)(CNC(=O)NCc1ccc([O-])c(Cl)c1)C(=O)[O-] ZINC000874404950 980182823 /nfs/dbraw/zinc/18/28/23/980182823.db2.gz KLQZAGCVYXKGOA-UHFFFAOYSA-N -2 1 328.796 2.736 20 0 EFADML CCC([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)(C1CC1)C1CC1 ZINC001595310398 980467718 /nfs/dbraw/zinc/46/77/18/980467718.db2.gz GXBSVYXQYJUFRF-UHFFFAOYSA-N -2 1 347.820 2.878 20 0 EFADML CCOc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc(Cl)c1[O-] ZINC000902172824 980767492 /nfs/dbraw/zinc/76/74/92/980767492.db2.gz FMWASVKAVGFEPA-GXSJLCMTSA-N -2 1 341.791 2.627 20 0 EFADML CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CCCC1 ZINC001595379726 980919466 /nfs/dbraw/zinc/91/94/66/980919466.db2.gz RJCJUXCVYGYQNC-UHFFFAOYSA-N -2 1 335.809 2.880 20 0 EFADML CCc1c(=O)n(-c2ccc(C(=O)[O-])cn2)[n-]c1-c1cccc(OC)c1 ZINC001595402094 980978217 /nfs/dbraw/zinc/97/82/17/980978217.db2.gz SWDZTHNZRZFRPV-CQSZACIVSA-N -2 1 339.351 2.566 20 0 EFADML CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)[nH]n1 ZINC001595578666 981502244 /nfs/dbraw/zinc/50/22/44/981502244.db2.gz GQLSHMWNVPFQFB-QMMMGPOBSA-N -2 1 341.389 2.714 20 0 EFADML CCCOc1ccccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001595974141 983198798 /nfs/dbraw/zinc/19/87/98/983198798.db2.gz LSDCKLBEIPCKNJ-UHFFFAOYSA-N -2 1 341.429 2.862 20 0 EFADML CCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)cc1 ZINC001596069468 983384111 /nfs/dbraw/zinc/38/41/11/983384111.db2.gz YTZUPKKTULXDLY-UHFFFAOYSA-N -2 1 334.397 2.720 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC001589291237 986037632 /nfs/dbraw/zinc/03/76/32/986037632.db2.gz ZXRXSTNAPYLBCE-UHFFFAOYSA-N -2 1 346.379 2.716 20 0 EFADML CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC001589756913 988068406 /nfs/dbraw/zinc/06/84/06/988068406.db2.gz HJJNWICEOPBSCL-JTQLQIEISA-N -2 1 337.800 2.647 20 0 EFADML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC001597578640 988374903 /nfs/dbraw/zinc/37/49/03/988374903.db2.gz IRISRGVOJPWAGJ-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML CSc1ccc([O-])c(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC001599820215 988500220 /nfs/dbraw/zinc/50/02/20/988500220.db2.gz SMGNTVGILKFNOB-UHFFFAOYSA-N -2 1 343.364 2.941 20 0 EFADML CN(C(=O)c1cc2ccccc2cc1[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001598081882 990397332 /nfs/dbraw/zinc/39/73/32/990397332.db2.gz GHUHHHCWFUMWAV-INIZCTEOSA-N -2 1 343.379 2.640 20 0 EFADML COc1cccc([C@H](NC(=O)c2cc(Cl)ccc2[O-])C(=O)[O-])c1 ZINC001599687448 991009038 /nfs/dbraw/zinc/00/90/38/991009038.db2.gz YWKTUNBRZATYDK-AWEZNQCLSA-N -2 1 335.743 2.610 20 0 EFADML CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)[nH]n1 ZINC001591266930 992183470 /nfs/dbraw/zinc/18/34/70/992183470.db2.gz WZKMURRTRYNJQK-UHFFFAOYSA-N -2 1 343.430 2.559 20 0 EFADML C[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593172474 994036826 /nfs/dbraw/zinc/03/68/26/994036826.db2.gz NGRQMADGSYETJX-RISCZKNCSA-N -2 1 331.343 2.593 20 0 EFADML COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001599656554 994590950 /nfs/dbraw/zinc/59/09/50/994590950.db2.gz GCISMBGBZDBNHY-MRXNPFEDSA-N -2 1 347.342 2.838 20 0 EFADML COc1cccc(C)c1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001599661137 994657964 /nfs/dbraw/zinc/65/79/64/994657964.db2.gz GBVNBXRXHPKXBB-UHFFFAOYSA-N -2 1 341.429 2.780 20 0 EFADML C[C@@H](OC(=O)Cc1ccc([O-])c(Cl)c1)c1nc(C(=O)[O-])co1 ZINC001593536897 995598753 /nfs/dbraw/zinc/59/87/53/995598753.db2.gz AWCYWKZKHDSUOK-SSDOTTSWSA-N -2 1 325.704 2.579 20 0 EFADML CC1(C)CCC[C@]([N-]S(=O)(=O)c2cccc(F)c2F)(C(=O)[O-])C1 ZINC001593899449 996764079 /nfs/dbraw/zinc/76/40/79/996764079.db2.gz KTMJRDMSDVDQKI-OAHLLOKOSA-N -2 1 347.383 2.667 20 0 EFADML COC(=O)c1c[n-]c(S[C@@H](C(=O)[O-])c2ccc(Cl)cc2)n1 ZINC001598917190 997494550 /nfs/dbraw/zinc/49/45/50/997494550.db2.gz LFTYSSGCJURLOJ-SNVBAGLBSA-N -2 1 326.761 2.768 20 0 EFADML COC(=O)c1cc(CSc2nc(C)c(C)c(=O)[n-]2)cc(C(=O)[O-])c1 ZINC001598934220 997831830 /nfs/dbraw/zinc/83/18/30/997831830.db2.gz GGOXCUKCSIRXIX-UHFFFAOYSA-N -2 1 348.380 2.576 20 0 EFADML CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001589768554 1093138700 /nfs/dbraw/zinc/13/87/00/1093138700.db2.gz NKKQXTOHMWLZEX-UHFFFAOYSA-N -2 1 349.441 2.852 20 0 EFADML Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001599999746 1094710512 /nfs/dbraw/zinc/71/05/12/1094710512.db2.gz DQXBTORABVYNJZ-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1O ZINC001600163794 1094828389 /nfs/dbraw/zinc/82/83/89/1094828389.db2.gz UXVWBJCCQAECHU-UHFFFAOYSA-N -2 1 335.381 2.816 20 0 EFADML Cc1cc(C)cc([C@@H](NC(=O)c2cc(C)cc(C=O)c2[O-])C(=O)[O-])c1 ZINC001600169762 1094836718 /nfs/dbraw/zinc/83/67/18/1094836718.db2.gz NCENEOFLKRDJIV-MRXNPFEDSA-N -2 1 341.363 2.686 20 0 EFADML Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC001600198909 1094870273 /nfs/dbraw/zinc/87/02/73/1094870273.db2.gz RSTGKVVPQRVRKD-NWDGAFQWSA-N -2 1 344.333 2.839 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@]2(C)CCCC[C@H]2C(=O)[O-])c(F)c1 ZINC001600228018 1094901808 /nfs/dbraw/zinc/90/18/08/1094901808.db2.gz AVQRWCLISKRCMZ-ZUZCIYMTSA-N -2 1 347.383 2.585 20 0 EFADML Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2N(C)C)c1 ZINC001600390476 1095028507 /nfs/dbraw/zinc/02/85/07/1095028507.db2.gz BNRZMZMUJGWHRV-UHFFFAOYSA-N -2 1 348.424 2.868 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1C(=O)[O-] ZINC001600550826 1095156573 /nfs/dbraw/zinc/15/65/73/1095156573.db2.gz ZUXYPBSJBYTRAL-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cnc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c([O-])c1 ZINC001600615904 1095213929 /nfs/dbraw/zinc/21/39/29/1095213929.db2.gz BUYALIRBLCVXOJ-KRWDZBQOSA-N -2 1 348.786 2.565 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001600689278 1095262155 /nfs/dbraw/zinc/26/21/55/1095262155.db2.gz YSNPJTIJQBRLMC-ZDUSSCGKSA-N -2 1 349.431 2.625 20 0 EFADML Cc1nc2ccc([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)cc2o1 ZINC001600727516 1095293780 /nfs/dbraw/zinc/29/37/80/1095293780.db2.gz SGZHKFQRMJBSNA-UHFFFAOYSA-N -2 1 346.364 2.564 20 0 EFADML Cc1oc(-c2ccccc2F)nc1C(=O)[N-]c1nc(C(=O)[O-])ns1 ZINC001600821135 1095354862 /nfs/dbraw/zinc/35/48/62/1095354862.db2.gz GOESGSMMEXDFOG-UHFFFAOYSA-N -2 1 348.315 2.591 20 0 EFADML Cc1oc(C)c(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1C(=O)[O-] ZINC001600838618 1095369002 /nfs/dbraw/zinc/36/90/02/1095369002.db2.gz OILYERAADWGHFO-UHFFFAOYSA-N -2 1 349.368 2.580 20 0 EFADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F ZINC001600836751 1095370191 /nfs/dbraw/zinc/37/01/91/1095370191.db2.gz QBJASAOBEFMUHB-SNVBAGLBSA-N -2 1 343.323 2.542 20 0 EFADML Cc1onc(-c2cccc(F)c2)c1C(=O)[N-]c1nc(C(=O)[O-])ns1 ZINC001600862099 1095387048 /nfs/dbraw/zinc/38/70/48/1095387048.db2.gz GOIATGRGCDLYMG-UHFFFAOYSA-N -2 1 348.315 2.591 20 0 EFADML O=C([O-])[C@H](NC(=O)c1ncc2ccccc2c1[O-])C1CCCCC1 ZINC001601393952 1095651159 /nfs/dbraw/zinc/65/11/59/1095651159.db2.gz DMGHGMCPCVNSTN-CQSZACIVSA-N -2 1 328.368 2.704 20 0 EFADML O=C([O-])[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccc(O)c1 ZINC001601397481 1095654374 /nfs/dbraw/zinc/65/43/74/1095654374.db2.gz LXQDHWXZNWJXHF-MRXNPFEDSA-N -2 1 337.331 2.807 20 0 EFADML O=C([O-])[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc2ccccc21 ZINC001601398026 1095655128 /nfs/dbraw/zinc/65/51/28/1095655128.db2.gz RDYDECGGTPNRNY-KRWDZBQOSA-N -2 1 349.342 2.670 20 0 EFADML O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001601406760 1095660835 /nfs/dbraw/zinc/66/08/35/1095660835.db2.gz QBUSPSMPADTLPN-ZETCQYMHSA-N -2 1 345.195 2.546 20 0 EFADML O=C([O-])[C@@H](Cc1cc2ccccc2o1)NC(=O)c1c([O-])cccc1F ZINC001601422354 1095667701 /nfs/dbraw/zinc/66/77/01/1095667701.db2.gz PEBQELVYLWMXHM-CYBMUJFWSA-N -2 1 343.310 2.703 20 0 EFADML O=C([O-])c1cc(-c2csc(NC(=O)c3ccc(F)c([O-])c3)n2)c[nH]1 ZINC001601629108 1095772000 /nfs/dbraw/zinc/77/20/00/1095772000.db2.gz ZSTATKPAKCFDTH-UHFFFAOYSA-N -2 1 347.327 2.933 20 0 EFADML O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C1CCCCC1 ZINC001601679007 1095813710 /nfs/dbraw/zinc/81/37/10/1095813710.db2.gz IADBCVBBWXODLK-LBPRGKRZSA-N -2 1 349.811 2.791 20 0 EFADML O=C([O-])C12CCC(C(=O)Nc3n[nH]c4cc(O)ccc43)(CC1)CC2 ZINC001601731656 1095871033 /nfs/dbraw/zinc/87/10/33/1095871033.db2.gz FMSBECFXHYFSNZ-UHFFFAOYSA-N -2 1 329.356 2.632 20 0 EFADML O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)CC2 ZINC001601774443 1095901894 /nfs/dbraw/zinc/90/18/94/1095901894.db2.gz YYVCYCJVVKCPHT-LLVKDONJSA-N -2 1 343.301 2.738 20 0 EFADML O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Br)c([O-])c2)C1 ZINC001601805015 1095910484 /nfs/dbraw/zinc/91/04/84/1095910484.db2.gz WEOCMWBQWPAEOQ-BDAKNGLRSA-N -2 1 342.189 2.984 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)Cc2ccccc21 ZINC001601845835 1095932330 /nfs/dbraw/zinc/93/23/30/1095932330.db2.gz SUTLCIUBNPPCEE-GFCCVEGCSA-N -2 1 331.755 2.870 20 0 EFADML O=C([O-])[C@@H]1CN(Cc2ccc([O-])c(F)c2F)c2ccc(F)cc2O1 ZINC001601848259 1095933852 /nfs/dbraw/zinc/93/38/52/1095933852.db2.gz ZMZRAZWVOUGOOL-ZDUSSCGKSA-N -2 1 339.269 2.662 20 0 EFADML O=C([O-])CC1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCCC1 ZINC001601916749 1095975552 /nfs/dbraw/zinc/97/55/52/1095975552.db2.gz UJBBDWREVJRDCO-UHFFFAOYSA-N -2 1 325.792 2.739 20 0 EFADML O=C([O-])CCNC(=O)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC001602024493 1096023630 /nfs/dbraw/zinc/02/36/30/1096023630.db2.gz ZETKDZZKPNBFEI-UHFFFAOYSA-N -2 1 348.786 2.862 20 0 EFADML O=C([O-])COc1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001602095688 1096061495 /nfs/dbraw/zinc/06/14/95/1096061495.db2.gz KFQYQMSTAGDROW-UHFFFAOYSA-N -2 1 347.392 2.828 20 0 EFADML O=C([O-])c1ccc(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC001602315857 1096174636 /nfs/dbraw/zinc/17/46/36/1096174636.db2.gz GEYNVMPQGRSRBN-UHFFFAOYSA-N -2 1 340.307 2.793 20 0 EFADML O=C([O-])c1ccc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)cc1 ZINC001602339490 1096190056 /nfs/dbraw/zinc/19/00/56/1096190056.db2.gz PCPPJMLDAOKVLI-UHFFFAOYSA-N -2 1 329.327 2.780 20 0 EFADML O=C([O-])c1ccc2ccccc2c1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC001602428521 1096239805 /nfs/dbraw/zinc/23/98/05/1096239805.db2.gz UTMBGQDYXUEUQG-ZDUSSCGKSA-N -2 1 349.408 2.849 20 0 EFADML O=C([O-])c1ccc2cc(CCNC(=O)c3ccc([O-])cc3F)oc2c1 ZINC001602427983 1096239977 /nfs/dbraw/zinc/23/99/77/1096239977.db2.gz JAUXNLJNUFIUJB-UHFFFAOYSA-N -2 1 343.310 2.948 20 0 EFADML O=C([O-])c1ccccc1CCNC(=O)c1ncc2ccccc2c1[O-] ZINC001602467851 1096262181 /nfs/dbraw/zinc/26/21/81/1096262181.db2.gz FDGFAHODZNMKLD-UHFFFAOYSA-N -2 1 336.347 2.611 20 0 EFADML CC(=O)c1c(C)oc2ncnc([N-]c3nc(CC(=O)[O-])cs3)c21 ZINC001603098776 1096440279 /nfs/dbraw/zinc/44/02/79/1096440279.db2.gz VMRMSYJCHQVWID-UHFFFAOYSA-N -2 1 332.341 2.561 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001603112109 1096447019 /nfs/dbraw/zinc/44/70/19/1096447019.db2.gz MIWNHDJLJGKTQZ-UHFFFAOYSA-N -2 1 332.308 2.594 20 0 EFADML CC(C)(C)c1nc(NC(=O)C(=O)c2ccc([O-])cc2)sc1C(=O)[O-] ZINC001603556855 1096551049 /nfs/dbraw/zinc/55/10/49/1096551049.db2.gz NJRFQIDFSAWRCI-UHFFFAOYSA-N -2 1 348.380 2.666 20 0 EFADML CC(C)(CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)CC(=O)[O-] ZINC001603638922 1096573361 /nfs/dbraw/zinc/57/33/61/1096573361.db2.gz KYQZTQCOBRNMRP-UHFFFAOYSA-N -2 1 336.775 2.825 20 0 EFADML CC(C)c1cccc(-n2cc([O-])c(C(=O)O[C@H](C(=O)[O-])C3CC3)n2)c1 ZINC001604004269 1096694668 /nfs/dbraw/zinc/69/46/68/1096694668.db2.gz KGGFVNOQVGLATL-INIZCTEOSA-N -2 1 344.367 2.721 20 0 EFADML C[C@](CC(=O)[O-])(NC(=O)c1cc(F)ccc1[O-])c1cccc(F)c1 ZINC001604084649 1096725254 /nfs/dbraw/zinc/72/52/54/1096725254.db2.gz FDUJXVAUHYOGAU-QGZVFWFLSA-N -2 1 335.306 2.790 20 0 EFADML C[C@@](CC(=O)[O-])(NC(=O)c1cc(Cl)ccc1[O-])c1ccccn1 ZINC001604084523 1096726264 /nfs/dbraw/zinc/72/62/64/1096726264.db2.gz DGWRDCFJGZWMRS-INIZCTEOSA-N -2 1 334.759 2.561 20 0 EFADML CC1(C)CCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001604532143 1096896779 /nfs/dbraw/zinc/89/67/79/1096896779.db2.gz POBJHKOZXKERKY-QMMMGPOBSA-N -2 1 335.809 2.736 20 0 EFADML C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CC1 ZINC001604714790 1096938968 /nfs/dbraw/zinc/93/89/68/1096938968.db2.gz BDFYZIKMWSNGRL-KOLCDFICSA-N -2 1 347.383 2.910 20 0 EFADML C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001604715154 1096939370 /nfs/dbraw/zinc/93/93/70/1096939370.db2.gz HPZSENLIUCMGTQ-BDAKNGLRSA-N -2 1 335.809 2.736 20 0 EFADML CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604941594 1096985196 /nfs/dbraw/zinc/98/51/96/1096985196.db2.gz AWMRJWUROVMJJP-RKDXNWHRSA-N -2 1 335.372 2.766 20 0 EFADML CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001605160535 1097037672 /nfs/dbraw/zinc/03/76/72/1097037672.db2.gz HEZJOTHJDFBZGY-RKDXNWHRSA-N -2 1 335.809 2.878 20 0 EFADML CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605164965 1097038857 /nfs/dbraw/zinc/03/88/57/1097038857.db2.gz JTNJHIAPCJDWKP-BXKDBHETSA-N -2 1 347.383 2.910 20 0 EFADML CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605163481 1097039278 /nfs/dbraw/zinc/03/92/78/1097039278.db2.gz NSCXMCWLNVASEN-GZMMTYOYSA-N -2 1 333.356 2.520 20 0 EFADML CCCCC[C@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)[O-] ZINC001605258615 1097070861 /nfs/dbraw/zinc/07/08/61/1097070861.db2.gz JTBZESMCKZEGOV-LBPRGKRZSA-N -2 1 334.347 2.843 20 0 EFADML CCc1ccc(O)c([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC001605821368 1097237984 /nfs/dbraw/zinc/23/79/84/1097237984.db2.gz DXRQZIGNGKCGHO-UHFFFAOYSA-N -2 1 341.429 2.731 20 0 EFADML Cc1cc(Cl)nnc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167932368 1097317899 /nfs/dbraw/zinc/31/78/99/1097317899.db2.gz RHBVPFYAYNAZTR-UHFFFAOYSA-N -2 1 339.719 2.523 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3ccncc3n2)Cc2ccccc2C1 ZINC001167937134 1097364850 /nfs/dbraw/zinc/36/48/50/1097364850.db2.gz SVTFZRNPDGLGSF-UHFFFAOYSA-N -2 1 341.307 2.715 20 0 EFADML O=P([O-])([O-])C1(Nc2cnc3c(c2)CN=N3)Cc2ccccc2C1 ZINC001167940297 1097397254 /nfs/dbraw/zinc/39/72/54/1097397254.db2.gz UNIYONKIGLLOTF-UHFFFAOYSA-N -2 1 330.284 2.764 20 0 EFADML O=C([O-])c1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)nc1 ZINC001606500392 1097409559 /nfs/dbraw/zinc/40/95/59/1097409559.db2.gz FDJXIYAFKGLILG-UHFFFAOYSA-N -2 1 326.230 2.757 20 0 EFADML COc1cc(C(=O)NCc2cc(C)c(C(=O)[O-])o2)cc(Cl)c1[O-] ZINC001607080341 1097508151 /nfs/dbraw/zinc/50/81/51/1097508151.db2.gz UQYHLJONJXHOEG-UHFFFAOYSA-N -2 1 339.731 2.584 20 0 EFADML COc1cc(C(=O)[O-])ccc1CCNC(=O)c1ccc(Cl)cc1[O-] ZINC001607115838 1097520381 /nfs/dbraw/zinc/52/03/81/1097520381.db2.gz QSVHUSKBCXGWSU-UHFFFAOYSA-N -2 1 349.770 2.725 20 0 EFADML COc1cc(C)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1F ZINC001607148739 1097543347 /nfs/dbraw/zinc/54/33/47/1097543347.db2.gz APYPSUPZZODZNE-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cc(OC)cc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[n-]2)c1 ZINC001607184527 1097554409 /nfs/dbraw/zinc/55/44/09/1097554409.db2.gz UGNPCNYIRKJYHI-UHFFFAOYSA-N -2 1 326.308 2.718 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1F ZINC001607325790 1097601334 /nfs/dbraw/zinc/60/13/34/1097601334.db2.gz IMRVALSWJWPQGG-UHFFFAOYSA-N -2 1 345.373 2.703 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001607562904 1097662030 /nfs/dbraw/zinc/66/20/30/1097662030.db2.gz AQBVEQVQMIMYPV-OCAPTIKFSA-N -2 1 328.162 2.512 20 0 EFADML Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001607666822 1097695013 /nfs/dbraw/zinc/69/50/13/1097695013.db2.gz VVQXFZRRRRGYQA-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC001607749164 1097718659 /nfs/dbraw/zinc/71/86/59/1097718659.db2.gz XTYZEEDFORKVRE-UHFFFAOYSA-N -2 1 347.392 2.567 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)c(C(=O)[O-])c1 ZINC001607821804 1097742843 /nfs/dbraw/zinc/74/28/43/1097742843.db2.gz DIWFRDOZZNISFJ-UHFFFAOYSA-N -2 1 347.392 2.567 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC001607822774 1097744116 /nfs/dbraw/zinc/74/41/16/1097744116.db2.gz DFFOGIFCLMHTGZ-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1C(=O)[O-] ZINC001607863014 1097758204 /nfs/dbraw/zinc/75/82/04/1097758204.db2.gz ICODYDGJZLEFHA-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML Cc1ccnc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC001607895559 1097770989 /nfs/dbraw/zinc/77/09/89/1097770989.db2.gz UWUIWJPNYXRDEV-UHFFFAOYSA-N -2 1 346.408 2.908 20 0 EFADML Cc1oc(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC001608047079 1097815757 /nfs/dbraw/zinc/81/57/57/1097815757.db2.gz FRNLYQGFQQKHKL-UHFFFAOYSA-N -2 1 345.248 2.973 20 0 EFADML Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC001608086252 1097829989 /nfs/dbraw/zinc/82/99/89/1097829989.db2.gz LENYIUJAWFFZOI-AWEZNQCLSA-N -2 1 346.358 2.935 20 0 EFADML O=C(C=Cc1cc(C(=O)[O-])co1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001608283398 1097880629 /nfs/dbraw/zinc/88/06/29/1097880629.db2.gz DKOGEHOOIJBFJX-AATRIKPKSA-N -2 1 339.307 2.521 20 0 EFADML O=C([O-])c1n[nH]c2ccc(NC(=O)Cc3ccc([O-])c(Cl)c3)cc21 ZINC001608359804 1097901985 /nfs/dbraw/zinc/90/19/85/1097901985.db2.gz FDYAIZVFPXGLHY-UHFFFAOYSA-N -2 1 345.742 2.801 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1c([O-])cnc2c(F)cccc21)c1ccsc1 ZINC001608387648 1097908638 /nfs/dbraw/zinc/90/86/38/1097908638.db2.gz KQMBYTTVQYWHQO-ZDUSSCGKSA-N -2 1 346.339 2.697 20 0 EFADML O=C([O-])c1cc(NC(=O)c2ccc([O-])cn2)ccc1Br ZINC001608504354 1097934688 /nfs/dbraw/zinc/93/46/88/1097934688.db2.gz XGWZXWXEPDVCFK-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML O=C([O-])c1nc(C(=O)Nc2cccc([O-])c2Br)cs1 ZINC001608517040 1097938901 /nfs/dbraw/zinc/93/89/01/1097938901.db2.gz HNECUSYVVRLBAQ-UHFFFAOYSA-N -2 1 343.158 2.562 20 0 EFADML O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc2ccccc2cc1[O-] ZINC001608598624 1097964713 /nfs/dbraw/zinc/96/47/13/1097964713.db2.gz BVVQGSNYAZVFHO-VBQJREDUSA-N -2 1 325.364 2.871 20 0 EFADML O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC001608705550 1097994979 /nfs/dbraw/zinc/99/49/79/1097994979.db2.gz QLRWFOJCOLRAOU-OAHLLOKOSA-N -2 1 347.411 2.895 20 0 EFADML O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1F ZINC001608705777 1097995169 /nfs/dbraw/zinc/99/51/69/1097995169.db2.gz UGJXJBRCWSBKTF-ZDUSSCGKSA-N -2 1 331.343 2.737 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC001608787920 1098021712 /nfs/dbraw/zinc/02/17/12/1098021712.db2.gz RCNSEXRHTVGMHT-UHFFFAOYSA-N -2 1 342.376 2.663 20 0 EFADML O=C([O-])[C@@H](F)C[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001608800492 1098026669 /nfs/dbraw/zinc/02/66/69/1098026669.db2.gz YNYJDPOYJFAWSW-QMMMGPOBSA-N -2 1 330.089 2.624 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)c1F ZINC001608850266 1098044357 /nfs/dbraw/zinc/04/43/57/1098044357.db2.gz LCVHKLOEUQCPEW-SECBINFHSA-N -2 1 345.367 2.522 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]C/C=C/c2ccccc2)oc1Cl ZINC001608861700 1098047701 /nfs/dbraw/zinc/04/77/01/1098047701.db2.gz KSOQWKMMJKTZQM-QPJJXVBHSA-N -2 1 341.772 2.623 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]CCC[C@@H]2C=CCC2)oc1Cl ZINC001608861575 1098047720 /nfs/dbraw/zinc/04/77/20/1098047720.db2.gz BJKOHLBCGQVFSV-SECBINFHSA-N -2 1 333.793 2.656 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]CCC[C@H]2C=CCC2)oc1Cl ZINC001608861576 1098048148 /nfs/dbraw/zinc/04/81/48/1098048148.db2.gz BJKOHLBCGQVFSV-VIFPVBQESA-N -2 1 333.793 2.656 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2F)s1 ZINC001608905332 1098066738 /nfs/dbraw/zinc/06/67/38/1098066738.db2.gz QSHBUJIOXQFBKI-FPLPWBNLSA-N -2 1 327.358 2.998 20 0 EFADML CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(O)cc1[O-] ZINC001609714033 1098435521 /nfs/dbraw/zinc/43/55/21/1098435521.db2.gz YVTJTZXRLAHXSE-UHFFFAOYSA-N -2 1 331.324 2.836 20 0 EFADML C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC001609731815 1098441098 /nfs/dbraw/zinc/44/10/98/1098441098.db2.gz BFHIEHTXHLLGQJ-NSHDSACASA-N -2 1 348.399 2.504 20 0 EFADML COC(=O)c1c[n-]c(S[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])n1 ZINC001610195182 1098566342 /nfs/dbraw/zinc/56/63/42/1098566342.db2.gz DOHKIWJVEROSRE-NSHDSACASA-N -2 1 340.788 2.638 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC001610474322 1098697286 /nfs/dbraw/zinc/69/72/86/1098697286.db2.gz BEYQSBURCUVECX-UHFFFAOYSA-N -2 1 338.385 2.609 20 0 EFADML Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001610479885 1098701394 /nfs/dbraw/zinc/70/13/94/1098701394.db2.gz IWOMBSHWLABOPU-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)c(F)c1 ZINC001610679134 1098823763 /nfs/dbraw/zinc/82/37/63/1098823763.db2.gz MJQNNVMPANOWLV-ZDUSSCGKSA-N -2 1 341.697 2.880 20 0 EFADML O=C([O-])CCN(Cc1ccncc1)C(=O)c1c([O-])cccc1Cl ZINC001610773718 1098879716 /nfs/dbraw/zinc/87/97/16/1098879716.db2.gz SNOYVZHAXQCRIO-UHFFFAOYSA-N -2 1 334.759 2.558 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cc1N ZINC001211964785 1104748242 /nfs/dbraw/zinc/74/82/42/1104748242.db2.gz BKOOYDUUNKEAQI-UHFFFAOYSA-N -2 1 340.788 2.730 20 0 EFADML C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000054334118 214231687 /nfs/dbraw/zinc/23/16/87/214231687.db2.gz OVVIMDLLLQZMNT-RXMQYKEDSA-N -2 1 346.619 2.646 20 0 EFADML CSc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000314350236 295684454 /nfs/dbraw/zinc/68/44/54/295684454.db2.gz URRWMACRHYNKNH-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1Cl ZINC000037641989 213161262 /nfs/dbraw/zinc/16/12/62/213161262.db2.gz KSONSUFKLUGUER-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000193484722 240112133 /nfs/dbraw/zinc/11/21/33/240112133.db2.gz CEOOZNZXMODWDA-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231725285 242270187 /nfs/dbraw/zinc/27/01/87/242270187.db2.gz BFQDUELOYXYTJJ-JTQLQIEISA-N -2 1 344.191 2.520 20 0 EFADML CCOc1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc(Cl)c1[O-] ZINC000262682984 245117756 /nfs/dbraw/zinc/11/77/56/245117756.db2.gz XAHAWFDLIOKVPQ-LLVKDONJSA-N -2 1 329.780 2.673 20 0 EFADML CCCC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC000262827618 245199083 /nfs/dbraw/zinc/19/90/83/245199083.db2.gz QQVWFESGWBJVRH-LLVKDONJSA-N -2 1 329.780 2.818 20 0 EFADML CCOc1cc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000263395869 141390082 /nfs/dbraw/zinc/39/00/82/141390082.db2.gz ZIBKTTJKIJVKFQ-MWLCHTKSSA-N -2 1 341.791 2.627 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)ccc1C(=O)[O-] ZINC000349993538 142388468 /nfs/dbraw/zinc/38/84/68/142388468.db2.gz WKRPHIMBCAFKOU-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1C(=O)[O-] ZINC000342271126 145091555 /nfs/dbraw/zinc/09/15/55/145091555.db2.gz GGHLKZMEMZHHEL-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML CCC1CCC(CNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1 ZINC000344028382 145349847 /nfs/dbraw/zinc/34/98/47/145349847.db2.gz IGFQUXZNHBSUJZ-UHFFFAOYSA-N -2 1 344.415 2.691 20 0 EFADML Cc1cc(C(=O)NCC[C@@H](C)CC(C)(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000344173080 145384734 /nfs/dbraw/zinc/38/47/34/145384734.db2.gz CMQAKDSZVAAQKQ-SNVBAGLBSA-N -2 1 346.431 2.937 20 0 EFADML Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Cl ZINC000360517544 148381261 /nfs/dbraw/zinc/38/12/61/148381261.db2.gz YPOTWJDYWXLNNM-UHFFFAOYSA-N -3 1 341.772 2.853 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1C(=O)[O-] ZINC000152954168 544729474 /nfs/dbraw/zinc/72/94/74/544729474.db2.gz JXVRAPJAJKCFFX-UHFFFAOYSA-N -2 1 345.380 2.624 20 0 EFADML CC(C)(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)CC(=O)[O-] ZINC000275054247 266745285 /nfs/dbraw/zinc/74/52/85/266745285.db2.gz SVTWGJZDXLUBNJ-UHFFFAOYSA-N -2 1 346.257 2.834 20 0 EFADML Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000280509511 273335444 /nfs/dbraw/zinc/33/54/44/273335444.db2.gz LHVIMPQVGNSGDT-LLVKDONJSA-N -2 1 344.415 2.643 20 0 EFADML CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289002785 274691463 /nfs/dbraw/zinc/69/14/63/274691463.db2.gz HFDAHDKPBJJSAW-JTQLQIEISA-N -2 1 347.268 2.957 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000321804704 311238902 /nfs/dbraw/zinc/23/89/02/311238902.db2.gz ZHCBLTBCKREUSH-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000323227509 311240000 /nfs/dbraw/zinc/24/00/00/311240000.db2.gz NTGUAJCPNJJICK-UHFFFAOYSA-N -2 1 335.381 2.762 20 0 EFADML Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489720844 313600664 /nfs/dbraw/zinc/60/06/64/313600664.db2.gz VDIMADPQZFEMNE-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(F)c1[O-] ZINC000530145967 317062552 /nfs/dbraw/zinc/06/25/52/317062552.db2.gz WHURZENMWBJZHY-ZDUSSCGKSA-N -2 1 339.388 2.531 20 0 EFADML CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000530815511 317181871 /nfs/dbraw/zinc/18/18/71/317181871.db2.gz QZBQIIWLQSKVTJ-RYUDHWBXSA-N -2 1 344.415 2.833 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000532416829 317398139 /nfs/dbraw/zinc/39/81/39/317398139.db2.gz VOKXFBWTKDIOJQ-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000547548348 318018449 /nfs/dbraw/zinc/01/84/49/318018449.db2.gz IVLNHTFINVYAKD-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000547876126 318050411 /nfs/dbraw/zinc/05/04/11/318050411.db2.gz DMGMQKXLFCXQHK-HAQNSBGRSA-N -2 1 337.397 2.602 20 0 EFADML CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000547936851 318053989 /nfs/dbraw/zinc/05/39/89/318053989.db2.gz TXUCZMARXMSUNE-GXSJLCMTSA-N -2 1 335.372 2.523 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c(F)c1 ZINC000548196557 318083744 /nfs/dbraw/zinc/08/37/44/318083744.db2.gz HYUJSTIPAIEINJ-UHFFFAOYSA-N -2 1 345.298 2.744 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1N(C)C ZINC000548210194 318084587 /nfs/dbraw/zinc/08/45/87/318084587.db2.gz DZVFGHUTGYIYSV-UHFFFAOYSA-N -2 1 334.397 2.560 20 0 EFADML CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1F ZINC000548238607 318086261 /nfs/dbraw/zinc/08/62/61/318086261.db2.gz LFKRQLSHRRJMBQ-VIFPVBQESA-N -2 1 335.372 2.523 20 0 EFADML O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000548259795 318086881 /nfs/dbraw/zinc/08/68/81/318086881.db2.gz BCQSPMCOCAPJLM-JQWIXIFHSA-N -2 1 347.383 2.667 20 0 EFADML C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548593669 318121725 /nfs/dbraw/zinc/12/17/25/318121725.db2.gz KAXIWKNLAANKFO-LLVKDONJSA-N -2 1 325.386 2.745 20 0 EFADML C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000566314099 319061754 /nfs/dbraw/zinc/06/17/54/319061754.db2.gz ZPTQKDVTIFRVDW-TZMCWYRMSA-N -2 1 349.811 2.791 20 0 EFADML CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000569333070 319370703 /nfs/dbraw/zinc/37/07/03/319370703.db2.gz PTEOBWLUXIVKOL-YMTOWFKASA-N -2 1 343.376 2.596 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c(F)c1 ZINC000577365354 320103804 /nfs/dbraw/zinc/10/38/04/320103804.db2.gz BKDWDWWLGIMNRG-JTQLQIEISA-N -2 1 335.372 2.585 20 0 EFADML O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(F)ccc2F)CCCCC1 ZINC000390892949 323780660 /nfs/dbraw/zinc/78/06/60/323780660.db2.gz ZKKNDMDEQVJFLZ-UHFFFAOYSA-N -2 1 347.383 2.668 20 0 EFADML COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000391727523 323784384 /nfs/dbraw/zinc/78/43/84/323784384.db2.gz HVTATHKVESPTDF-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC ZINC000579838847 324043450 /nfs/dbraw/zinc/04/34/50/324043450.db2.gz BWDAGFBNBIZUSM-SECBINFHSA-N -2 1 333.381 2.853 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(F)c1 ZINC000149869854 473331156 /nfs/dbraw/zinc/33/11/56/473331156.db2.gz YGKMXLPBYQWHFJ-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000084041543 473384875 /nfs/dbraw/zinc/38/48/75/473384875.db2.gz ILAVQWHIMBHQNJ-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC000013278611 471825083 /nfs/dbraw/zinc/82/50/83/471825083.db2.gz SUTIEBOPSBMSNW-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000075582317 472162430 /nfs/dbraw/zinc/16/24/30/472162430.db2.gz NYUOWANSLNGCMC-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000042792556 472170108 /nfs/dbraw/zinc/17/01/08/472170108.db2.gz ZXUAKILFZFRJRY-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000055678571 472223413 /nfs/dbraw/zinc/22/34/13/472223413.db2.gz XOGUSKUFWWRDSR-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000087496654 472342144 /nfs/dbraw/zinc/34/21/44/472342144.db2.gz JTLREYOHJSPPAU-LURJTMIESA-N -2 1 346.257 2.690 20 0 EFADML C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000070311791 472497464 /nfs/dbraw/zinc/49/74/64/472497464.db2.gz ZFDYJKXSUQOUCS-YFKPBYRVSA-N -2 1 332.230 2.587 20 0 EFADML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000059768103 472629659 /nfs/dbraw/zinc/62/96/59/472629659.db2.gz CGEDFNIIVMDILG-UHFFFAOYSA-N -2 1 336.756 2.711 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1 ZINC000060800189 472678873 /nfs/dbraw/zinc/67/88/73/472678873.db2.gz WDHJZNVIMIWZHT-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1Cl ZINC000048567808 472889178 /nfs/dbraw/zinc/88/91/78/472889178.db2.gz VSGXHTDCSDKBCD-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000066290447 473070007 /nfs/dbraw/zinc/07/00/07/473070007.db2.gz WTSMUGAQRJJGGJ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1nc(-c2ccc(NC3CCC(C(=O)[O-])CC3)nc2)[n-]c(=O)c1C ZINC000263545347 473772844 /nfs/dbraw/zinc/77/28/44/473772844.db2.gz GNKFJHDQXNLMHJ-UHFFFAOYSA-N -2 1 342.399 2.916 20 0 EFADML CCOc1cc(C(=O)NC(C)(C)CCC(=O)[O-])cc(Cl)c1[O-] ZINC000263575606 473782988 /nfs/dbraw/zinc/78/29/88/473782988.db2.gz PHXPZRIORAAUPH-UHFFFAOYSA-N -2 1 329.780 2.818 20 0 EFADML Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000186930510 473783293 /nfs/dbraw/zinc/78/32/93/473783293.db2.gz BYARLQFTSXHJDY-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])CCCCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000236427313 474272486 /nfs/dbraw/zinc/27/24/86/474272486.db2.gz SFSXWADGOHWBQO-UHFFFAOYSA-N -2 1 330.178 2.530 20 0 EFADML C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000184656153 474575680 /nfs/dbraw/zinc/57/56/80/474575680.db2.gz SWBQQZAHDISZPK-NSHDSACASA-N -2 1 337.372 2.890 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000337056592 474668871 /nfs/dbraw/zinc/66/88/71/474668871.db2.gz VFARPYXEXPXONA-UHFFFAOYSA-N -2 1 335.381 2.513 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000340809868 474682154 /nfs/dbraw/zinc/68/21/54/474682154.db2.gz XONZNNWZZABYEQ-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1F ZINC000313224957 474856378 /nfs/dbraw/zinc/85/63/78/474856378.db2.gz BGIFVLJFQJJXGX-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1F ZINC000313921077 474857619 /nfs/dbraw/zinc/85/76/19/474857619.db2.gz DSCYKEPLVLVRJZ-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cs1 ZINC000315919941 474874256 /nfs/dbraw/zinc/87/42/56/474874256.db2.gz VSUDMTOOUBZCOE-UHFFFAOYSA-N -2 1 349.336 2.849 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000318242922 474890549 /nfs/dbraw/zinc/89/05/49/474890549.db2.gz AEUOTOCKFVIHSV-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1F ZINC000319808558 474904449 /nfs/dbraw/zinc/90/44/49/474904449.db2.gz CSDNSCPFKVZICA-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000320413662 474911737 /nfs/dbraw/zinc/91/17/37/474911737.db2.gz QZEMKJIINREFCA-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000320682477 474914724 /nfs/dbraw/zinc/91/47/24/474914724.db2.gz LMONEWDONIMZDH-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1F ZINC000322828928 474941634 /nfs/dbraw/zinc/94/16/34/474941634.db2.gz IDRCRZXOHQKFIO-UHFFFAOYSA-N -2 1 335.356 2.813 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1O ZINC000323247698 474947678 /nfs/dbraw/zinc/94/76/78/474947678.db2.gz SHTQCJMXBIRWIC-UHFFFAOYSA-N -2 1 335.381 2.816 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000323427958 474949688 /nfs/dbraw/zinc/94/96/88/474949688.db2.gz VNWZHWTUNXNEGS-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000323858969 474957635 /nfs/dbraw/zinc/95/76/35/474957635.db2.gz WYVNTJULPZHLNM-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML CCCOc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000325110015 474983494 /nfs/dbraw/zinc/98/34/94/474983494.db2.gz DDLPLAKZPWPNFX-UHFFFAOYSA-N -2 1 349.408 2.903 20 0 EFADML COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000326225583 475000518 /nfs/dbraw/zinc/00/05/18/475000518.db2.gz SSUUFWXKPLYRLE-UHFFFAOYSA-N -2 1 349.408 2.683 20 0 EFADML O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000297143430 475628617 /nfs/dbraw/zinc/62/86/17/475628617.db2.gz IJLBIWFXLAGQEH-JQWIXIFHSA-N -2 1 347.383 2.667 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C)cc1C ZINC000358500347 475729095 /nfs/dbraw/zinc/72/90/95/475729095.db2.gz DJOXYBDYKUXXSO-UHFFFAOYSA-N -2 1 349.408 2.740 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc(C)c1F ZINC000361980810 475912988 /nfs/dbraw/zinc/91/29/88/475912988.db2.gz CNLPAMZXHQOXIG-UHFFFAOYSA-N -2 1 337.372 2.870 20 0 EFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000361982036 475914254 /nfs/dbraw/zinc/91/42/54/475914254.db2.gz IIOAUHJYAKXCCV-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1F ZINC000336867853 476150108 /nfs/dbraw/zinc/15/01/08/476150108.db2.gz PRERDGYFQQJEGI-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000362297917 476151185 /nfs/dbraw/zinc/15/11/85/476151185.db2.gz GJESHBCREAUNAN-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000359058640 476152856 /nfs/dbraw/zinc/15/28/56/476152856.db2.gz VLXZJCGBNUTOLY-UHFFFAOYSA-N -2 1 334.378 2.795 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000362303716 476155592 /nfs/dbraw/zinc/15/55/92/476155592.db2.gz AQLMZQILRYDHOK-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000362308874 476159656 /nfs/dbraw/zinc/15/96/56/476159656.db2.gz LPBUVSWVMYTITP-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(CO)ccc1C ZINC000353671678 476176528 /nfs/dbraw/zinc/17/65/28/476176528.db2.gz BGIPINMPYKSZNT-UHFFFAOYSA-N -2 1 349.408 2.549 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)cc1C(=O)[O-] ZINC000340673738 476196735 /nfs/dbraw/zinc/19/67/35/476196735.db2.gz KVOCEHBEQRIMCH-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML CCc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)ccc1F ZINC000357084043 476218394 /nfs/dbraw/zinc/21/83/94/476218394.db2.gz JKHBBDMXPSOWEV-UHFFFAOYSA-N -2 1 337.372 2.816 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(C)cc1C ZINC000357090554 476223799 /nfs/dbraw/zinc/22/37/99/476223799.db2.gz RGLFEQFJKPXAEE-UHFFFAOYSA-N -2 1 349.408 2.740 20 0 EFADML COC(=O)c1ccc([O-])c(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000436509795 477499176 /nfs/dbraw/zinc/49/91/76/477499176.db2.gz BXPPPQQLMKXQKP-UHFFFAOYSA-N -2 1 335.356 2.543 20 0 EFADML CC(C)[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000515839437 477867941 /nfs/dbraw/zinc/86/79/41/477867941.db2.gz JYKVEWWVJRADHI-HNNXBMFYSA-N -2 1 343.376 2.740 20 0 EFADML CCc1nc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)ccc2o1 ZINC000561617648 478197089 /nfs/dbraw/zinc/19/70/89/478197089.db2.gz HRLYNLXJZTUVMK-UHFFFAOYSA-N -2 1 346.364 2.889 20 0 EFADML CC(C)Sc1n[nH]c(NS(=O)(=O)Cc2ccccc2Cl)n1 ZINC000584878770 479269242 /nfs/dbraw/zinc/26/92/42/479269242.db2.gz IBRHNKSQONECMH-UHFFFAOYSA-N -2 1 346.865 2.901 20 0 EFADML C[C@@]1([N-]S(=O)(=O)c2cc3ccccc3o2)CCCC[C@H]1C(=O)[O-] ZINC000574397389 479279143 /nfs/dbraw/zinc/27/91/43/479279143.db2.gz MUDFTHDJZBKAKC-BLLLJJGKSA-N -2 1 337.397 2.745 20 0 EFADML CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC)C(C)C ZINC000647123215 481648814 /nfs/dbraw/zinc/64/88/14/481648814.db2.gz DXIBXUKVOYNPIX-GFCCVEGCSA-N -2 1 347.458 2.519 20 0 EFADML CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000663099828 482069234 /nfs/dbraw/zinc/06/92/34/482069234.db2.gz FANAKJCROQKNFD-OAHLLOKOSA-N -2 1 347.411 2.560 20 0 EFADML CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000172605644 527540975 /nfs/dbraw/zinc/54/09/75/527540975.db2.gz AXYIXQUBBLMCIP-UHFFFAOYSA-N -2 1 337.372 2.989 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1 ZINC000078976592 527638366 /nfs/dbraw/zinc/63/83/66/527638366.db2.gz UDUZCIPPPCJQIS-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc(C(=O)[O-])c1 ZINC000350517544 546028019 /nfs/dbraw/zinc/02/80/19/546028019.db2.gz RGMDYMIYRVSFHA-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CCOc1cc(C(=O)N(CC(=O)[O-])C2CCC2)cc(Cl)c1[O-] ZINC000655589245 546494767 /nfs/dbraw/zinc/49/47/67/546494767.db2.gz YFLWYGIJRVZWFR-UHFFFAOYSA-N -2 1 327.764 2.524 20 0 EFADML Cc1nc(-c2ccc(NC[C@H](CC(=O)[O-])C3CC3)nc2)[n-]c(=O)c1C ZINC000656784026 546922902 /nfs/dbraw/zinc/92/29/02/546922902.db2.gz PRXDINVQRXVJLH-AWEZNQCLSA-N -2 1 342.399 2.774 20 0 EFADML CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc([O-])c(F)c1 ZINC000681015305 549442125 /nfs/dbraw/zinc/44/21/25/549442125.db2.gz YVQYQHKGQUSAQR-UHFFFAOYSA-N -2 1 333.344 2.514 20 0 EFADML CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000757646447 575847339 /nfs/dbraw/zinc/84/73/39/575847339.db2.gz RHWDCNYGVZPHQB-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000320146275 597313556 /nfs/dbraw/zinc/31/35/56/597313556.db2.gz MRWXEKCXTYXIHI-UHFFFAOYSA-N -2 1 331.393 2.603 20 0 EFADML CCN1CCc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc21 ZINC000076195330 599801384 /nfs/dbraw/zinc/80/13/84/599801384.db2.gz UNPPZECNNRAXGF-UHFFFAOYSA-N -2 1 346.408 2.568 20 0 EFADML CCOCc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000737178211 599815492 /nfs/dbraw/zinc/81/54/92/599815492.db2.gz SONVXHJDXTVXDK-UHFFFAOYSA-N -2 1 335.381 2.722 20 0 EFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000322913304 599852910 /nfs/dbraw/zinc/85/29/10/599852910.db2.gz JZYYSHPNNWOXRX-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1F ZINC000738632509 600093017 /nfs/dbraw/zinc/09/30/17/600093017.db2.gz DSUQCAHHCQRLOT-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1F ZINC000740013048 600101644 /nfs/dbraw/zinc/10/16/44/600101644.db2.gz WMYWBACVLQAZLP-UHFFFAOYSA-N -2 1 328.296 2.856 20 0 EFADML O=C([O-])c1cc(F)ccc1COC(=O)c1c([O-])cc(F)cc1F ZINC000740077086 600116962 /nfs/dbraw/zinc/11/69/62/600116962.db2.gz DSKFXYHILORSLX-UHFFFAOYSA-N -2 1 326.226 2.865 20 0 EFADML O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000166560153 600636747 /nfs/dbraw/zinc/63/67/47/600636747.db2.gz YCUKOJMQUANDLK-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])C[C@H]1CSCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000739651199 600665585 /nfs/dbraw/zinc/66/55/85/600665585.db2.gz PDZPKARRCBPABC-ZDUSSCGKSA-N -2 1 331.393 2.578 20 0 EFADML CCOc1cc(C(=O)Nc2c([O-])cccc2F)ccc1OCC(=O)[O-] ZINC000830039115 600723079 /nfs/dbraw/zinc/72/30/79/600723079.db2.gz XQVMTIRMZWEGER-UHFFFAOYSA-N -2 1 349.314 2.646 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)cc1 ZINC000323857323 601317033 /nfs/dbraw/zinc/31/70/33/601317033.db2.gz DWWYKMLOTYGXIO-WCIBSUBMSA-N -2 1 345.376 2.788 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000324348475 601325485 /nfs/dbraw/zinc/32/54/85/601325485.db2.gz DVUBGIUWBIPMRD-DHZHZOJOSA-N -2 1 347.392 2.984 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1 ZINC000170047589 601357375 /nfs/dbraw/zinc/35/73/75/601357375.db2.gz DRXSYFKYUFTAFF-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000828672154 601480661 /nfs/dbraw/zinc/48/06/61/601480661.db2.gz NXEHEWRNAULAIN-SNVBAGLBSA-N -2 1 346.257 2.977 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cnc1Cl ZINC000390295205 601575953 /nfs/dbraw/zinc/57/59/53/601575953.db2.gz QKMUZTZXJJJTQN-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML O=C([O-])c1ccc(COC(=O)c2c([O-])cc(F)cc2F)cc1F ZINC000833316251 601726381 /nfs/dbraw/zinc/72/63/81/601726381.db2.gz XELXSYMWGXSGSL-UHFFFAOYSA-N -2 1 326.226 2.865 20 0 EFADML Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1C ZINC000832871983 601783281 /nfs/dbraw/zinc/78/32/81/601783281.db2.gz IRRHDDVFTZASQS-UHFFFAOYSA-N -2 1 336.413 2.758 20 0 EFADML Cn1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000833052566 601783661 /nfs/dbraw/zinc/78/36/61/601783661.db2.gz ARGYZTCGJDTTKG-UHFFFAOYSA-N -2 1 336.413 2.822 20 0 EFADML Cn1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1C(=O)[O-] ZINC000833052588 601784916 /nfs/dbraw/zinc/78/49/16/601784916.db2.gz BWBMJLWVWORUBC-UHFFFAOYSA-N -2 1 336.413 2.822 20 0 EFADML O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccc1F ZINC000833165638 601821196 /nfs/dbraw/zinc/82/11/96/601821196.db2.gz BEZJJRWBICVHIL-CYBMUJFWSA-N -2 1 341.260 2.999 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000080307691 601829989 /nfs/dbraw/zinc/82/99/89/601829989.db2.gz NYTAYAYSRYUMAM-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)cc(F)c1F ZINC000080307745 601830107 /nfs/dbraw/zinc/83/01/07/601830107.db2.gz NIQPNICWSHXGFT-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)[nH]n1 ZINC000829216702 601862049 /nfs/dbraw/zinc/86/20/49/601862049.db2.gz SGBLWWTVPDLPCN-JTQLQIEISA-N -2 1 337.401 2.812 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1 ZINC000833323315 602308531 /nfs/dbraw/zinc/30/85/31/602308531.db2.gz BNCWPBPUMITBJU-UHFFFAOYSA-N -2 1 335.385 2.566 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)o1 ZINC000833323584 602308797 /nfs/dbraw/zinc/30/87/97/602308797.db2.gz OYZAYHDOZDHABG-UHFFFAOYSA-N -2 1 339.373 2.549 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c1 ZINC000833333691 602309207 /nfs/dbraw/zinc/30/92/07/602309207.db2.gz FROYGPOVUQSVAB-UHFFFAOYSA-N -2 1 349.412 2.956 20 0 EFADML O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212510848 1267767196 /nfs/dbraw/zinc/76/71/96/1267767196.db2.gz FUKXFFQFMKCLMU-UHFFFAOYSA-N -2 1 328.256 2.589 20 0 EFADML Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000793357127 1279563825 /nfs/dbraw/zinc/56/38/25/1279563825.db2.gz JEFQUEFLTDAUSQ-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML COc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccc1C(=O)[O-] ZINC001174684700 1287113204 /nfs/dbraw/zinc/11/32/04/1287113204.db2.gz VZWUJZZIACJBGF-UHFFFAOYSA-N -2 1 327.292 2.949 20 0 EFADML Cc1nc2ccc(F)cn2c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238234 1287910690 /nfs/dbraw/zinc/91/06/90/1287910690.db2.gz POVRWUBFCBMRLF-UHFFFAOYSA-N -2 1 329.287 2.922 20 0 EFADML CC(C)C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])c1ccccn1 ZINC001180177054 1289428537 /nfs/dbraw/zinc/42/85/37/1289428537.db2.gz YYIUYJCRVXHXIQ-SNVBAGLBSA-N -2 1 336.285 2.640 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCC3=O)cc1C(=O)[O-] ZINC001184695888 1290494234 /nfs/dbraw/zinc/49/42/34/1290494234.db2.gz LWHUQFSXJAFXDP-UHFFFAOYSA-N -2 1 345.376 2.623 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1COC2 ZINC001185913985 1290791225 /nfs/dbraw/zinc/79/12/25/1290791225.db2.gz ICOQIAHELCWCCF-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186144440 1290877232 /nfs/dbraw/zinc/87/72/32/1290877232.db2.gz UAMGQNDKYLWWMJ-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC001188282572 1291365680 /nfs/dbraw/zinc/36/56/80/1291365680.db2.gz QEJWGRJRICGEOY-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML CCCCCCNC(=O)NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001191990446 1292732354 /nfs/dbraw/zinc/73/23/54/1292732354.db2.gz YSYJHRSDBFYNCZ-UHFFFAOYSA-N -2 1 340.360 2.539 20 0 EFADML Cc1c(O)cccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192140845 1292807572 /nfs/dbraw/zinc/80/75/72/1292807572.db2.gz KTLKAHLPWZZNEC-UHFFFAOYSA-N -2 1 335.381 2.519 20 0 EFADML CCCCCOC(=O)NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001193782963 1293428071 /nfs/dbraw/zinc/42/80/71/1293428071.db2.gz LNTVQKYUCZBKID-UHFFFAOYSA-N -2 1 327.317 2.576 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2)cc(C(=O)[O-])c1F ZINC000132961565 1293737153 /nfs/dbraw/zinc/73/71/53/1293737153.db2.gz DQMICCRMOQFAMF-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)Nc2ccc([S-])cc2)c(F)cc1F ZINC001195233961 1293843095 /nfs/dbraw/zinc/84/30/95/1293843095.db2.gz CDRMSYRYNGAVJO-UHFFFAOYSA-N -2 1 345.348 2.753 20 0 EFADML CSc1nc(NC(=O)c2cc(Cl)c(F)cc2[O-])cc(=O)[n-]1 ZINC001196459536 1294260075 /nfs/dbraw/zinc/26/00/75/1294260075.db2.gz PTZVSQZBMFSJLV-UHFFFAOYSA-N -2 1 329.740 2.655 20 0 EFADML COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccccc1[S-] ZINC001197030120 1294445012 /nfs/dbraw/zinc/44/50/12/1294445012.db2.gz WOGQEGSZTWUECT-UHFFFAOYSA-N -2 1 337.422 2.871 20 0 EFADML CCn1ncc2cc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])ccc21 ZINC001198782019 1295228578 /nfs/dbraw/zinc/22/85/78/1295228578.db2.gz ASLZIKBCVCITLV-UHFFFAOYSA-N -2 1 345.380 2.555 20 0 EFADML CC(C)Oc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198778187 1295248650 /nfs/dbraw/zinc/24/86/50/1295248650.db2.gz CBGKEGTVABLOQX-UHFFFAOYSA-N -2 1 335.381 2.973 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)Nc1cc([O-])c(Cl)cc1F ZINC001198778577 1295249187 /nfs/dbraw/zinc/24/91/87/1295249187.db2.gz HMJIQGDJTFFYHU-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198779278 1295249354 /nfs/dbraw/zinc/24/93/54/1295249354.db2.gz NLQPCGJLAZTIFY-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1C(=O)[O-] ZINC000090164060 1301187626 /nfs/dbraw/zinc/18/76/26/1301187626.db2.gz HLHTYDLWVJUULG-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCC(=O)[O-] ZINC000016905301 1304067869 /nfs/dbraw/zinc/06/78/69/1304067869.db2.gz UAMOZQHIUQAQCF-YRNVUSSQSA-N -2 1 339.394 2.878 20 0 EFADML CN1CCN(c2ccc(-c3c(C(=O)[O-])cccc3C(=O)[O-])cc2)CC1 ZINC001240851577 1314077767 /nfs/dbraw/zinc/07/77/67/1314077767.db2.gz MWIDRLFAKZNASG-UHFFFAOYSA-N -2 1 340.379 2.502 20 0 EFADML COC(=O)c1nc2ccc(-c3cccc(C(=O)[O-])c3OC)cc2[n-]1 ZINC001242922242 1314245457 /nfs/dbraw/zinc/24/54/57/1314245457.db2.gz DTUDOYYIVRKVSE-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML COC(=O)c1nc2cc(-c3cccc(C(=O)[O-])c3OC)ccc2[n-]1 ZINC001242922242 1314245460 /nfs/dbraw/zinc/24/54/60/1314245460.db2.gz DTUDOYYIVRKVSE-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML O=C([O-])c1cccnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000900987871 1309125069 /nfs/dbraw/zinc/12/50/69/1309125069.db2.gz HLRDRQJUUPPXFK-UHFFFAOYSA-N -2 1 326.352 2.585 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(C(=O)[O-])c2F)c1 ZINC001210240962 1314300253 /nfs/dbraw/zinc/30/02/53/1314300253.db2.gz OBLITDMTHSPEGM-UHFFFAOYSA-N -2 1 339.344 2.767 20 0 EFADML CC1(C)CCC[C@@H](CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)O1 ZINC000901596774 1310725033 /nfs/dbraw/zinc/72/50/33/1310725033.db2.gz YXBRLIRWXMSFAI-NSHDSACASA-N -2 1 345.392 2.613 20 0 EFADML CN(C)c1nc(Nc2cc(Cl)c(O)cc2F)c(N=O)c(=O)[n-]1 ZINC001250020431 1315167724 /nfs/dbraw/zinc/16/77/24/1315167724.db2.gz VJIHQKHNQVCCGU-UHFFFAOYSA-N -2 1 327.703 2.888 20 0 EFADML Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc2o1 ZINC001255223094 1315793637 /nfs/dbraw/zinc/79/36/37/1315793637.db2.gz DNWHUQDGLZNLCI-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML COC(=O)c1ccc([O-])c([N-]S(=O)(=O)CC2CCCCC2)c1 ZINC001259618264 1316262896 /nfs/dbraw/zinc/26/28/96/1316262896.db2.gz GJPKVMUVNHFOSM-UHFFFAOYSA-N -2 1 327.402 2.501 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)nc(Cl)c2)c1 ZINC001260183255 1316320834 /nfs/dbraw/zinc/32/08/34/1316320834.db2.gz GQMBKBLNXONSPS-UHFFFAOYSA-N -2 1 347.179 2.887 20 0 EFADML CCn1cc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2n1 ZINC001260189473 1316321286 /nfs/dbraw/zinc/32/12/86/1316321286.db2.gz DBLSCVLPUBQBDG-UHFFFAOYSA-N -2 1 345.380 2.555 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2CCCO3)c1 ZINC001260190910 1316321789 /nfs/dbraw/zinc/32/17/89/1316321789.db2.gz MHRUMYYPSOVGGZ-UHFFFAOYSA-N -2 1 333.365 2.511 20 0 EFADML CCn1ncc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc21 ZINC001260190143 1316321882 /nfs/dbraw/zinc/32/18/82/1316321882.db2.gz CZKLWKFMLPBUOD-UHFFFAOYSA-N -2 1 345.380 2.555 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)c1 ZINC001260190411 1316321915 /nfs/dbraw/zinc/32/19/15/1316321915.db2.gz JXMMEENCUSNDSL-UHFFFAOYSA-N -2 1 345.376 2.705 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc(F)c1F ZINC001260190860 1316321927 /nfs/dbraw/zinc/32/19/27/1316321927.db2.gz JTFVQHBMBUHDOZ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ccncc3c2)cc1 ZINC001260227599 1316324239 /nfs/dbraw/zinc/32/42/39/1316324239.db2.gz FIRJLQJPKIOQJL-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML Cc1ccc(-n2[n-]c(C(=O)Nc3cc([O-])c(F)cc3F)cc2=O)cc1 ZINC001298972633 1323653133 /nfs/dbraw/zinc/65/31/33/1323653133.db2.gz HABXBDGKSMBLNC-UHFFFAOYSA-N -2 1 345.305 2.710 20 0 EFADML Cc1cc(C(=O)N[C@@H](C)C2CCCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362859628 1336757057 /nfs/dbraw/zinc/75/70/57/1336757057.db2.gz RKPOQGFXCGZFBL-NSHDSACASA-N -2 1 344.415 2.833 20 0 EFADML Cc1ccc2oc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])cc2c1 ZINC000822283750 1428770800 /nfs/dbraw/zinc/77/08/00/1428770800.db2.gz BZAMEAHRZJENKK-UHFFFAOYSA-N -2 1 335.323 2.879 20 0 EFADML Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1Cl ZINC000822226530 1429412944 /nfs/dbraw/zinc/41/29/44/1429412944.db2.gz WZCUTVFOJFYJLM-UHFFFAOYSA-N -2 1 329.747 2.786 20 0 EFADML CC(=O)[N-]c1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735497569 1424474653 /nfs/dbraw/zinc/47/46/53/1424474653.db2.gz RJKWIBZLJSOHQS-ZETCQYMHSA-N -2 1 347.429 2.530 20 0 EFADML CC(C)(CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1 ZINC000819976145 1427801141 /nfs/dbraw/zinc/80/11/41/1427801141.db2.gz OFWNWCOSPNOHPU-UHFFFAOYSA-N -2 1 337.383 2.879 20 0 EFADML C[C@]1(C(=O)[N-]c2ncc(-c3nn[n-]n3)s2)CCCc2ccccc21 ZINC000820577407 1427970823 /nfs/dbraw/zinc/97/08/23/1427970823.db2.gz PTBOJROAZJXPCN-INIZCTEOSA-N -2 1 340.412 2.556 20 0 EFADML O=C(CCc1ccccc1Cl)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822983144 1430106378 /nfs/dbraw/zinc/10/63/78/1430106378.db2.gz LEHGKHLWSXPPCK-UHFFFAOYSA-N -2 1 334.792 2.548 20 0 EFADML CCCc1cnc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000825348576 1441621860 /nfs/dbraw/zinc/62/18/60/1441621860.db2.gz QOMCXSIALZNGTI-HJWRWDBZSA-N -2 1 340.412 2.928 20 0 EFADML CCc1cccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000825723226 1441734890 /nfs/dbraw/zinc/73/48/90/1441734890.db2.gz UXXWUAALJVTMJX-UHFFFAOYSA-N -2 1 343.412 2.538 20 0 EFADML Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])ccc1Cl ZINC000822175899 1441963829 /nfs/dbraw/zinc/96/38/29/1441963829.db2.gz BFSIUQKFEZOGNJ-UHFFFAOYSA-N -2 1 329.747 2.786 20 0 EFADML CC(C)Oc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000824334492 1442051940 /nfs/dbraw/zinc/05/19/40/1442051940.db2.gz VRHPSDWHPNMEIE-UHFFFAOYSA-N -2 1 339.355 2.612 20 0 EFADML O=C(CCc1c[nH]c2ccccc12)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822974319 1442054824 /nfs/dbraw/zinc/05/48/24/1442054824.db2.gz GYQNDBGGNGZINC-UHFFFAOYSA-N -2 1 348.366 2.625 20 0 EFADML Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826307564 1443370090 /nfs/dbraw/zinc/37/00/90/1443370090.db2.gz MZKNFGCPKBFYSK-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000826461455 1443905719 /nfs/dbraw/zinc/90/57/19/1443905719.db2.gz VSIYRRXGCVFNOL-SXUARNTMSA-N -2 1 343.343 2.731 20 0 EFADML C[C@H](NC(=O)c1cc(Cl)ccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC000820392592 1446185295 /nfs/dbraw/zinc/18/52/95/1446185295.db2.gz WRQWBWREGRHCGS-VIFPVBQESA-N -2 1 343.774 2.717 20 0 EFADML C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820392592 1446185300 /nfs/dbraw/zinc/18/53/00/1446185300.db2.gz WRQWBWREGRHCGS-VIFPVBQESA-N -2 1 343.774 2.717 20 0 EFADML C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820392592 1446185306 /nfs/dbraw/zinc/18/53/06/1446185306.db2.gz WRQWBWREGRHCGS-VIFPVBQESA-N -2 1 343.774 2.717 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1csc2c1CCCC2 ZINC000823294895 1449774789 /nfs/dbraw/zinc/77/47/89/1449774789.db2.gz WOPCKYSDALVMRB-UHFFFAOYSA-N -2 1 341.396 2.765 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc2c(c1)CCCC2 ZINC000823294617 1449947538 /nfs/dbraw/zinc/94/75/38/1449947538.db2.gz KJJUDXZEHQXMJF-UHFFFAOYSA-N -2 1 335.367 2.703 20 0 EFADML C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccc(F)c1 ZINC000820225996 1450218188 /nfs/dbraw/zinc/21/81/88/1450218188.db2.gz RLBDCVSULVSSKY-JTQLQIEISA-N -2 1 341.346 2.844 20 0 EFADML Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000314933422 717560393 /nfs/dbraw/zinc/56/03/93/717560393.db2.gz MCSHOOWQPLOJIV-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML CCOc1cc(C(=O)NC(CC)(CC)C(=O)[O-])cc(Cl)c1[O-] ZINC000909613974 724600201 /nfs/dbraw/zinc/60/02/01/724600201.db2.gz BDDJLZFNSAUQIX-UHFFFAOYSA-N -2 1 329.780 2.818 20 0 EFADML O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000320634926 724262421 /nfs/dbraw/zinc/26/24/21/724262421.db2.gz UFYUOZRGSLPVMH-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML COc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)cc(Cl)c1[O-] ZINC000908597220 727222338 /nfs/dbraw/zinc/22/23/38/727222338.db2.gz HAWPCCMLJYBRMK-UHFFFAOYSA-N -2 1 327.764 2.572 20 0 EFADML COc1cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc(Cl)c1[O-] ZINC000909286212 727359232 /nfs/dbraw/zinc/35/92/32/727359232.db2.gz AWKTWOUGKXBJSG-JTQLQIEISA-N -2 1 329.780 2.531 20 0 EFADML COc1cc(C(=O)NC2(CC(=O)[O-])CCCC2)cc(Cl)c1[O-] ZINC000909705303 727365099 /nfs/dbraw/zinc/36/50/99/727365099.db2.gz KDAYEEWQLDXDPD-UHFFFAOYSA-N -2 1 327.764 2.572 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])cc(Cl)c1[O-] ZINC000909740955 727372134 /nfs/dbraw/zinc/37/21/34/727372134.db2.gz VGJZTUVEIZGQMG-SNVBAGLBSA-N -2 1 327.764 2.524 20 0 EFADML C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H](C(=O)[O-])C1 ZINC000909782427 727377173 /nfs/dbraw/zinc/37/71/73/727377173.db2.gz RYOXFUDEHYCZNM-KWQFWETISA-N -2 1 331.290 2.736 20 0 EFADML O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000910044637 727407874 /nfs/dbraw/zinc/40/78/74/727407874.db2.gz RCTISNCAEUSGSR-LLVKDONJSA-N -2 1 331.290 2.880 20 0 EFADML COc1cc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc(Cl)c1[O-] ZINC000910095488 727411664 /nfs/dbraw/zinc/41/16/64/727411664.db2.gz ZTDUANIKMAXIBX-CYBMUJFWSA-N -2 1 341.791 2.818 20 0 EFADML CCOc1cc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc(Cl)c1[O-] ZINC000910860327 727469043 /nfs/dbraw/zinc/46/90/43/727469043.db2.gz BRAIQXHOCJWHRT-MWLCHTKSSA-N -2 1 341.791 2.627 20 0 EFADML C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1 ZINC000060800417 728426388 /nfs/dbraw/zinc/42/63/88/728426388.db2.gz UPCUNWZKPRDUIG-UHFFFAOYSA-N -2 1 333.340 2.614 20 0 EFADML O=C([O-])CC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCCC1 ZINC001594979751 950976063 /nfs/dbraw/zinc/97/60/63/950976063.db2.gz DAFQKDRMHRCJOB-UHFFFAOYSA-N -2 1 325.792 2.882 20 0 EFADML C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001589274444 953448952 /nfs/dbraw/zinc/44/89/52/953448952.db2.gz FOIKRRCVPKDUOC-DTWKUNHWSA-N -2 1 331.290 2.594 20 0 EFADML CC(C)([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000040910578 957380940 /nfs/dbraw/zinc/38/09/40/957380940.db2.gz RJQDEBALSYEMQN-UHFFFAOYSA-N -2 1 346.619 2.788 20 0 EFADML CCC(CC)(NC(=O)c1ccc(Br)cc1[O-])C(=O)[O-] ZINC000094239729 958275976 /nfs/dbraw/zinc/27/59/76/958275976.db2.gz MAJUPHKURSITSH-UHFFFAOYSA-N -2 1 330.178 2.528 20 0 EFADML COCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000391435170 972336603 /nfs/dbraw/zinc/33/66/03/972336603.db2.gz OYHHORFSZOAUKG-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573625842 959538715 /nfs/dbraw/zinc/53/87/15/959538715.db2.gz VLDIPTZDVDXKRZ-JFUSQASVSA-N -2 1 325.792 2.911 20 0 EFADML C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573626165 959542007 /nfs/dbraw/zinc/54/20/07/959542007.db2.gz YFPYGIUCSDHNOK-DDTOSNHZSA-N -2 1 342.395 2.806 20 0 EFADML CC(C)(C)CC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(=O)[O-] ZINC001588650957 959766370 /nfs/dbraw/zinc/76/63/70/959766370.db2.gz SPYUWCZDMJNPGR-GFCCVEGCSA-N -2 1 327.808 2.984 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)cc1Cl ZINC000218600935 959789076 /nfs/dbraw/zinc/78/90/76/959789076.db2.gz CIIHQWGQTSAZMA-UHFFFAOYSA-N -2 1 347.179 2.887 20 0 EFADML CCC[C@](C)(NC(=O)c1cc(Br)ccc1[O-])C(=O)[O-] ZINC000223840963 959843684 /nfs/dbraw/zinc/84/36/84/959843684.db2.gz XIMYQEKEBSCDFF-ZDUSSCGKSA-N -2 1 330.178 2.528 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1Cl ZINC001198780022 960586806 /nfs/dbraw/zinc/58/68/06/960586806.db2.gz XVQLVQWDNVFDCQ-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML C[C@H]1C[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC[C@H]1C(=O)[O-] ZINC001331755341 961386047 /nfs/dbraw/zinc/38/60/47/961386047.db2.gz NRZPUWQPDYNRQE-WDEREUQCSA-N -2 1 341.367 2.624 20 0 EFADML O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1Cl ZINC001571216139 962498429 /nfs/dbraw/zinc/49/84/29/962498429.db2.gz GOHLADJOYPYFHG-LBPRGKRZSA-N -2 1 333.771 2.861 20 0 EFADML O=C([O-])CC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001574692219 962645872 /nfs/dbraw/zinc/64/58/72/962645872.db2.gz SVMRFTBOIVACHP-NSHDSACASA-N -2 1 340.807 2.832 20 0 EFADML COc1cc(C)c(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c(C)c1 ZINC000314200778 963723713 /nfs/dbraw/zinc/72/37/13/963723713.db2.gz IOYCVKXBXQXONM-UHFFFAOYSA-N -2 1 341.410 2.873 20 0 EFADML O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000315272993 963873124 /nfs/dbraw/zinc/87/31/24/963873124.db2.gz SMZDSKMSNYGOFC-GFCCVEGCSA-N -2 1 337.681 2.525 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c(C)s1 ZINC000315932240 963954667 /nfs/dbraw/zinc/95/46/67/963954667.db2.gz XMFNVALUGUWYNF-UHFFFAOYSA-N -2 1 341.410 2.629 20 0 EFADML O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000316845289 964063142 /nfs/dbraw/zinc/06/31/42/964063142.db2.gz TYHACCIJADCJIS-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)sc1C(=O)[O-] ZINC000320652437 970692133 /nfs/dbraw/zinc/69/21/33/970692133.db2.gz KIVIVBYLVRBKQG-UHFFFAOYSA-N -2 1 335.385 2.934 20 0 EFADML O=C([O-])[C@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC=CCC1 ZINC001605934245 972862964 /nfs/dbraw/zinc/86/29/64/972862964.db2.gz CLUNFCPQUKHYDK-QGZVFWFLSA-N -2 1 327.340 2.532 20 0 EFADML O=C([O-])c1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC001606478704 973958220 /nfs/dbraw/zinc/95/82/20/973958220.db2.gz RDTKHGZGSXZBFJ-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML CCOc1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC001603856723 974355931 /nfs/dbraw/zinc/35/59/31/974355931.db2.gz DBLSPVITXBWNQA-LDYMZIIASA-N -2 1 327.764 2.522 20 0 EFADML CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC001591761501 975851241 /nfs/dbraw/zinc/85/12/41/975851241.db2.gz NCEDWIBTGJVPHH-UHFFFAOYSA-N -2 1 343.335 2.699 20 0 EFADML C[C@](CC(=O)[O-])(NC(=O)c1c([O-])cccc1Cl)c1ccccn1 ZINC001592303423 977656993 /nfs/dbraw/zinc/65/69/93/977656993.db2.gz JYHBIMUSWHKIOQ-MRXNPFEDSA-N -2 1 334.759 2.561 20 0 EFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000747615725 978686756 /nfs/dbraw/zinc/68/67/56/978686756.db2.gz AVGQURHFYWFWNH-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC[C@@](CNC(=O)c1ccc(F)c([O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595160603 979686800 /nfs/dbraw/zinc/68/68/00/979686800.db2.gz NUECUAMIJGXXBV-SFHVURJKSA-N -2 1 331.343 2.694 20 0 EFADML CC[C@H](OC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C(=O)[O-] ZINC001595354386 980691455 /nfs/dbraw/zinc/69/14/55/980691455.db2.gz VEXQORKGEVFOKK-AWEZNQCLSA-N -2 1 332.356 2.721 20 0 EFADML CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001595435760 981066025 /nfs/dbraw/zinc/06/60/25/981066025.db2.gz MPHNTJUBYODXIQ-MWLCHTKSSA-N -2 1 347.383 2.910 20 0 EFADML CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001595455656 981124492 /nfs/dbraw/zinc/12/44/92/981124492.db2.gz NKGXHOAKTSTTLL-NXEZZACHSA-N -2 1 347.383 2.768 20 0 EFADML CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001595455658 981124565 /nfs/dbraw/zinc/12/45/65/981124565.db2.gz NKGXHOAKTSTTLL-UWVGGRQHSA-N -2 1 347.383 2.768 20 0 EFADML CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(=O)[O-] ZINC001595686515 982175208 /nfs/dbraw/zinc/17/52/08/982175208.db2.gz BTKOWBSDSQQKRU-MRVPVSSYSA-N -2 1 325.333 2.529 20 0 EFADML CCCN(C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC001595824361 982702603 /nfs/dbraw/zinc/70/26/03/982702603.db2.gz DVHSVTASKJRGCN-NSHDSACASA-N -2 1 345.351 2.790 20 0 EFADML C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001588661748 983787665 /nfs/dbraw/zinc/78/76/65/983787665.db2.gz PQUBEXHDYSVUSM-UHFFFAOYSA-N -2 1 344.298 2.606 20 0 EFADML CCC(CC)(CNC(=O)c1ccc2ccc(O)cc2c1[O-])C(=O)[O-] ZINC001589500459 987102000 /nfs/dbraw/zinc/10/20/00/987102000.db2.gz RKLBMXVFWGUUAG-UHFFFAOYSA-N -2 1 331.368 2.872 20 0 EFADML C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC001589521280 987165359 /nfs/dbraw/zinc/16/53/59/987165359.db2.gz MTJWFYDLGWTGMO-SNVBAGLBSA-N -2 1 337.335 2.776 20 0 EFADML CC(C)(C)C1CC([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001589726842 987915942 /nfs/dbraw/zinc/91/59/42/987915942.db2.gz RPMFJIAWYWZBEF-UHFFFAOYSA-N -2 1 347.383 2.766 20 0 EFADML CC(C)(C)C[C@@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)[O-] ZINC001589751307 988050922 /nfs/dbraw/zinc/05/09/22/988050922.db2.gz MVKALWHPQIKDEM-LLVKDONJSA-N -2 1 334.347 2.699 20 0 EFADML CSc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccn1 ZINC001599810012 988317473 /nfs/dbraw/zinc/31/74/73/988317473.db2.gz ZXOMSHOYJROZBO-UHFFFAOYSA-N -2 1 338.410 2.611 20 0 EFADML CCc1nc(CNCc2ccc(C(=O)[O-])c(C)c2)ccc1C(=O)[O-] ZINC001597674301 988783247 /nfs/dbraw/zinc/78/32/47/988783247.db2.gz XOQACURBCJYOOJ-UHFFFAOYSA-N -2 1 328.368 2.639 20 0 EFADML CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC001597786178 989309260 /nfs/dbraw/zinc/30/92/60/989309260.db2.gz YBYGMUHPKTXOON-UHFFFAOYSA-N -2 1 349.286 2.758 20 0 EFADML COc1cnc([C@H]2CCCN2Cc2ccc(C)c(C(=O)[O-])c2)[n-]c1=O ZINC001599724061 991588377 /nfs/dbraw/zinc/58/83/77/991588377.db2.gz AIPMASKRPMRGIV-CQSZACIVSA-N -2 1 343.383 2.535 20 0 EFADML C[C@](NC(=O)c1cc(Cl)ccc1[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001593156985 993981130 /nfs/dbraw/zinc/98/11/30/993981130.db2.gz ZTNOTKWKVGYGKL-MRXNPFEDSA-N -2 1 337.734 2.915 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])sc2C)c(C)c1 ZINC001599616881 994026714 /nfs/dbraw/zinc/02/67/14/994026714.db2.gz VBDBVERUCFIOQU-UHFFFAOYSA-N -2 1 341.410 2.873 20 0 EFADML C[C@H](Oc1ccc(NC(=O)c2cccc([O-])c2F)cc1F)C(=O)[O-] ZINC001593634550 995926387 /nfs/dbraw/zinc/92/63/87/995926387.db2.gz UMWFQQGKPANCCR-QMMMGPOBSA-N -2 1 337.278 2.775 20 0 EFADML COCc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc(C(=O)[O-])c1 ZINC001599289333 997036798 /nfs/dbraw/zinc/03/67/98/997036798.db2.gz JXKRAODPXYEJRQ-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1cccc(CCC(=O)[O-])c1 ZINC001599296427 997151580 /nfs/dbraw/zinc/15/15/80/997151580.db2.gz LEOAYFRMMAZQGF-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML COc1cc(F)cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC001599426017 997676652 /nfs/dbraw/zinc/67/66/52/997676652.db2.gz VTFIWGSXHBQYST-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML C[C@@]1(NC(=O)c2c([O-])cnc3c(F)cccc32)CCCC[C@H]1C(=O)[O-] ZINC001594055758 997789865 /nfs/dbraw/zinc/78/98/65/997789865.db2.gz IFULWZJBVDGLKV-BBATYDOGSA-N -2 1 346.358 2.843 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)ccc1C(=O)[O-] ZINC001599460019 998256171 /nfs/dbraw/zinc/25/61/71/998256171.db2.gz RYXONONTFJYCDE-UHFFFAOYSA-N -2 1 346.364 2.676 20 0 EFADML COCCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(F)ccc1[O-] ZINC001599255803 998305880 /nfs/dbraw/zinc/30/58/80/998305880.db2.gz HSYDVCRVYXXPGN-UHFFFAOYSA-N -2 1 349.314 2.507 20 0 EFADML C[C@H]1CC[C@@]([N-]C(=O)C(F)(F)C(F)F)(C(=O)[O-])c2ccccc21 ZINC001594324511 999252096 /nfs/dbraw/zinc/25/20/96/999252096.db2.gz ZSTWQPQBDROXED-RTHLEPHNSA-N -2 1 333.281 2.880 20 0 EFADML C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)[C@@H]1C ZINC001594348614 999322338 /nfs/dbraw/zinc/32/23/38/999322338.db2.gz RLPKIJSCNSAKRK-OPRDCNLKSA-N -2 1 349.836 2.982 20 0 EFADML C[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001594361873 999367681 /nfs/dbraw/zinc/36/76/81/999367681.db2.gz OBXMCOTZIOAORT-ISVAXAHUSA-N -2 1 335.809 2.878 20 0 EFADML CCNc1cc(C)ccc1NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001590745943 1093560336 /nfs/dbraw/zinc/56/03/36/1093560336.db2.gz AKJUITWUOVVLMZ-UHFFFAOYSA-N -2 1 338.371 2.565 20 0 EFADML C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001594343751 1094425115 /nfs/dbraw/zinc/42/51/15/1094425115.db2.gz PYINMXRQVJEYRG-HTQZYQBOSA-N -2 1 335.809 2.734 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC001600184934 1094852592 /nfs/dbraw/zinc/85/25/92/1094852592.db2.gz CABPVTJMRVVUNK-MRXNPFEDSA-N -2 1 341.363 2.849 20 0 EFADML Cc1ccc(-c2nc(C(=O)[N-]c3nc(C(=O)[O-])ns3)cs2)o1 ZINC001600317718 1094966828 /nfs/dbraw/zinc/96/68/28/1094966828.db2.gz SIDTUUYAAGEUTL-UHFFFAOYSA-N -2 1 336.354 2.514 20 0 EFADML Cc1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)nc1C(=O)[O-] ZINC001600435613 1095064416 /nfs/dbraw/zinc/06/44/16/1095064416.db2.gz APMBPZXTKHHDEG-UHFFFAOYSA-N -2 1 340.379 2.893 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(C(=O)[O-])c1 ZINC001600483285 1095100526 /nfs/dbraw/zinc/10/05/26/1095100526.db2.gz WAWVOUDMIPVRFV-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)[nH]c2c1 ZINC001600489469 1095105791 /nfs/dbraw/zinc/10/57/91/1095105791.db2.gz XYHFZRFWRCTIQL-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1cnc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c([O-])c1 ZINC001600615960 1095213697 /nfs/dbraw/zinc/21/36/97/1095213697.db2.gz DUIUNXVOKZLCRS-MRXNPFEDSA-N -2 1 336.347 2.805 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001600687992 1095259805 /nfs/dbraw/zinc/25/98/05/1095259805.db2.gz MTFRQXMFVITYSZ-ZDUSSCGKSA-N -2 1 349.431 2.625 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1cc(F)ccc1F ZINC001601397730 1095654398 /nfs/dbraw/zinc/65/43/98/1095654398.db2.gz VSBVRSKOJKOOEQ-ZDUSSCGKSA-N -2 1 341.697 2.880 20 0 EFADML O=C([O-])[C@@H](CS(=O)(=O)[N-]c1cc(F)cc(F)c1)c1ccccc1 ZINC001601656396 1095788851 /nfs/dbraw/zinc/78/88/51/1095788851.db2.gz HOBJFVPUMMDKDW-AWEZNQCLSA-N -2 1 341.335 2.575 20 0 EFADML O=C([O-])C1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC2(CCC2)C1 ZINC001601704163 1095845036 /nfs/dbraw/zinc/84/50/36/1095845036.db2.gz LICNAWLEHDEVSO-UHFFFAOYSA-N -2 1 341.367 2.756 20 0 EFADML O=C([O-])[C@]1(C(=O)Nc2cc(F)cc(F)c2[O-])C[C@@H]1c1ccccc1 ZINC001601705136 1095847871 /nfs/dbraw/zinc/84/78/71/1095847871.db2.gz ZILHFDPPRSWQKW-PIGZYNQJSA-N -2 1 333.290 2.867 20 0 EFADML O=C([O-])C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(Cl)c1 ZINC001601897061 1095962632 /nfs/dbraw/zinc/96/26/32/1095962632.db2.gz SPRLXKBWSCMDEB-CQSZACIVSA-N -2 1 347.754 2.561 20 0 EFADML O=C([O-])CCSc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC001602032464 1096027161 /nfs/dbraw/zinc/02/71/61/1096027161.db2.gz WIRHZIGHCDRTAF-UHFFFAOYSA-N -2 1 327.365 2.552 20 0 EFADML O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)O1 ZINC001602177489 1096103897 /nfs/dbraw/zinc/10/38/97/1096103897.db2.gz GGWSOFURYPZYSC-OLZOCXBDSA-N -2 1 335.743 2.770 20 0 EFADML O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC001602277703 1096156300 /nfs/dbraw/zinc/15/63/00/1096156300.db2.gz ZGAVZCFBGNGSRQ-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])c1cccc2c1CN(C(=O)Cc1ccc([O-])c(Cl)c1)CC2 ZINC001602458614 1096256006 /nfs/dbraw/zinc/25/60/06/1096256006.db2.gz SLAMBAHDEMIFCO-UHFFFAOYSA-N -2 1 345.782 2.871 20 0 EFADML O=C([O-])c1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC001602535418 1096287184 /nfs/dbraw/zinc/28/71/84/1096287184.db2.gz CMRLPIMTRMBEID-UHFFFAOYSA-N -2 1 347.179 2.887 20 0 EFADML O=C([O-])c1occc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC001602590554 1096309780 /nfs/dbraw/zinc/30/97/80/1096309780.db2.gz YJJHIYAYEHDWFT-UHFFFAOYSA-N -2 1 336.369 2.648 20 0 EFADML O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC[C@@H]3CC(=O)[O-])c2)o1 ZINC001602665531 1096342028 /nfs/dbraw/zinc/34/20/28/1096342028.db2.gz HEROBIACIREKJG-GFCCVEGCSA-N -2 1 343.335 2.544 20 0 EFADML C[C@H](CN(Cc1ccccc1)C(=O)c1ccc([O-])cc1F)C(=O)[O-] ZINC001604161932 1096758408 /nfs/dbraw/zinc/75/84/08/1096758408.db2.gz URWZRQMOZSQLKG-GFCCVEGCSA-N -2 1 331.343 2.894 20 0 EFADML C[C@]1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCC[C@H]1C(=O)[O-] ZINC001604597101 1096911298 /nfs/dbraw/zinc/91/12/98/1096911298.db2.gz YTYVEZIHKZQBDX-SDBXPKJASA-N -2 1 337.344 2.529 20 0 EFADML C[C@@]1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCC[C@@H]1C(=O)[O-] ZINC001604597098 1096911519 /nfs/dbraw/zinc/91/15/19/1096911519.db2.gz YTYVEZIHKZQBDX-AMIZOPFISA-N -2 1 337.344 2.529 20 0 EFADML C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CC1 ZINC001604714792 1096939298 /nfs/dbraw/zinc/93/92/98/1096939298.db2.gz BDFYZIKMWSNGRL-ONGXEEELSA-N -2 1 347.383 2.910 20 0 EFADML CCCc1cc(=O)[n-]c(SCC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001605373460 1097108647 /nfs/dbraw/zinc/10/86/47/1097108647.db2.gz XLSBFGDGZUXRNA-UHFFFAOYSA-N -2 1 332.381 2.808 20 0 EFADML CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)C(F)(F)F ZINC001605763474 1097218911 /nfs/dbraw/zinc/21/89/11/1097218911.db2.gz WAMXBPJNDYFUHN-VIFPVBQESA-N -2 1 345.726 2.657 20 0 EFADML CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)s1 ZINC001605789490 1097225386 /nfs/dbraw/zinc/22/53/86/1097225386.db2.gz YTOHZNTUYOSMGR-SNVBAGLBSA-N -2 1 349.474 2.812 20 0 EFADML CCc1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c([O-])c1 ZINC001605803979 1097232236 /nfs/dbraw/zinc/23/22/36/1097232236.db2.gz FXWJXXADNZAPDJ-UHFFFAOYSA-N -2 1 329.352 2.695 20 0 EFADML CCc1nc(SCCOc2ccccc2C(=O)[O-])[n-]c(=O)c1C ZINC001605857716 1097255779 /nfs/dbraw/zinc/25/57/79/1097255779.db2.gz RNNPDYWCYDTXIA-UHFFFAOYSA-N -2 1 334.397 2.922 20 0 EFADML CCc1nc(SCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)[n-]c(=O)c1C ZINC001605857539 1097255947 /nfs/dbraw/zinc/25/59/47/1097255947.db2.gz NJGDPWDNGFJZBP-UHFFFAOYSA-N -2 1 349.412 2.671 20 0 EFADML Cc1c(Cl)ncnc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167931640 1097315664 /nfs/dbraw/zinc/31/56/64/1097315664.db2.gz FLUVPFABSHJIOW-UHFFFAOYSA-N -2 1 339.719 2.523 20 0 EFADML CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1ccc2ccccc2c1[O-] ZINC001606155000 1097331600 /nfs/dbraw/zinc/33/16/00/1097331600.db2.gz PEZHWTOPTWYMHD-UHFFFAOYSA-N -2 1 336.347 2.911 20 0 EFADML O=P([O-])([O-])C1(Nc2cnc3cc[nH]c3c2)Cc2ccccc2C1 ZINC001167933971 1097333606 /nfs/dbraw/zinc/33/36/06/1097333606.db2.gz FKLKDMXMCWVUNM-UHFFFAOYSA-N -2 1 329.296 2.648 20 0 EFADML O=P([O-])([O-])C1(Nc2cc3[nH]cnc3c(F)c2)Cc2ccccc2C1 ZINC001167940473 1097399257 /nfs/dbraw/zinc/39/92/57/1097399257.db2.gz XFLCCXOOPZZWSI-UHFFFAOYSA-N -2 1 347.286 2.787 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC001606966042 1097483696 /nfs/dbraw/zinc/48/36/96/1097483696.db2.gz OAHNGVHBZGQFGN-LBPRGKRZSA-N -2 1 349.408 2.822 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1cccc([C@H](C)C(=O)[O-])c1 ZINC001606968520 1097483852 /nfs/dbraw/zinc/48/38/52/1097483852.db2.gz IVRJXGRCQPOZQO-LBPRGKRZSA-N -2 1 349.408 2.822 20 0 EFADML COc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c([O-])c1 ZINC001607207771 1097561163 /nfs/dbraw/zinc/56/11/63/1097561163.db2.gz FSVPJRWFFUAXIV-UHFFFAOYSA-N -2 1 337.715 2.710 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC001607633995 1097683946 /nfs/dbraw/zinc/68/39/46/1097683946.db2.gz VKUZFSLNNGVZFE-OAHLLOKOSA-N -2 1 345.326 2.516 20 0 EFADML Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001607712369 1097706206 /nfs/dbraw/zinc/70/62/06/1097706206.db2.gz CRDDAPDZZBOWKO-UHFFFAOYSA-N -2 1 346.364 2.681 20 0 EFADML Cc1ccc(-n2cc([O-])c(C(=O)OCc3occc3C(=O)[O-])n2)cc1 ZINC001607720001 1097708499 /nfs/dbraw/zinc/70/84/99/1097708499.db2.gz RMDCOCZRJVODGQ-UHFFFAOYSA-N -2 1 342.307 2.535 20 0 EFADML Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC001607740234 1097716262 /nfs/dbraw/zinc/71/62/62/1097716262.db2.gz WZWVAVLZSJPTLY-SNVBAGLBSA-N -2 1 347.396 2.617 20 0 EFADML Cc1cccc(C[C@@H](CNC(=O)c2cc(F)ccc2[O-])C(=O)[O-])c1 ZINC001607850165 1097753099 /nfs/dbraw/zinc/75/30/99/1097753099.db2.gz WMUHJYONKAGAQW-ZDUSSCGKSA-N -2 1 331.343 2.513 20 0 EFADML Cc1csc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)c1Cl ZINC001607923979 1097778574 /nfs/dbraw/zinc/77/85/74/1097778574.db2.gz ODCAKUBJFYELNH-UHFFFAOYSA-N -2 1 331.806 2.831 20 0 EFADML O=C([O-])[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccsc1 ZINC001608359681 1097901679 /nfs/dbraw/zinc/90/16/79/1097901679.db2.gz BRRBWAHODIAYFA-ZDUSSCGKSA-N -2 1 325.773 2.592 20 0 EFADML O=C([O-])c1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cn1 ZINC001608508684 1097935199 /nfs/dbraw/zinc/93/51/99/1097935199.db2.gz ULCCREDQMIJRSU-UHFFFAOYSA-N -2 1 326.230 2.757 20 0 EFADML O=C([O-])c1cccc2nc(NC(=O)c3ncc4ccccc4c3[O-])[nH]c21 ZINC001608526868 1097941539 /nfs/dbraw/zinc/94/15/39/1097941539.db2.gz YUANFILGKAIBHK-UHFFFAOYSA-N -2 1 348.318 2.767 20 0 EFADML O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1c([O-])cccc1Cl ZINC001608653898 1097978215 /nfs/dbraw/zinc/97/82/15/1097978215.db2.gz UDSMNMUXLIDTOF-ZDUSSCGKSA-N -2 1 331.755 2.697 20 0 EFADML O=C([O-])C[C@@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)C1CC1 ZINC001608667284 1097983161 /nfs/dbraw/zinc/98/31/61/1097983161.db2.gz AAHAVWSVSOCPOK-JTQLQIEISA-N -2 1 348.786 2.825 20 0 EFADML O=C([O-])C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC001608667587 1097983642 /nfs/dbraw/zinc/98/36/42/1097983642.db2.gz MBNQGDXEKLXVQN-VIFPVBQESA-N -2 1 331.290 2.642 20 0 EFADML O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)CCCC1 ZINC001608680167 1097988846 /nfs/dbraw/zinc/98/88/46/1097988846.db2.gz NKDKYZPJJQAEHH-UHFFFAOYSA-N -2 1 349.811 2.793 20 0 EFADML O=C([O-])CC1(CNC(=O)c2ncc3ccccc3c2[O-])CCCC1 ZINC001608680219 1097988939 /nfs/dbraw/zinc/98/89/39/1097988939.db2.gz QUCVAAQGQWOSAL-UHFFFAOYSA-N -2 1 328.368 2.705 20 0 EFADML O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1F ZINC001608705776 1097995242 /nfs/dbraw/zinc/99/52/42/1097995242.db2.gz UGJXJBRCWSBKTF-CYBMUJFWSA-N -2 1 331.343 2.737 20 0 EFADML O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001608771502 1098016081 /nfs/dbraw/zinc/01/60/81/1098016081.db2.gz WJGNIOXQXOKCJA-GZMMTYOYSA-N -2 1 331.290 2.784 20 0 EFADML O=C([O-])c1cc(-c2csc(NC(=O)c3ccc([O-])cc3F)n2)c[nH]1 ZINC001608832932 1098037577 /nfs/dbraw/zinc/03/75/77/1098037577.db2.gz NBWWVHIGAQBSFY-UHFFFAOYSA-N -2 1 347.327 2.933 20 0 EFADML O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)C2=CCCCC2)c1O ZINC001608846272 1098043353 /nfs/dbraw/zinc/04/33/53/1098043353.db2.gz QXRUCMURKVJPRL-UHFFFAOYSA-N -2 1 331.777 2.943 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCC23CC3)c1F ZINC001608850267 1098044124 /nfs/dbraw/zinc/04/41/24/1098044124.db2.gz LCVHKLOEUQCPEW-VIFPVBQESA-N -2 1 345.367 2.522 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)c1F ZINC001608850504 1098045020 /nfs/dbraw/zinc/04/50/20/1098045020.db2.gz TWNVSYPAQHZPSF-JTQLQIEISA-N -2 1 345.367 2.688 20 0 EFADML O=C([O-])c1ccc2cc(CCNC(=O)c3cccc([O-])c3F)oc2c1 ZINC001608926693 1098076938 /nfs/dbraw/zinc/07/69/38/1098076938.db2.gz OQVWEIVMSWRTFX-UHFFFAOYSA-N -2 1 343.310 2.948 20 0 EFADML O=C([O-])c1cccc2c1CCN2C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001608941198 1098084353 /nfs/dbraw/zinc/08/43/53/1098084353.db2.gz ODRSCZUJLJWLMO-UHFFFAOYSA-N -2 1 331.755 2.876 20 0 EFADML O=C([O-])c1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC001608993473 1098103287 /nfs/dbraw/zinc/10/32/87/1098103287.db2.gz PMIBZYYULLRVHN-NSHDSACASA-N -2 1 347.364 2.731 20 0 EFADML O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccc3ccc(O)cc3c1[O-])C2 ZINC001609028798 1098117363 /nfs/dbraw/zinc/11/73/63/1098117363.db2.gz OTBARNUPZXKEEH-BUXKBTBVSA-N -2 1 341.363 2.578 20 0 EFADML CC(C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001609105451 1098146138 /nfs/dbraw/zinc/14/61/38/1098146138.db2.gz DGIKDWKAXYZJBW-UHFFFAOYSA-N -2 1 349.441 2.852 20 0 EFADML CC(C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001609105451 1098146141 /nfs/dbraw/zinc/14/61/41/1098146141.db2.gz DGIKDWKAXYZJBW-UHFFFAOYSA-N -2 1 349.441 2.852 20 0 EFADML CC(=O)c1ccc(C(=O)[N-]c2cccnc2SCCC(=O)[O-])o1 ZINC001609628921 1098409213 /nfs/dbraw/zinc/40/92/13/1098409213.db2.gz FLQZWCKHLFLKAV-UHFFFAOYSA-N -2 1 334.353 2.696 20 0 EFADML CC(=O)c1cc(F)c([N-]C(=O)c2cc(C(=O)[O-])co2)c(F)c1F ZINC001609628610 1098409574 /nfs/dbraw/zinc/40/95/74/1098409574.db2.gz KBBGGBRRFMITMG-UHFFFAOYSA-N -2 1 327.214 2.850 20 0 EFADML CC(C)(NC(=O)c1ccc2ccccc2c1[O-])c1nocc1C(=O)[O-] ZINC001609680185 1098425431 /nfs/dbraw/zinc/42/54/31/1098425431.db2.gz WCYBWGCXGPESSM-UHFFFAOYSA-N -2 1 340.335 2.897 20 0 EFADML CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(F)(F)F ZINC001609902945 1098489601 /nfs/dbraw/zinc/48/96/01/1098489601.db2.gz ZLSCFVGVORWKNK-LHLIQPBNSA-N -2 1 343.323 2.542 20 0 EFADML CC[C@@](NC(=O)c1cncc([O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609929227 1098497093 /nfs/dbraw/zinc/49/70/93/1098497093.db2.gz VWWHAAKRFGABHI-INIZCTEOSA-N -2 1 334.759 2.561 20 0 EFADML CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC001610077262 1098541852 /nfs/dbraw/zinc/54/18/52/1098541852.db2.gz KZTJDLVAKQKWQM-UHFFFAOYSA-N -2 1 331.296 2.619 20 0 EFADML COC(=O)c1c[n-]c(S[C@H](C(=O)[O-])c2ccccc2Cl)n1 ZINC001610197084 1098567668 /nfs/dbraw/zinc/56/76/68/1098567668.db2.gz XWEBOPAKYRQQTI-JTQLQIEISA-N -2 1 326.761 2.768 20 0 EFADML COc1cc(F)ccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001610295997 1098607194 /nfs/dbraw/zinc/60/71/94/1098607194.db2.gz GZNGEWADSFSJHN-UHFFFAOYSA-N -2 1 345.392 2.611 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC001610475893 1098698576 /nfs/dbraw/zinc/69/85/76/1098698576.db2.gz VSGRAFKBESLSNV-UHFFFAOYSA-N -2 1 348.302 2.841 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(C(=O)[O-])c1 ZINC001610513153 1098724486 /nfs/dbraw/zinc/72/44/86/1098724486.db2.gz HMXCHXUPPFIKKP-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)[nH]c2c1 ZINC001610515496 1098725483 /nfs/dbraw/zinc/72/54/83/1098725483.db2.gz VFYXGOSVYWJVIC-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001610526798 1098731971 /nfs/dbraw/zinc/73/19/71/1098731971.db2.gz YEOXFCKZUQGKTD-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML Cc1sc(Cl)nc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC001610592563 1098773546 /nfs/dbraw/zinc/77/35/46/1098773546.db2.gz UKFHSOIQGKIQEL-UHFFFAOYSA-N -2 1 346.821 2.616 20 0 EFADML O=C([O-])[C@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCCCC1 ZINC001610721717 1098848867 /nfs/dbraw/zinc/84/88/67/1098848867.db2.gz VKGQFTMTRQGKJZ-SNVBAGLBSA-N -2 1 337.850 2.713 20 0 EFADML O=C([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001610812104 1098906195 /nfs/dbraw/zinc/90/61/95/1098906195.db2.gz HCAYVEIYVBBGSY-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1cccc(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC001610843623 1098930530 /nfs/dbraw/zinc/93/05/30/1098930530.db2.gz APCCZEZKSWBLDB-UHFFFAOYSA-N -2 1 340.307 2.793 20 0 EFADML O=C([O-])c1coc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c1 ZINC001610868036 1098946020 /nfs/dbraw/zinc/94/60/20/1098946020.db2.gz REAOJSSDMFLEMF-UHFFFAOYSA-N -2 1 339.373 2.549 20 0 EFADML CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000424362774 282120287 /nfs/dbraw/zinc/12/02/87/282120287.db2.gz AWRKIZBUMRSNNR-UHFFFAOYSA-N -2 1 337.800 2.648 20 0 EFADML O=C([O-])CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000037461931 213147794 /nfs/dbraw/zinc/14/77/94/213147794.db2.gz JOOXHZZEXMLGDS-UHFFFAOYSA-N -2 1 346.619 2.790 20 0 EFADML CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000036838289 213122936 /nfs/dbraw/zinc/12/29/36/213122936.db2.gz JPLLJQQXQPIOPK-RXMQYKEDSA-N -2 1 332.230 2.587 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)c(C(=O)[O-])c1 ZINC000095432816 218374664 /nfs/dbraw/zinc/37/46/64/218374664.db2.gz MNBNIWSCXSAJQZ-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1F ZINC000339073873 304248368 /nfs/dbraw/zinc/24/83/68/304248368.db2.gz NMXBJDQFCZWPPB-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1nc(-c2ccc(N[C@@H](CC(C)C)C(=O)[O-])nc2)[n-]c(=O)c1C ZINC000263404887 141391536 /nfs/dbraw/zinc/39/15/36/141391536.db2.gz KFNDWEJOPPSTHP-ZDUSSCGKSA-N -2 1 330.388 2.772 20 0 EFADML CC[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccccc1 ZINC000344738569 142070270 /nfs/dbraw/zinc/07/02/70/142070270.db2.gz NSJMCEWYAIMQHU-GFCCVEGCSA-N -2 1 338.367 2.626 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1 ZINC000346487059 142210939 /nfs/dbraw/zinc/21/09/39/142210939.db2.gz IIQRGRPRNPCHCA-UHFFFAOYSA-N -2 1 344.348 2.841 20 0 EFADML CSc1ccc(C)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000342783810 145192531 /nfs/dbraw/zinc/19/25/31/145192531.db2.gz UYTHZLXAOUKFRP-UHFFFAOYSA-N -2 1 326.399 2.544 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(C(=O)[O-])c1 ZINC000349105448 146054018 /nfs/dbraw/zinc/05/40/18/146054018.db2.gz HTUJBMHFBLTBAZ-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000356339085 147217019 /nfs/dbraw/zinc/21/70/19/147217019.db2.gz ZLKMAAFTFDVRTA-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000356683662 147308764 /nfs/dbraw/zinc/30/87/64/147308764.db2.gz LUMWGMZFCYABFO-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CCSCc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000356721051 147318942 /nfs/dbraw/zinc/31/89/42/147318942.db2.gz JMKLRIXPKVGWHR-UHFFFAOYSA-N -2 1 340.426 2.767 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1C(=O)[O-] ZINC000356751119 147326509 /nfs/dbraw/zinc/32/65/09/147326509.db2.gz HTWUDOUXGLRHDG-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360501134 148377794 /nfs/dbraw/zinc/37/77/94/148377794.db2.gz RLLNWAVLDUTVSN-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc21 ZINC000194689972 265381867 /nfs/dbraw/zinc/38/18/67/265381867.db2.gz AKBDJLJKAWNGOT-UHFFFAOYSA-N -2 1 345.380 2.555 20 0 EFADML Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000280509516 273335464 /nfs/dbraw/zinc/33/54/64/273335464.db2.gz LHVIMPQVGNSGDT-NSHDSACASA-N -2 1 344.415 2.643 20 0 EFADML CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231726942 293604022 /nfs/dbraw/zinc/60/40/22/293604022.db2.gz JZCZZWSKPLNDEP-UHFFFAOYSA-N -2 1 344.191 2.522 20 0 EFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000357419424 301958473 /nfs/dbraw/zinc/95/84/73/301958473.db2.gz YJYSLXUQNSJTRS-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000299612980 311102675 /nfs/dbraw/zinc/10/26/75/311102675.db2.gz OSQWSVCMQXNBPK-SNVBAGLBSA-N -2 1 338.385 2.691 20 0 EFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000476427678 313232901 /nfs/dbraw/zinc/23/29/01/313232901.db2.gz MPGLUKHWMSZGKW-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2cccc(COC)c2)c(C(=O)[O-])c1 ZINC000496054084 314927631 /nfs/dbraw/zinc/92/76/31/314927631.db2.gz OFYUMCPJFJNGTB-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(F)c1[O-] ZINC000530145966 317062386 /nfs/dbraw/zinc/06/23/86/317062386.db2.gz WHURZENMWBJZHY-CYBMUJFWSA-N -2 1 339.388 2.531 20 0 EFADML CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000547935067 318053396 /nfs/dbraw/zinc/05/33/96/318053396.db2.gz QLJXNNJJGSXYJH-WCQYABFASA-N -2 1 339.413 2.991 20 0 EFADML C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000547963406 318056946 /nfs/dbraw/zinc/05/69/46/318056946.db2.gz KJRXPKZVEQBBNO-SNVBAGLBSA-N -2 1 325.386 2.601 20 0 EFADML CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000548260826 318086865 /nfs/dbraw/zinc/08/68/65/318086865.db2.gz SGSYOQJYJUCAJB-CABZTGNLSA-N -2 1 335.372 2.523 20 0 EFADML CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000548260828 318087062 /nfs/dbraw/zinc/08/70/62/318087062.db2.gz SGSYOQJYJUCAJB-SKDRFNHKSA-N -2 1 335.372 2.523 20 0 EFADML C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(F)ccc2F)(CC(=O)[O-])C1 ZINC000548544607 318118825 /nfs/dbraw/zinc/11/88/25/318118825.db2.gz HUIULIISGDXTSJ-BONVTDFDSA-N -2 1 347.383 2.524 20 0 EFADML CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000551244903 318204315 /nfs/dbraw/zinc/20/43/15/318204315.db2.gz MCUIGUZKTCIQBZ-HNNXBMFYSA-N -2 1 349.399 2.913 20 0 EFADML CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000551244904 318204320 /nfs/dbraw/zinc/20/43/20/318204320.db2.gz MCUIGUZKTCIQBZ-OAHLLOKOSA-N -2 1 349.399 2.913 20 0 EFADML CC1(C)CC[C@]([N-]S(=O)(=O)c2c(F)cccc2Cl)(C(=O)[O-])C1 ZINC000551915283 318224814 /nfs/dbraw/zinc/22/48/14/318224814.db2.gz DPJFDOBXXHBTPX-CQSZACIVSA-N -2 1 349.811 2.791 20 0 EFADML C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000566314092 319061955 /nfs/dbraw/zinc/06/19/55/319061955.db2.gz ZPTQKDVTIFRVDW-GXTWGEPZSA-N -2 1 349.811 2.791 20 0 EFADML CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl ZINC000569313442 319367518 /nfs/dbraw/zinc/36/75/18/319367518.db2.gz FBLUWTQRUTYBPI-MRVPVSSYSA-N -2 1 339.866 2.959 20 0 EFADML CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000569333068 319370663 /nfs/dbraw/zinc/37/06/63/319370663.db2.gz PTEOBWLUXIVKOL-OTYXRUKQSA-N -2 1 343.376 2.596 20 0 EFADML CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000570519252 319485038 /nfs/dbraw/zinc/48/50/38/319485038.db2.gz SLCGIKBXZKPTHN-PRHODGIISA-N -2 1 337.800 2.503 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])c(F)c1 ZINC000576816949 320051199 /nfs/dbraw/zinc/05/11/99/320051199.db2.gz QLWMQXJCZICDLP-SWLSCSKDSA-N -2 1 347.383 2.585 20 0 EFADML CC(C)(C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC000577046670 320072440 /nfs/dbraw/zinc/07/24/40/320072440.db2.gz QIEGZPCOWNKKRC-UHFFFAOYSA-N -2 1 344.191 2.522 20 0 EFADML C[C@@H](N=c1ccc(N2CCC[C@](C)(C(=O)[O-])C2)n[n-]1)c1ccccc1 ZINC000581431901 324376854 /nfs/dbraw/zinc/37/68/54/324376854.db2.gz AROCYVRQODBAHQ-KUHUBIRLSA-N -2 1 340.427 2.763 20 0 EFADML CC(C)(C)[C@H](C[N-]S(=O)(=O)c1sccc1Cl)CC(=O)[O-] ZINC000583796748 324872406 /nfs/dbraw/zinc/87/24/06/324872406.db2.gz SMDLVTTZQINEHF-QMMMGPOBSA-N -2 1 339.866 2.817 20 0 EFADML O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000013058960 471814201 /nfs/dbraw/zinc/81/42/01/471814201.db2.gz DMOOGRGRHMCTPI-UHFFFAOYSA-N -2 1 325.773 2.768 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1O ZINC000013464475 471831252 /nfs/dbraw/zinc/83/12/52/471831252.db2.gz CBRJIBAHZROVOS-UHFFFAOYSA-N -2 1 327.745 2.545 20 0 EFADML CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000035390691 471997145 /nfs/dbraw/zinc/99/71/45/471997145.db2.gz NAPFPKUUQBLENO-SSDOTTSWSA-N -2 1 346.257 2.833 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1F ZINC000037396374 472011819 /nfs/dbraw/zinc/01/18/19/472011819.db2.gz OUOAFFCQLYGERM-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML CCCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000042007136 472104994 /nfs/dbraw/zinc/10/49/94/472104994.db2.gz LDTMTGMMMKZQHS-UHFFFAOYSA-N -2 1 335.381 2.974 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C(=O)[O-])c1 ZINC000042122716 472115418 /nfs/dbraw/zinc/11/54/18/472115418.db2.gz PIQUFKVHVOTNBC-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000042792546 472170135 /nfs/dbraw/zinc/17/01/35/472170135.db2.gz UIFIAVKPACTCQP-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000042793450 472170345 /nfs/dbraw/zinc/17/03/45/472170345.db2.gz HUAUJBAGGZWBOH-UHFFFAOYSA-N -2 1 343.307 2.787 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1C ZINC000029972285 472309974 /nfs/dbraw/zinc/30/99/74/472309974.db2.gz CSLZCMAWUBGSAN-UHFFFAOYSA-N -2 1 344.392 2.869 20 0 EFADML C[C@H](Oc1cccc(/C=C2\Oc3cc([O-])ccc3C2=O)c1)C(=O)[O-] ZINC000069621614 472383238 /nfs/dbraw/zinc/38/32/38/472383238.db2.gz ONRDNQQYYRSRIK-SYEOYNTFSA-N -2 1 326.304 2.860 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000045945505 472489020 /nfs/dbraw/zinc/48/90/20/472489020.db2.gz DCWVNDUNMVKHQF-UHFFFAOYSA-N -2 1 347.392 2.951 20 0 EFADML Cc1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc2[nH]1 ZINC000046071544 472507720 /nfs/dbraw/zinc/50/77/20/472507720.db2.gz XZLOVAYVWWALFY-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2F)c(F)cc1F ZINC000047383443 472700381 /nfs/dbraw/zinc/70/03/81/472700381.db2.gz WUKAVTRWUWIRLM-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1 ZINC000064620727 472865498 /nfs/dbraw/zinc/86/54/98/472865498.db2.gz GWCHFMXPSYHKSO-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1 ZINC000048382791 472869775 /nfs/dbraw/zinc/86/97/75/472869775.db2.gz HWKCUKYQCOWPOT-UHFFFAOYSA-N -2 1 344.348 2.841 20 0 EFADML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000080941185 473107255 /nfs/dbraw/zinc/10/72/55/473107255.db2.gz JMTVUYPWZBAPKJ-UHFFFAOYSA-N -2 1 344.392 2.928 20 0 EFADML Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc12 ZINC000093909305 473161126 /nfs/dbraw/zinc/16/11/26/473161126.db2.gz CJZXTHSDJVTTNF-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)ccc12 ZINC000093909146 473161843 /nfs/dbraw/zinc/16/18/43/473161843.db2.gz UMJKEJBMUIDQIC-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C(=O)[O-] ZINC000193356024 473783434 /nfs/dbraw/zinc/78/34/34/473783434.db2.gz GYQRRZOZACGNEO-UHFFFAOYSA-N -2 1 330.365 2.560 20 0 EFADML O=C([O-])C1CCC(NC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000236426572 474272584 /nfs/dbraw/zinc/27/25/84/474272584.db2.gz PBPYLVCMYROXHC-UHFFFAOYSA-N -2 1 342.189 2.528 20 0 EFADML Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000338876840 474693902 /nfs/dbraw/zinc/69/39/02/474693902.db2.gz ZWTRIBREXKTHRA-UHFFFAOYSA-N -2 1 346.364 2.681 20 0 EFADML O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000315312564 474871219 /nfs/dbraw/zinc/87/12/19/474871219.db2.gz GNJABETZCOKHEP-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000317415725 474886933 /nfs/dbraw/zinc/88/69/33/474886933.db2.gz DYYBCDKHABONQU-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1F ZINC000318863133 474894234 /nfs/dbraw/zinc/89/42/34/474894234.db2.gz IUPYSMLDXAAMCS-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000321922361 474932251 /nfs/dbraw/zinc/93/22/51/474932251.db2.gz IQDWUDARXWAFAY-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML C/C=C/c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000341064315 474935384 /nfs/dbraw/zinc/93/53/84/474935384.db2.gz MCYQHVSTYLOVMV-NSCUHMNNSA-N -2 1 333.365 2.924 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1C(=O)[O-] ZINC000322941787 474943893 /nfs/dbraw/zinc/94/38/93/474943893.db2.gz QWGWGIDJWXVGGR-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000323360925 474946949 /nfs/dbraw/zinc/94/69/49/474946949.db2.gz WTCCENZRJSJJDW-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)ccc1C(=O)[O-] ZINC000323682949 474953008 /nfs/dbraw/zinc/95/30/08/474953008.db2.gz HHRYQCZFHUMNEJ-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c1 ZINC000324824481 474977785 /nfs/dbraw/zinc/97/77/85/474977785.db2.gz APSDOQRDLAQZAH-UHFFFAOYSA-N -2 1 342.376 2.976 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1F ZINC000326053961 474998167 /nfs/dbraw/zinc/99/81/67/474998167.db2.gz CBDPZLYMXULMMZ-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000297143437 475628148 /nfs/dbraw/zinc/62/81/48/475628148.db2.gz IJLBIWFXLAGQEH-PWSUYJOCSA-N -2 1 347.383 2.667 20 0 EFADML Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cccc1C(F)(F)F ZINC000348451254 475674350 /nfs/dbraw/zinc/67/43/50/475674350.db2.gz DKGYRWVHUMKZOX-UHFFFAOYSA-N -2 1 348.302 2.841 20 0 EFADML Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1C(=O)[O-] ZINC000358499613 475728377 /nfs/dbraw/zinc/72/83/77/475728377.db2.gz XZBKURPVCZBTII-UHFFFAOYSA-N -2 1 347.392 2.737 20 0 EFADML Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc21 ZINC000346680172 475759724 /nfs/dbraw/zinc/75/97/24/475759724.db2.gz JIXKCHZXSNOLEL-UHFFFAOYSA-N -2 1 330.365 2.677 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)ccc1F ZINC000346826529 475890071 /nfs/dbraw/zinc/89/00/71/475890071.db2.gz LOBSOEYUZRLVCN-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])ccc1F ZINC000346864693 475922550 /nfs/dbraw/zinc/92/25/50/475922550.db2.gz ICZVYEDNSBEJCL-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CSc1ccccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000358848802 475985903 /nfs/dbraw/zinc/98/59/03/475985903.db2.gz AMZKBRTUNJTMSG-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML Cc1cc(C(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000362141018 476026964 /nfs/dbraw/zinc/02/69/64/476026964.db2.gz VGUBMMSVKULSRV-WCQGTBRESA-N -2 1 344.415 2.547 20 0 EFADML CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000362239173 476102863 /nfs/dbraw/zinc/10/28/63/476102863.db2.gz XVBORNXSOIOCLC-JTQLQIEISA-N -2 1 335.372 2.523 20 0 EFADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000359038153 476134449 /nfs/dbraw/zinc/13/44/49/476134449.db2.gz QEOMNKPTGCRROI-UHFFFAOYSA-N -2 1 348.405 2.724 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(F)c1 ZINC000336851798 476143123 /nfs/dbraw/zinc/14/31/23/476143123.db2.gz CLOZSKBUSCBZQE-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000336871726 476153954 /nfs/dbraw/zinc/15/39/54/476153954.db2.gz NGWYEWPFYZBNQJ-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)ccc1F ZINC000362305254 476155738 /nfs/dbraw/zinc/15/57/38/476155738.db2.gz LQDMZOPTPXHSPR-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362303755 476156221 /nfs/dbraw/zinc/15/62/21/476156221.db2.gz BBTGTHREXTZEOE-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357015714 476158393 /nfs/dbraw/zinc/15/83/93/476158393.db2.gz LVQXRDUIQGGRFN-UHFFFAOYSA-N -2 1 333.409 2.985 20 0 EFADML CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357108487 476237737 /nfs/dbraw/zinc/23/77/37/476237737.db2.gz VSPNJAZJWBSOTK-GFCCVEGCSA-N -2 1 349.408 2.822 20 0 EFADML CCOCc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357114252 476242157 /nfs/dbraw/zinc/24/21/57/476242157.db2.gz BNYPKLYUMOPTNJ-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000457350485 476985320 /nfs/dbraw/zinc/98/53/20/476985320.db2.gz SKEXLBGWPYRQIN-ZETCQYMHSA-N -2 1 333.818 2.696 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2cccc(C(=O)[O-])c2)[n-]c1=O ZINC000432700401 477251199 /nfs/dbraw/zinc/25/11/99/477251199.db2.gz UNHMCWKCCKHRKY-JXMROGBWSA-N -2 1 328.324 2.618 20 0 EFADML CCC(CC)(C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000424374101 477383347 /nfs/dbraw/zinc/38/33/47/477383347.db2.gz YJZIACRPSDCLCY-UHFFFAOYSA-N -2 1 343.376 2.741 20 0 EFADML Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436478748 477488388 /nfs/dbraw/zinc/48/83/88/477488388.db2.gz RYMWPBPJLBNNRO-UHFFFAOYSA-N -2 1 336.291 2.817 20 0 EFADML COC(=O)c1ccc([O-])c(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000436513879 477500253 /nfs/dbraw/zinc/50/02/53/477500253.db2.gz NIWWQLVONVMGKT-UHFFFAOYSA-N -2 1 349.383 2.933 20 0 EFADML O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccc(O)cc1[O-] ZINC000436631610 477538482 /nfs/dbraw/zinc/53/84/82/477538482.db2.gz VVYBLAMDJWRUFS-UHFFFAOYSA-N -2 1 335.772 2.877 20 0 EFADML CCOC(=O)c1cnc(/C=C/c2ccc([O-])c(F)c2)c(C(=O)[O-])c1 ZINC000436848859 477611837 /nfs/dbraw/zinc/61/18/37/477611837.db2.gz BWMHAPXMGFIPCQ-HWKANZROSA-N -2 1 331.299 2.972 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)c1 ZINC000451086429 477816066 /nfs/dbraw/zinc/81/60/66/477816066.db2.gz UYXNVQFBHBLZHX-UHFFFAOYSA-N -2 1 345.420 2.993 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c(C)o1 ZINC000540648809 478485954 /nfs/dbraw/zinc/48/59/54/478485954.db2.gz GAZTZPKJJNRTJS-UHFFFAOYSA-N -2 1 327.333 2.843 20 0 EFADML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000542731618 478678265 /nfs/dbraw/zinc/67/82/65/478678265.db2.gz UDLZQGVLFJHARQ-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1cccc(-n2[n-]c3c(c2=O)CCN(Cc2ccccc2)C3)c1 ZINC000634598855 480373376 /nfs/dbraw/zinc/37/33/76/480373376.db2.gz UJQFEDFWBCUIOP-QGZVFWFLSA-N -2 1 349.390 2.610 20 0 EFADML Cc1nc(-c2ccc(N3C[C@H](C(=O)[O-])CC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000662893483 482008479 /nfs/dbraw/zinc/00/84/79/482008479.db2.gz MOAAKBHWNZRFOY-QMTHXVAHSA-N -2 1 342.399 2.551 20 0 EFADML CCCCC[C@@H]1CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000427208587 535121281 /nfs/dbraw/zinc/12/12/81/535121281.db2.gz GSEXFWYPZLAUCA-GFCCVEGCSA-N -2 1 344.415 2.929 20 0 EFADML CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000433619749 535346791 /nfs/dbraw/zinc/34/67/91/535346791.db2.gz UZMWFQBWGMNCDF-UHFFFAOYSA-N -2 1 333.365 2.778 20 0 EFADML CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000320176717 545815187 /nfs/dbraw/zinc/81/51/87/545815187.db2.gz ZOSVHCXKCCYYHB-UHFFFAOYSA-N -2 1 336.413 2.960 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc(C(=O)[O-])c1 ZINC000350477229 546026837 /nfs/dbraw/zinc/02/68/37/546026837.db2.gz MADSPWXXMJZGPI-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000350514088 546027565 /nfs/dbraw/zinc/02/75/65/546027565.db2.gz MKOYOXJWGUQAEI-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cc(C(=O)[O-])c1 ZINC000350518561 546028164 /nfs/dbraw/zinc/02/81/64/546028164.db2.gz VLVPYHKIKBHJCD-UHFFFAOYSA-N -2 1 349.364 2.531 20 0 EFADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000388823953 546159548 /nfs/dbraw/zinc/15/95/48/546159548.db2.gz LTMQSHALGNDAKG-UHFFFAOYSA-N -2 1 343.430 2.576 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(O)c2)cc(Cl)c1F ZINC000762462752 576304708 /nfs/dbraw/zinc/30/47/08/576304708.db2.gz OIYVMOCRIPUVCX-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000821515398 598195067 /nfs/dbraw/zinc/19/50/67/598195067.db2.gz HVONZYOCSDMSNP-VIFPVBQESA-N -2 1 331.290 2.738 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(-n2cccc2)c1 ZINC000740239765 599747954 /nfs/dbraw/zinc/74/79/54/599747954.db2.gz FXMUDUVJTVWJHZ-UHFFFAOYSA-N -2 1 342.376 2.976 20 0 EFADML COc1ccc([C@@H](NC(=O)c2cc(Cl)ccc2[O-])C(=O)[O-])cc1 ZINC000737961215 599848557 /nfs/dbraw/zinc/84/85/57/599848557.db2.gz GHJLDJWHCBQMJE-CQSZACIVSA-N -2 1 335.743 2.610 20 0 EFADML Cn1ccc2ccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc21 ZINC000739040180 600243920 /nfs/dbraw/zinc/24/39/20/600243920.db2.gz RSXSHSHLWZEXQP-UHFFFAOYSA-N -2 1 348.355 2.816 20 0 EFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000738606723 600302671 /nfs/dbraw/zinc/30/26/71/600302671.db2.gz LMUVDQDAKOZDFX-UHFFFAOYSA-N -2 1 338.360 2.703 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1C(=O)[O-] ZINC000738744647 600576922 /nfs/dbraw/zinc/57/69/22/600576922.db2.gz MPKURGVHALIKAP-UHFFFAOYSA-N -2 1 337.401 2.515 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1C(=O)[O-] ZINC000832950155 600691186 /nfs/dbraw/zinc/69/11/86/600691186.db2.gz DNUMGBJQIJLIMG-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML CC(C)C[C@@H](CNC(=O)c1ccc(Br)cc1[O-])C(=O)[O-] ZINC000094702794 600774249 /nfs/dbraw/zinc/77/42/49/600774249.db2.gz UKHLHKYJVADBEQ-VIFPVBQESA-N -2 1 344.205 2.631 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000738042485 600885780 /nfs/dbraw/zinc/88/57/80/600885780.db2.gz XFVUTKZUWSCGBD-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML O=C([O-])c1ccnc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000316229467 600981908 /nfs/dbraw/zinc/98/19/08/600981908.db2.gz PAFYIPVYQBEYJV-VURMDHGXSA-N -2 1 338.772 2.846 20 0 EFADML Cc1cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)ccc1C(=O)[O-] ZINC000324286705 601281639 /nfs/dbraw/zinc/28/16/39/601281639.db2.gz QQINUADLIBFOIU-UHFFFAOYSA-N -2 1 329.356 2.873 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000013362321 601316982 /nfs/dbraw/zinc/31/69/82/601316982.db2.gz FPDJHPVZDAXVAT-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML COCc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000324910550 601321445 /nfs/dbraw/zinc/32/14/45/601321445.db2.gz RSGNSCXZONWGNN-YFHOEESVSA-N -2 1 347.392 2.732 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000324812448 601322754 /nfs/dbraw/zinc/32/27/54/601322754.db2.gz DFGRHRSSFNSOGR-FLIBITNWSA-N -2 1 347.392 2.732 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000833357243 601388700 /nfs/dbraw/zinc/38/87/00/601388700.db2.gz UEHMDEIVTYWNIS-UHFFFAOYSA-N -2 1 345.376 2.705 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)c(C(=O)[O-])[nH]1 ZINC000832899246 601475356 /nfs/dbraw/zinc/47/53/56/601475356.db2.gz GTITYDJRXOSHRX-UHFFFAOYSA-N -2 1 334.397 2.701 20 0 EFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000080308015 601830091 /nfs/dbraw/zinc/83/00/91/601830091.db2.gz AIRAZQNJKTUMRE-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc(F)c1F ZINC000080307962 601830100 /nfs/dbraw/zinc/83/01/00/601830100.db2.gz NPTLEFSQDRYSCR-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000080308176 601830652 /nfs/dbraw/zinc/83/06/52/601830652.db2.gz JMMIUYOPWKYRMN-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)ccc1F ZINC000080309447 601840168 /nfs/dbraw/zinc/84/01/68/601840168.db2.gz NEOWVQWAIAEFKR-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000825960948 601854746 /nfs/dbraw/zinc/85/47/46/601854746.db2.gz UFDZCZXGFAOSMH-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)[nH]n1 ZINC000829215367 601861679 /nfs/dbraw/zinc/86/16/79/601861679.db2.gz AWKLOFCIZGUFHW-SNVBAGLBSA-N -2 1 337.401 2.812 20 0 EFADML CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]n1 ZINC000826910060 602306134 /nfs/dbraw/zinc/30/61/34/602306134.db2.gz YFQNZNTUOUFKGY-VMPITWQZSA-N -2 1 349.412 2.507 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1C(=O)[O-] ZINC000832972725 602307894 /nfs/dbraw/zinc/30/78/94/602307894.db2.gz LRBJGFWEOXTGFX-UHFFFAOYSA-N -2 1 349.412 2.875 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000832919804 602307917 /nfs/dbraw/zinc/30/79/17/602307917.db2.gz VYLYCLNDUHUUJY-UHFFFAOYSA-N -2 1 349.412 2.875 20 0 EFADML O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000738668211 602645129 /nfs/dbraw/zinc/64/51/29/602645129.db2.gz YODWYRXPWXQKAC-UHFFFAOYSA-N -2 1 334.353 2.608 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000830709251 603488309 /nfs/dbraw/zinc/48/83/09/603488309.db2.gz HOXVJUQPRJRFSG-UHFFFAOYSA-N -2 1 330.344 2.956 20 0 EFADML CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(Br)cc1[O-] ZINC000833487948 604705222 /nfs/dbraw/zinc/70/52/22/604705222.db2.gz LTCGDURQZHJFRH-UHFFFAOYSA-N -2 1 344.205 2.728 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1 ZINC000833725831 605041989 /nfs/dbraw/zinc/04/19/89/605041989.db2.gz ILKHZCYHQINOBM-UHFFFAOYSA-N -2 1 336.369 2.724 20 0 EFADML CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)cc1 ZINC000322393823 605163156 /nfs/dbraw/zinc/16/31/56/605163156.db2.gz RIITVNDFIVMKPA-UHFFFAOYSA-N -2 1 334.397 2.878 20 0 EFADML O=C(Nc1nc(Cl)ccc1[O-])c1[n-]cnc1C(=O)c1ccccc1 ZINC000790050482 1277220005 /nfs/dbraw/zinc/22/00/05/1277220005.db2.gz BUXYLPBTWUVIPB-UHFFFAOYSA-N -2 1 342.742 2.647 20 0 EFADML Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cc1C ZINC001148927012 1281825504 /nfs/dbraw/zinc/82/55/04/1281825504.db2.gz ZHWGXTRCQXGKME-UHFFFAOYSA-N -2 1 349.408 2.528 20 0 EFADML C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c2ccccc21 ZINC001148927779 1281826381 /nfs/dbraw/zinc/82/63/81/1281826381.db2.gz SUMGWNGUAMQGKX-MEBBXXQBSA-N -2 1 347.392 2.617 20 0 EFADML O=C([O-])c1cc(Nc2cc3ccc([O-])cc3oc2=O)cc(C(=O)[O-])c1 ZINC001176238985 1287911464 /nfs/dbraw/zinc/91/14/64/1287911464.db2.gz LTMMNJDBTTUXCA-UHFFFAOYSA-N -3 1 341.275 2.639 20 0 EFADML O=C([O-])Cn1cc(Nc2c(Cl)ccc(Br)c2[O-])cn1 ZINC001176274169 1287917919 /nfs/dbraw/zinc/91/79/19/1287917919.db2.gz XRBUQCGPCAYADS-UHFFFAOYSA-N -2 1 346.568 2.833 20 0 EFADML CN(C)c1nc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(N=O)c(=O)[n-]1 ZINC001176584778 1288026071 /nfs/dbraw/zinc/02/60/71/1288026071.db2.gz PWYMYZQCHLPKFB-UHFFFAOYSA-N -2 1 343.343 2.506 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cccc3occc32)cc1C(=O)[O-] ZINC001185310706 1290644521 /nfs/dbraw/zinc/64/45/21/1290644521.db2.gz MPXBAPKAOLRIOU-UHFFFAOYSA-N -2 1 347.348 2.940 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)cc(Cl)c1 ZINC001185914689 1290791543 /nfs/dbraw/zinc/79/15/43/1290791543.db2.gz WMBJRLRDONBLHE-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML NC(=O)c1ccc([N-]S(=O)(=O)c2csc3ccccc32)cc1[O-] ZINC001186508546 1290968727 /nfs/dbraw/zinc/96/87/27/1290968727.db2.gz HZOREZCEENJUFC-UHFFFAOYSA-N -2 1 348.405 2.507 20 0 EFADML O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203319398 1312907321 /nfs/dbraw/zinc/90/73/21/1312907321.db2.gz ODMRZXZDUNZRGU-UHFFFAOYSA-N -2 1 328.256 2.589 20 0 EFADML O=C(Nc1nc(Br)ccc1[O-])c1ccc([O-])c(F)c1F ZINC001192828799 1293066442 /nfs/dbraw/zinc/06/64/42/1293066442.db2.gz URYTZSIHACSLLO-UHFFFAOYSA-N -2 1 345.099 2.786 20 0 EFADML O=C(Nc1nc(Br)ccc1[O-])c1cc(F)c([O-])cc1F ZINC001192852638 1293080379 /nfs/dbraw/zinc/08/03/79/1293080379.db2.gz IMPGGVUSWFOXHX-UHFFFAOYSA-N -2 1 345.099 2.786 20 0 EFADML Cc1ccc(OC(=O)NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cc1 ZINC001194473815 1293643953 /nfs/dbraw/zinc/64/39/53/1293643953.db2.gz HEVSMEVVOVBZCY-UHFFFAOYSA-N -2 1 347.307 2.756 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2[S-])cn1 ZINC001195716612 1294009565 /nfs/dbraw/zinc/00/95/65/1294009565.db2.gz GJFNQWLLOAXAKP-UHFFFAOYSA-N -2 1 330.818 2.833 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)[C@@H](O)CCC2 ZINC001198783055 1295228712 /nfs/dbraw/zinc/22/87/12/1295228712.db2.gz SLUVMNKEJYRPOA-HNNXBMFYSA-N -2 1 347.392 2.555 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000159935812 1297771870 /nfs/dbraw/zinc/77/18/70/1297771870.db2.gz XFBRWZOUBOYLFC-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML COC(=O)c1nc2ccc(-c3ccc(C(=O)[O-])c(OC)c3)cc2[n-]1 ZINC001240743856 1314065300 /nfs/dbraw/zinc/06/53/00/1314065300.db2.gz RSFQKBSDYNOXIY-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML COC(=O)c1nc2cc(-c3ccc(C(=O)[O-])c(OC)c3)ccc2[n-]1 ZINC001240743856 1314065305 /nfs/dbraw/zinc/06/53/05/1314065305.db2.gz RSFQKBSDYNOXIY-UHFFFAOYSA-N -2 1 326.308 2.723 20 0 EFADML Cc1cc(=O)n(-c2ccc(-c3cc(C(F)(F)F)ccc3[O-])nn2)[n-]1 ZINC001242131659 1314183373 /nfs/dbraw/zinc/18/33/73/1314183373.db2.gz IQADDUQGOLPFOI-UHFFFAOYSA-N -2 1 336.273 2.981 20 0 EFADML COc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1C(=O)[O-] ZINC001209901651 1314257166 /nfs/dbraw/zinc/25/71/66/1314257166.db2.gz RMIVVXIQXNDILC-UHFFFAOYSA-N -2 1 327.292 2.949 20 0 EFADML O=C(Nc1cc([O-])c(F)cc1F)c1nn(-c2ccccc2F)cc1[O-] ZINC001160916601 1311809222 /nfs/dbraw/zinc/80/92/22/1311809222.db2.gz LISAHNWPTWXHON-UHFFFAOYSA-N -2 1 349.268 2.953 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC001215467563 1314839349 /nfs/dbraw/zinc/83/93/49/1314839349.db2.gz FNLIWNSXFSZMTQ-UHFFFAOYSA-N -2 1 343.307 2.516 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccnc(C(F)(F)F)c2)c1 ZINC001260183256 1316320804 /nfs/dbraw/zinc/32/08/04/1316320804.db2.gz GSBFZOFABCFAEQ-UHFFFAOYSA-N -2 1 346.286 2.599 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3ncc(F)cc23)c1 ZINC001260190576 1316321696 /nfs/dbraw/zinc/32/16/96/1316321696.db2.gz UHKRPEIYYXJSMA-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c3cnccc23)cc1 ZINC001260228463 1316324703 /nfs/dbraw/zinc/32/47/03/1316324703.db2.gz GBWMCKKBWMKBIF-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML Cc1cc(Br)ccc1S(=O)(=O)Nc1cncc(O)c1 ZINC001260457798 1316340416 /nfs/dbraw/zinc/34/04/16/1316340416.db2.gz KCRNKEBWDPMCJO-UHFFFAOYSA-N -2 1 343.202 2.659 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cnccc32)ccc1F ZINC000392091443 1316782357 /nfs/dbraw/zinc/78/23/57/1316782357.db2.gz FWJWNCRMKKMWBH-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800574 1423731325 /nfs/dbraw/zinc/73/13/25/1423731325.db2.gz HVJYJYQWCGLSIT-UHFFFAOYSA-N -2 1 349.272 2.843 20 0 EFADML O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800574 1423731328 /nfs/dbraw/zinc/73/13/28/1423731328.db2.gz HVJYJYQWCGLSIT-UHFFFAOYSA-N -2 1 349.272 2.843 20 0 EFADML Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826297220 1423770834 /nfs/dbraw/zinc/77/08/34/1423770834.db2.gz ZDYZBYDWQWMBQN-UHFFFAOYSA-N -2 1 343.412 2.593 20 0 EFADML O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2cc1[O-] ZINC000130079694 1424190148 /nfs/dbraw/zinc/19/01/48/1424190148.db2.gz UGOCOTCEQIIXNO-UHFFFAOYSA-N -2 1 331.335 2.978 20 0 EFADML O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2cc1[O-] ZINC000130079694 1424190155 /nfs/dbraw/zinc/19/01/55/1424190155.db2.gz UGOCOTCEQIIXNO-UHFFFAOYSA-N -2 1 331.335 2.978 20 0 EFADML C[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824520932 1424253217 /nfs/dbraw/zinc/25/32/17/1424253217.db2.gz GGEFCUPMEMPWCA-SECBINFHSA-N -2 1 343.774 2.717 20 0 EFADML CCc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000821480293 1424628014 /nfs/dbraw/zinc/62/80/14/1424628014.db2.gz AXHNKXSFTMIULY-UHFFFAOYSA-N -2 1 337.383 2.706 20 0 EFADML O=C(C=Cc1ccc2[nH]ccc2c1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826401055 1424976724 /nfs/dbraw/zinc/97/67/24/1424976724.db2.gz OGAJRNGQPCPADW-QHHAFSJGSA-N -2 1 346.350 2.706 20 0 EFADML O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1[O-] ZINC000738167229 1426647167 /nfs/dbraw/zinc/64/71/67/1426647167.db2.gz PSJQUXLFTMBTIX-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML Cc1cc(=O)[nH]c([C@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)n1 ZINC000822210906 1427338794 /nfs/dbraw/zinc/33/87/94/1427338794.db2.gz WDIMFPJTCTXWQC-JTQLQIEISA-N -2 1 343.416 2.536 20 0 EFADML CCCCCc1nnc([N-]C(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000821062161 1427508197 /nfs/dbraw/zinc/50/81/97/1427508197.db2.gz UWTOTHFFSMQYFG-UHFFFAOYSA-N -2 1 349.445 2.765 20 0 EFADML O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ncc(Cl)s1 ZINC000822935256 1429907344 /nfs/dbraw/zinc/90/73/44/1429907344.db2.gz ISPVIYKKGPCCRK-AATRIKPKSA-N -2 1 332.776 2.629 20 0 EFADML Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000826278866 1430008512 /nfs/dbraw/zinc/00/85/12/1430008512.db2.gz WLGXRBZIKSXKOM-UHFFFAOYSA-N -2 1 329.747 2.786 20 0 EFADML Cc1ccc(S(=O)(=O)Nc2cccc(C)c2-c2nnn[n-]2)c(C)c1 ZINC000826292780 1441471567 /nfs/dbraw/zinc/47/15/67/1441471567.db2.gz LLPILSZRPVFQNY-UHFFFAOYSA-N -2 1 343.412 2.593 20 0 EFADML CC(C)c1nc(C=Cc2ccc(-c3nnn[n-]3)s2)ncc1C(=O)[O-] ZINC000820203418 1442452052 /nfs/dbraw/zinc/45/20/52/1442452052.db2.gz UITHQOJPUVOTRF-XQRVVYSFSA-N -2 1 342.384 2.710 20 0 EFADML Cc1cc2nc([N-]C(=O)Cc3cccc(-c4nn[n-]n4)c3)oc2c(C)c1 ZINC000822196378 1443094258 /nfs/dbraw/zinc/09/42/58/1443094258.db2.gz HBHNDPVZJXNSKI-UHFFFAOYSA-N -2 1 348.366 2.806 20 0 EFADML Cc1cc2nc([N-]C(=O)Cc3cccc(-c4nnn[n-]4)c3)oc2c(C)c1 ZINC000822196378 1443094260 /nfs/dbraw/zinc/09/42/60/1443094260.db2.gz HBHNDPVZJXNSKI-UHFFFAOYSA-N -2 1 348.366 2.806 20 0 EFADML CCC(CC)c1nnc([N-]C(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000820897505 1443332560 /nfs/dbraw/zinc/33/25/60/1443332560.db2.gz HPKIRPHAXLJHPL-UHFFFAOYSA-N -2 1 349.445 2.936 20 0 EFADML O=C(CCCc1ccc(Cl)cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822958923 1443366397 /nfs/dbraw/zinc/36/63/97/1443366397.db2.gz NRJOIHIZOYZZIL-UHFFFAOYSA-N -2 1 348.819 2.938 20 0 EFADML O=C(CCc1ccccc1Cl)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822983897 1443764608 /nfs/dbraw/zinc/76/46/08/1443764608.db2.gz WSKAEKCMJPYNFF-UHFFFAOYSA-N -2 1 343.774 2.797 20 0 EFADML Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2nnn[n-]2)c1 ZINC000826288971 1446270933 /nfs/dbraw/zinc/27/09/33/1446270933.db2.gz FEAPIGUACJRPEI-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cc(F)c([O-])c(F)c1 ZINC000825782927 1446406614 /nfs/dbraw/zinc/40/66/14/1446406614.db2.gz VRSGGZZYMZVNCD-UHFFFAOYSA-N -2 1 342.309 2.887 20 0 EFADML Cc1cccc(CSCC(=O)[N-]c2ncc(-c3nn[n-]n3)s2)c1 ZINC000822303805 1446681278 /nfs/dbraw/zinc/68/12/78/1446681278.db2.gz JVAGTPALVBTXEO-UHFFFAOYSA-N -2 1 346.441 2.504 20 0 EFADML CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823942523 1449906040 /nfs/dbraw/zinc/90/60/40/1449906040.db2.gz FDVGFEKLMOCDNK-NTMALXAHSA-N -2 1 339.330 2.753 20 0 EFADML Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c1Cl ZINC000826295995 1450233426 /nfs/dbraw/zinc/23/34/26/1450233426.db2.gz GGPQFOAUQWXCPF-UHFFFAOYSA-N -2 1 329.747 2.786 20 0 EFADML CCCCC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-] ZINC000909343754 721496702 /nfs/dbraw/zinc/49/67/02/721496702.db2.gz VGZWIQCSEBRNGM-NSHDSACASA-N -2 1 329.780 2.818 20 0 EFADML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000320729979 724785564 /nfs/dbraw/zinc/78/55/64/724785564.db2.gz SOLZMRSKPLVRQV-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML COc1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc(Cl)c1[O-] ZINC000909436592 723195615 /nfs/dbraw/zinc/19/56/15/723195615.db2.gz RKHUKICIGNSJPK-UHFFFAOYSA-N -2 1 341.791 2.771 20 0 EFADML C[C@@H](CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1)C(=O)[O-] ZINC000909456206 723413457 /nfs/dbraw/zinc/41/34/57/723413457.db2.gz PDAZFQGUNBHOJO-QMMMGPOBSA-N -2 1 331.290 2.736 20 0 EFADML COc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc(Cl)c1[O-] ZINC000909474343 723467373 /nfs/dbraw/zinc/46/73/73/723467373.db2.gz BJCYSZABGVEDEN-SNVBAGLBSA-N -2 1 341.791 2.771 20 0 EFADML COc1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc(Cl)c1[O-] ZINC000909474342 723467578 /nfs/dbraw/zinc/46/75/78/723467578.db2.gz BJCYSZABGVEDEN-JTQLQIEISA-N -2 1 341.791 2.771 20 0 EFADML O=C([O-])CC[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000909484297 723496668 /nfs/dbraw/zinc/49/66/68/723496668.db2.gz PQOFYMVHRCQEFJ-GFCCVEGCSA-N -2 1 328.368 2.657 20 0 EFADML O=C([O-])C[C@H]1CCCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000909497230 723790727 /nfs/dbraw/zinc/79/07/27/723790727.db2.gz BUAXIWKVKVNSDO-SNVBAGLBSA-N -2 1 332.331 2.549 20 0 EFADML O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1n[n-]c2ccccc2c1=O ZINC000732269058 727012457 /nfs/dbraw/zinc/01/24/57/727012457.db2.gz FBPGKSDJPFHPCP-UHFFFAOYSA-N -2 1 347.334 2.683 20 0 EFADML CCOc1cc(C(=O)N[C@](C)(CC)CC(=O)[O-])cc(Cl)c1[O-] ZINC000909056155 727315315 /nfs/dbraw/zinc/31/53/15/727315315.db2.gz IYVJGTKVRQNOKP-OAHLLOKOSA-N -2 1 329.780 2.818 20 0 EFADML COc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc(Cl)c1[O-] ZINC000909286213 727359181 /nfs/dbraw/zinc/35/91/81/727359181.db2.gz AWKTWOUGKXBJSG-SNVBAGLBSA-N -2 1 329.780 2.531 20 0 EFADML CCOc1cc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc(Cl)c1[O-] ZINC000909880398 727391520 /nfs/dbraw/zinc/39/15/20/727391520.db2.gz OTVJXMJCUZKFIG-NSHDSACASA-N -2 1 341.791 2.675 20 0 EFADML O=C([O-])[C@H]1CCCCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000910045915 727407964 /nfs/dbraw/zinc/40/79/64/727407964.db2.gz PMZNCGWKAOEZRZ-GFCCVEGCSA-N -2 1 332.331 2.549 20 0 EFADML CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000910113071 727413605 /nfs/dbraw/zinc/41/36/05/727413605.db2.gz DCIGBCRRLFAVCB-GOSISDBHSA-N -2 1 328.368 2.800 20 0 EFADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000225614031 728174779 /nfs/dbraw/zinc/17/47/79/728174779.db2.gz LWMBLEPTKCTGJW-UHFFFAOYSA-N -2 1 347.801 2.915 20 0 EFADML Cc1ccccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000322018704 970838409 /nfs/dbraw/zinc/83/84/09/970838409.db2.gz OYYSPBDVBDWLRQ-UHFFFAOYSA-N -2 1 331.393 2.912 20 0 EFADML O=C([O-])C[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001611407795 971033409 /nfs/dbraw/zinc/03/34/09/971033409.db2.gz WRKBBPZZLRQXFA-JTQLQIEISA-N -2 1 348.786 2.921 20 0 EFADML Cc1ccc(C(=O)[O-])cc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000323883239 971052650 /nfs/dbraw/zinc/05/26/50/971052650.db2.gz LJVZZDQTUZEHMD-UHFFFAOYSA-N -2 1 329.356 2.873 20 0 EFADML Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)ccc2o1 ZINC000326645327 971313168 /nfs/dbraw/zinc/31/31/68/971313168.db2.gz VUJCQMJMGLNUCJ-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000327314727 971385905 /nfs/dbraw/zinc/38/59/05/971385905.db2.gz RYKAHXNNDKJLBR-UHFFFAOYSA-N -2 1 341.367 2.515 20 0 EFADML O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000220206701 949558435 /nfs/dbraw/zinc/55/84/35/949558435.db2.gz IOMKINVQLSRPJI-QGZVFWFLSA-N -2 1 335.359 2.971 20 0 EFADML O=C([O-])CCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC001595027665 951353816 /nfs/dbraw/zinc/35/38/16/951353816.db2.gz CHFWJBMLNKYQHL-UHFFFAOYSA-N -2 1 348.399 2.648 20 0 EFADML C[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC[C@H]1C(=O)[O-] ZINC001589383871 954298386 /nfs/dbraw/zinc/29/83/86/954298386.db2.gz PCVZIYRVHOYOOG-GXSJLCMTSA-N -2 1 348.786 2.777 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])cc(Cl)c1[O-] ZINC000902109513 956654503 /nfs/dbraw/zinc/65/45/03/956654503.db2.gz BVSMONSIMGDREX-HNNXBMFYSA-N -2 1 327.764 2.524 20 0 EFADML Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000389157325 972209896 /nfs/dbraw/zinc/20/98/96/972209896.db2.gz KZNGYOQXMYZNIB-UHFFFAOYSA-N -2 1 343.430 2.576 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])cc1 ZINC000034032788 957188993 /nfs/dbraw/zinc/18/89/93/957188993.db2.gz YAIPFZQXYGTUET-UHFFFAOYSA-N -2 1 327.383 2.564 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)c1 ZINC001594029344 957746663 /nfs/dbraw/zinc/74/66/63/957746663.db2.gz ZBROHKMTVVBNHX-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC000081298158 957779143 /nfs/dbraw/zinc/77/91/43/957779143.db2.gz BSTVKFBCEFBRHP-UHFFFAOYSA-N -2 1 330.365 2.560 20 0 EFADML O=C([O-])C1(NC(=O)c2c([O-])cnc3c(F)cccc32)CCCCC1 ZINC001605735969 972375044 /nfs/dbraw/zinc/37/50/44/972375044.db2.gz KYWGXZVFPDANIA-UHFFFAOYSA-N -2 1 332.331 2.597 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1Cl ZINC000218622371 959790239 /nfs/dbraw/zinc/79/02/39/959790239.db2.gz MBETUOWUFIUCTM-UHFFFAOYSA-N -2 1 347.179 2.887 20 0 EFADML CCCC[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)[O-] ZINC000232976565 960306097 /nfs/dbraw/zinc/30/60/97/960306097.db2.gz WJBLKIHLSAQROQ-SNVBAGLBSA-N -2 1 330.178 2.528 20 0 EFADML O=C([O-])c1ccccc1NC(=O)NCCc1c(F)cc([O-])cc1F ZINC001605786492 972500903 /nfs/dbraw/zinc/50/09/03/972500903.db2.gz QKAXPWGGIQLFCG-UHFFFAOYSA-N -2 1 336.294 2.733 20 0 EFADML Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195234875 960568884 /nfs/dbraw/zinc/56/88/84/960568884.db2.gz RXWCDDLGDLZYRJ-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC001198779993 960585803 /nfs/dbraw/zinc/58/58/03/960585803.db2.gz XAHNGKCZRIJUKU-UHFFFAOYSA-N -2 1 344.348 2.841 20 0 EFADML Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(CC(=O)[O-])cc3)cc2o1 ZINC001255611257 960654470 /nfs/dbraw/zinc/65/44/70/960654470.db2.gz OOXQRPDSXIDJSH-UHFFFAOYSA-N -2 1 346.364 2.564 20 0 EFADML O=C([O-])c1ccc(NC(=O)c2cc(Br)ccc2[O-])cn1 ZINC000236477132 960661160 /nfs/dbraw/zinc/66/11/60/960661160.db2.gz ZJGILOZEPVOIEY-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])cc2o1 ZINC001334364879 961803012 /nfs/dbraw/zinc/80/30/12/961803012.db2.gz KVANWLOBQCIDIY-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML CC(C)C[C@H](CNC(=O)c1ccc2ccc(O)cc2c1[O-])C(=O)[O-] ZINC001571196677 962321947 /nfs/dbraw/zinc/32/19/47/962321947.db2.gz PRZONJCVDFAAAH-GFCCVEGCSA-N -2 1 331.368 2.728 20 0 EFADML O=C([O-])[C@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)Cc2ccccc21 ZINC001574658185 962484504 /nfs/dbraw/zinc/48/45/04/962484504.db2.gz XQPGJFSSKLEOSM-AWEZNQCLSA-N -2 1 345.782 2.799 20 0 EFADML C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)cc2C(=O)[O-])c1 ZINC001573345367 962933716 /nfs/dbraw/zinc/93/37/16/962933716.db2.gz QVJIVJYLAJAHHS-UHFFFAOYSA-N -2 1 340.335 2.776 20 0 EFADML Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2F)c1C(=O)[O-] ZINC000314168614 963721040 /nfs/dbraw/zinc/72/10/40/963721040.db2.gz URFZTLUACIEHGX-UHFFFAOYSA-N -2 1 327.333 2.843 20 0 EFADML COc1c(C)ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1C ZINC000315898980 963949590 /nfs/dbraw/zinc/94/95/90/963949590.db2.gz QQEJAKPZOCDDBG-UHFFFAOYSA-N -2 1 341.410 2.873 20 0 EFADML COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC000325465694 968038073 /nfs/dbraw/zinc/03/80/73/968038073.db2.gz BRBAMFOTQJYLQN-ZDUSSCGKSA-N -2 1 327.336 2.620 20 0 EFADML O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000319824672 970576970 /nfs/dbraw/zinc/57/69/70/970576970.db2.gz MLEDAZWDFAEOGK-BAQGIRSFSA-N -2 1 339.319 2.863 20 0 EFADML C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001603292629 972557338 /nfs/dbraw/zinc/55/73/38/972557338.db2.gz IRFJWTGEFXQPQG-SFHVURJKSA-N -2 1 343.335 2.544 20 0 EFADML O=C([O-])C[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001606095276 973266487 /nfs/dbraw/zinc/26/64/87/973266487.db2.gz SVFDIABVMWHRCN-LLVKDONJSA-N -2 1 329.352 2.578 20 0 EFADML O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)ccc1[O-] ZINC000405301514 973820334 /nfs/dbraw/zinc/82/03/34/973820334.db2.gz NWRLQUDBRYJRDN-GZMMTYOYSA-N -2 1 342.189 2.528 20 0 EFADML CCCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)c([O-])c1 ZINC001603652569 974015229 /nfs/dbraw/zinc/01/52/29/974015229.db2.gz RGGGDOPBJGRXFX-UHFFFAOYSA-N -2 1 330.340 2.917 20 0 EFADML CC(C)OCCS(=O)(=O)[N-]c1c(C(=O)[O-])ccc2ccccc21 ZINC001591727144 975694863 /nfs/dbraw/zinc/69/48/63/975694863.db2.gz YOSXTTPPXMEQRF-UHFFFAOYSA-N -2 1 337.397 2.705 20 0 EFADML CC(C)c1cccc(-n2cc([O-])c(C(=O)OCCCC(=O)[O-])n2)c1 ZINC001591983896 976605629 /nfs/dbraw/zinc/60/56/29/976605629.db2.gz UBXLCNHKFWZLDF-UHFFFAOYSA-N -2 1 332.356 2.723 20 0 EFADML CC(C)c1sc(NC(=O)c2cnc(C3CC3)[n-]c2=O)nc1C(=O)[O-] ZINC001592115197 976913843 /nfs/dbraw/zinc/91/38/43/976913843.db2.gz UMQFTIPDGUHVNQ-UHFFFAOYSA-N -2 1 348.384 2.590 20 0 EFADML C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(F)c([O-])c1)C(=O)[O-] ZINC001592606149 978553623 /nfs/dbraw/zinc/55/36/23/978553623.db2.gz USLPNUSKYIOLGL-LBPRGKRZSA-N -2 1 331.343 2.894 20 0 EFADML O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1F ZINC000740700731 978676270 /nfs/dbraw/zinc/67/62/70/978676270.db2.gz DOTOHPLUFOYLSL-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML CCC(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595217402 980025644 /nfs/dbraw/zinc/02/56/44/980025644.db2.gz XVTUPMOOXWXOMI-SECBINFHSA-N -2 1 325.233 2.993 20 0 EFADML CCC1(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CCCC1 ZINC001595379405 980917822 /nfs/dbraw/zinc/91/78/22/980917822.db2.gz AUCDRIGFKSQFKJ-UHFFFAOYSA-N -2 1 347.383 2.912 20 0 EFADML O=C([O-])C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCCC1 ZINC000906004350 981166528 /nfs/dbraw/zinc/16/65/28/981166528.db2.gz GKHKFLJMKUUKSQ-SNVBAGLBSA-N -2 1 337.850 2.713 20 0 EFADML CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001589199298 985628541 /nfs/dbraw/zinc/62/85/41/985628541.db2.gz CGNVJYLTHAUNQF-UHFFFAOYSA-N -2 1 342.351 2.620 20 0 EFADML CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001589199458 985632996 /nfs/dbraw/zinc/63/29/96/985632996.db2.gz NBIMOBPBRUPNNZ-UHFFFAOYSA-N -2 1 348.742 2.955 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2ccsc2CC(=O)[O-])c1 ZINC001589290904 986030912 /nfs/dbraw/zinc/03/09/12/986030912.db2.gz GBROHDQCOVKXTR-UHFFFAOYSA-N -2 1 348.376 2.683 20 0 EFADML C[C@@H]1Cc2cc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])ccc2O1 ZINC001594619094 986646666 /nfs/dbraw/zinc/64/66/66/986646666.db2.gz UTTBRJZACJAPGD-MRVPVSSYSA-N -2 1 339.394 2.571 20 0 EFADML CC(C)(C)C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C(=O)[O-] ZINC001589751627 988055052 /nfs/dbraw/zinc/05/50/52/988055052.db2.gz PMCOVZUEDYJGGR-CQSZACIVSA-N -2 1 331.368 2.870 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2N(C)C)cc1 ZINC001597562361 988306640 /nfs/dbraw/zinc/30/66/40/988306640.db2.gz WMZWIAOGNVIKFH-UHFFFAOYSA-N -2 1 348.424 2.814 20 0 EFADML CCc1cccc(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001597600466 988453356 /nfs/dbraw/zinc/45/33/56/988453356.db2.gz BYSSFLOHQLWOLI-UHFFFAOYSA-N -2 1 345.380 2.624 20 0 EFADML CC(C)(CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])CC(=O)[O-] ZINC001590746596 990543501 /nfs/dbraw/zinc/54/35/01/990543501.db2.gz BCKKSCSJLOVBHP-UHFFFAOYSA-N -2 1 345.351 2.695 20 0 EFADML CC(C)(C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C1CCC1 ZINC001590766478 990570877 /nfs/dbraw/zinc/57/08/77/990570877.db2.gz UUNFSFYJYMVNSI-UHFFFAOYSA-N -2 1 347.383 2.768 20 0 EFADML CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001591217833 992075441 /nfs/dbraw/zinc/07/54/41/992075441.db2.gz LNQRQUFTIMZFJL-VIFPVBQESA-N -2 1 335.372 2.766 20 0 EFADML CC(C)CCc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)[nH]n1 ZINC001591266349 992179454 /nfs/dbraw/zinc/17/94/54/992179454.db2.gz CFWYWVSPYKYOHM-UHFFFAOYSA-N -2 1 343.430 2.559 20 0 EFADML CC(C)COc1ccccc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001591410112 992487285 /nfs/dbraw/zinc/48/72/85/992487285.db2.gz RHPYYOONJSGLQM-UHFFFAOYSA-N -2 1 329.418 2.574 20 0 EFADML C[C@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593172475 994036921 /nfs/dbraw/zinc/03/69/21/994036921.db2.gz NGRQMADGSYETJX-SMDDNHRTSA-N -2 1 331.343 2.593 20 0 EFADML COc1cccc([O-])c1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001599680229 994967048 /nfs/dbraw/zinc/96/70/48/994967048.db2.gz HDYCBZCQOAWUAT-UHFFFAOYSA-N -2 1 326.308 2.833 20 0 EFADML C[C@H](Oc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1F)C(=O)[O-] ZINC001593632527 995920369 /nfs/dbraw/zinc/92/03/69/995920369.db2.gz WPOCSTMHJVSHHM-QMMMGPOBSA-N -2 1 337.278 2.775 20 0 EFADML CC1(C)C(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1(C)C ZINC001593830988 996574456 /nfs/dbraw/zinc/57/44/56/996574456.db2.gz PAKLDHQERJUHJI-UHFFFAOYSA-N -2 1 347.383 2.624 20 0 EFADML COc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1C(=O)[O-] ZINC001599569473 998341704 /nfs/dbraw/zinc/34/17/04/998341704.db2.gz REVAPWXSBSLDFT-UHFFFAOYSA-N -2 1 335.743 2.682 20 0 EFADML C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)[C@@H]1C ZINC001594352923 999337158 /nfs/dbraw/zinc/33/71/58/999337158.db2.gz VFRQHEHTOBBSSB-NQMVMOMDSA-N -2 1 335.809 2.734 20 0 EFADML Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC001600198910 1094870820 /nfs/dbraw/zinc/87/08/20/1094870820.db2.gz RSTGKVVPQRVRKD-RYUDHWBXSA-N -2 1 344.333 2.839 20 0 EFADML Cc1cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)ccc1C(=O)[O-] ZINC001600209832 1094886421 /nfs/dbraw/zinc/88/64/21/1094886421.db2.gz ZJQMLVZMAOZMLG-UHFFFAOYSA-N -2 1 340.379 2.954 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCCC2)c(F)c1 ZINC001600229585 1094904029 /nfs/dbraw/zinc/90/40/29/1094904029.db2.gz XUYAVYMYJVMBRW-ZDUSSCGKSA-N -2 1 347.383 2.585 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCCCC2)c(F)c1 ZINC001600228990 1094904268 /nfs/dbraw/zinc/90/42/68/1094904268.db2.gz RITSFFQOXSLFDI-CYBMUJFWSA-N -2 1 347.383 2.585 20 0 EFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600431763 1095060978 /nfs/dbraw/zinc/06/09/78/1095060978.db2.gz OSRQOXYWSSMFAV-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1[nH]nc(C(C)C)c1C ZINC001600654356 1095240213 /nfs/dbraw/zinc/24/02/13/1095240213.db2.gz FINSKWOIKJUBJK-UHFFFAOYSA-N -2 1 343.430 2.710 20 0 EFADML Cc1nc(C(C)C)oc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC001600689451 1095262731 /nfs/dbraw/zinc/26/27/31/1095262731.db2.gz IJERLRIKIJRFFN-UHFFFAOYSA-N -2 1 338.389 2.618 20 0 EFADML Cc1oc(C)c(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)c1C(=O)[O-] ZINC001600838337 1095369747 /nfs/dbraw/zinc/36/97/47/1095369747.db2.gz HDXSEVYJJRXCMZ-UHFFFAOYSA-N -2 1 341.389 2.550 20 0 EFADML Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1nnc2ccccc2c1O ZINC001600876970 1095400195 /nfs/dbraw/zinc/40/01/95/1095400195.db2.gz PBZKYJQZCWRPIO-UHFFFAOYSA-N -2 1 343.364 2.964 20 0 EFADML Cn1ccc2cccc([N-]S(=O)(=O)CC3(C(=O)[O-])CCCC3)c21 ZINC001600978327 1095453291 /nfs/dbraw/zinc/45/32/91/1095453291.db2.gz WIZPWWQWNXWRNS-UHFFFAOYSA-N -2 1 336.413 2.565 20 0 EFADML O=C([O-])[C@@H](CNC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001601360501 1095635488 /nfs/dbraw/zinc/63/54/88/1095635488.db2.gz DPQXXNRIMBOFRM-ZDUSSCGKSA-N -2 1 333.771 2.573 20 0 EFADML O=C([O-])c1cn(CC(=O)Nc2cc(F)cc(F)c2[O-])c2ccccc12 ZINC001601380680 1095648320 /nfs/dbraw/zinc/64/83/20/1095648320.db2.gz RPVCRHBVJJQAFT-UHFFFAOYSA-N -2 1 346.289 2.962 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc2c(c1)CCO2 ZINC001601397579 1095654882 /nfs/dbraw/zinc/65/48/82/1095654882.db2.gz DSOIHDKOJUFQOG-HNNXBMFYSA-N -2 1 347.754 2.536 20 0 EFADML O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC001601410265 1095664133 /nfs/dbraw/zinc/66/41/33/1095664133.db2.gz LODKNUMWDXRBAH-LRDDRELGSA-N -2 1 343.379 2.545 20 0 EFADML O=C([O-])[C@H](CNC(=O)c1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC001601459407 1095685024 /nfs/dbraw/zinc/68/50/24/1095685024.db2.gz UFPFZJKHKCBKIA-CYBMUJFWSA-N -2 1 337.734 2.783 20 0 EFADML O=C([O-])c1csc(NC(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC001601508968 1095709701 /nfs/dbraw/zinc/70/97/01/1095709701.db2.gz VPTYPZLLDMAVJF-UHFFFAOYSA-N -2 1 342.323 2.794 20 0 EFADML O=C([O-])[C@@H](CS(=O)(=O)[N-]c1cccc(F)c1F)c1ccccc1 ZINC001601656539 1095789639 /nfs/dbraw/zinc/78/96/39/1095789639.db2.gz JSARNNAVJWLPDW-NSHDSACASA-N -2 1 341.335 2.575 20 0 EFADML O=C([O-])C1(CSc2nc(-c3ccccc3)cc(=O)[n-]2)CCOCC1 ZINC001601717594 1095860693 /nfs/dbraw/zinc/86/06/93/1095860693.db2.gz VCFFHMVOBYEZOF-UHFFFAOYSA-N -2 1 346.408 2.823 20 0 EFADML O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC001601804022 1095908795 /nfs/dbraw/zinc/90/87/95/1095908795.db2.gz KMFKYJVQOZEWCQ-RKDXNWHRSA-N -2 1 342.189 2.984 20 0 EFADML O=C([O-])CCCCCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001601983364 1096005206 /nfs/dbraw/zinc/00/52/06/1096005206.db2.gz AZWAEFZQRGBBRF-UHFFFAOYSA-N -2 1 328.796 2.880 20 0 EFADML O=C([O-])CN(C(=O)c1c([O-])cnc2c(F)cccc21)C1CCCCC1 ZINC001602050809 1096039542 /nfs/dbraw/zinc/03/95/42/1096039542.db2.gz XONPXBCMOZUCQT-UHFFFAOYSA-N -2 1 346.358 2.939 20 0 EFADML O=C([O-])CSCc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC001602100782 1096063195 /nfs/dbraw/zinc/06/31/95/1096063195.db2.gz AYUVPNPWDFUTFD-UHFFFAOYSA-N -2 1 345.376 2.531 20 0 EFADML O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cccc([O-])c1F ZINC001602174526 1096102816 /nfs/dbraw/zinc/10/28/16/1096102816.db2.gz JACDRSYPNOHHMY-KBPBESRZSA-N -2 1 329.327 2.962 20 0 EFADML O=C([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC001602267727 1096150141 /nfs/dbraw/zinc/15/01/41/1096150141.db2.gz CWXUKPKNTPHPMM-UHFFFAOYSA-N -2 1 327.745 2.545 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CCC[C@@H]2C=CCC2)c1F ZINC001602273473 1096153181 /nfs/dbraw/zinc/15/31/81/1096153181.db2.gz NFACHXFUXCDMII-SNVBAGLBSA-N -2 1 345.367 2.688 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]C[C@@]23C[C@@H]2CCCC3)c1F ZINC001602273272 1096154026 /nfs/dbraw/zinc/15/40/26/1096154026.db2.gz JLFHKRPYZIXTHH-BJOHPYRUSA-N -2 1 345.367 2.522 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CCCCC2CC2)c1F ZINC001602273079 1096154084 /nfs/dbraw/zinc/15/40/84/1096154084.db2.gz GNXISSFTYQFOGB-UHFFFAOYSA-N -2 1 333.356 2.522 20 0 EFADML O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001602277524 1096156317 /nfs/dbraw/zinc/15/63/17/1096156317.db2.gz VHVVBYUPPJIALP-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC001602277115 1096156902 /nfs/dbraw/zinc/15/69/02/1096156902.db2.gz MZWRXBHZXLZAJN-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML O=C([O-])c1ccc(C(=O)Nc2nc(Br)ccc2[O-])s1 ZINC001602325655 1096180080 /nfs/dbraw/zinc/18/00/80/1096180080.db2.gz JRYVEOHAVRUDPF-UHFFFAOYSA-N -2 1 343.158 2.562 20 0 EFADML O=C([O-])c1cccc(-c2nc(CN3CCC[C@@H](C(=O)[O-])C3)cs2)c1 ZINC001602429059 1096240188 /nfs/dbraw/zinc/24/01/88/1096240188.db2.gz JMPPQGBUSQEKCH-CYBMUJFWSA-N -2 1 346.408 2.805 20 0 EFADML O=C([O-])c1cccc(C(=O)Nc2cccc([O-])c2Br)n1 ZINC001602434363 1096243528 /nfs/dbraw/zinc/24/35/28/1096243528.db2.gz LHATXRYEPPEEOU-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML O=C([O-])c1cccc(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC001602434830 1096243545 /nfs/dbraw/zinc/24/35/45/1096243545.db2.gz XNPQHEJKBWXKPW-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML O=C([O-])c1cccc(CS(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c1 ZINC001602440673 1096247325 /nfs/dbraw/zinc/24/73/25/1096247325.db2.gz CJFZGRUNZINAMH-UHFFFAOYSA-N -2 1 349.412 2.707 20 0 EFADML O=C([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1F ZINC001602442663 1096247698 /nfs/dbraw/zinc/24/76/98/1096247698.db2.gz NYNCWMNKEMAQRM-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1cccc2c1CCN(C(=O)c1ncc3ccccc3c1[O-])C2 ZINC001602457491 1096255453 /nfs/dbraw/zinc/25/54/53/1096255453.db2.gz YEOPPZLFIMBYOC-UHFFFAOYSA-N -2 1 348.358 2.837 20 0 EFADML O=C([O-])c1ccnc(C(=O)Nc2cccc([O-])c2Br)c1 ZINC001602481348 1096266711 /nfs/dbraw/zinc/26/67/11/1096266711.db2.gz NQNPXWDMJHSPGN-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML O=C([O-])c1csc([N-]S(=O)(=O)/C=C/c2ccccc2F)c1 ZINC001602564213 1096300820 /nfs/dbraw/zinc/30/08/20/1096300820.db2.gz WSWNDVPZHDDHIS-AATRIKPKSA-N -2 1 327.358 2.998 20 0 EFADML O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1F ZINC001602587707 1096308676 /nfs/dbraw/zinc/30/86/76/1096308676.db2.gz BUXYVLZYEXFALV-UHFFFAOYSA-N -2 1 342.373 2.659 20 0 EFADML O=C([O-])[C@@H](OC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC001602600097 1096316039 /nfs/dbraw/zinc/31/60/39/1096316039.db2.gz BJXJQEQCYOXTCC-INIZCTEOSA-N -2 1 338.319 2.561 20 0 EFADML CC(=O)Nc1ccc([O-])c(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC001603074327 1096433412 /nfs/dbraw/zinc/43/34/12/1096433412.db2.gz LFSWVVDWYQFWMW-UHFFFAOYSA-N -2 1 348.380 2.979 20 0 EFADML CC(C)(C)c1ncsc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC001603557753 1096551561 /nfs/dbraw/zinc/55/15/61/1096551561.db2.gz KEABTXSWSBEILR-UHFFFAOYSA-N -2 1 340.430 2.562 20 0 EFADML CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)C1CCC1 ZINC001603645996 1096576704 /nfs/dbraw/zinc/57/67/04/1096576704.db2.gz WLFMTJLFQBNTNK-UHFFFAOYSA-N -2 1 335.809 2.736 20 0 EFADML C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604307091 1096801133 /nfs/dbraw/zinc/80/11/33/1096801133.db2.gz LVLCZNUDVNWPFX-ZYHUDNBSSA-N -2 1 349.333 2.732 20 0 EFADML C[C@@H](Oc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1F)C(=O)[O-] ZINC001604439280 1096854386 /nfs/dbraw/zinc/85/43/86/1096854386.db2.gz PZHJYDKSEBUOEN-MRVPVSSYSA-N -2 1 337.278 2.775 20 0 EFADML CC1(C)CCC[C@]([N-]S(=O)(=O)c2cc(F)ccc2F)(C(=O)[O-])C1 ZINC001604530389 1096895245 /nfs/dbraw/zinc/89/52/45/1096895245.db2.gz QHPQECUTUBTUPM-OAHLLOKOSA-N -2 1 347.383 2.667 20 0 EFADML C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604724492 1096941179 /nfs/dbraw/zinc/94/11/79/1096941179.db2.gz IWXMOMXEJIRQEU-NXEZZACHSA-N -2 1 347.383 2.768 20 0 EFADML CC[C@@](C)([N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-])C(F)(F)F ZINC001604914977 1096981048 /nfs/dbraw/zinc/98/10/48/1096981048.db2.gz QPNDAZKABWCVEV-LLVKDONJSA-N -2 1 343.298 2.533 20 0 EFADML CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605164967 1097038906 /nfs/dbraw/zinc/03/89/06/1097038906.db2.gz JTNJHIAPCJDWKP-JOYOIKCWSA-N -2 1 347.383 2.910 20 0 EFADML CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605163483 1097039543 /nfs/dbraw/zinc/03/95/43/1097039543.db2.gz NSCXMCWLNVASEN-KWQFWETISA-N -2 1 333.356 2.520 20 0 EFADML CCCCC[C@@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)[O-] ZINC001605258614 1097070756 /nfs/dbraw/zinc/07/07/56/1097070756.db2.gz JTBZESMCKZEGOV-GFCCVEGCSA-N -2 1 334.347 2.843 20 0 EFADML CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC001605884966 1097265491 /nfs/dbraw/zinc/26/54/91/1097265491.db2.gz HIXMTROUKVZCQJ-UHFFFAOYSA-N -2 1 349.286 2.758 20 0 EFADML Cc1nc2[nH]ccc2cc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167936710 1097356704 /nfs/dbraw/zinc/35/67/04/1097356704.db2.gz NCXLPPAGABAQBW-UHFFFAOYSA-N -2 1 343.323 2.908 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3nnccc3c2)Cc2ccccc2C1 ZINC001167937455 1097368572 /nfs/dbraw/zinc/36/85/72/1097368572.db2.gz XYLJNTPPBBLBLD-UHFFFAOYSA-N -2 1 341.307 2.715 20 0 EFADML CCOCc1cncc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1 ZINC001167939236 1097383155 /nfs/dbraw/zinc/38/31/55/1097383155.db2.gz RBWYRHHKWJNMOI-UHFFFAOYSA-N -2 1 348.339 2.703 20 0 EFADML O=P([O-])([O-])C1(Nc2cccc3cnncc32)Cc2ccccc2C1 ZINC001167939897 1097388152 /nfs/dbraw/zinc/38/81/52/1097388152.db2.gz RVFFRZFSIUZEKU-UHFFFAOYSA-N -2 1 341.307 2.715 20 0 EFADML CC(C)c1ncc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cn1 ZINC001167940106 1097390445 /nfs/dbraw/zinc/39/04/45/1097390445.db2.gz ZZDUCURLIQWCJA-UHFFFAOYSA-N -2 1 333.328 2.685 20 0 EFADML COc1ccc2nc(-c3ccc(C(=O)[O-])c(OC)c3)[n-]c(=O)c2c1 ZINC001607300492 1097589579 /nfs/dbraw/zinc/58/95/79/1097589579.db2.gz VTVVGPFAPUWSAU-UHFFFAOYSA-N -2 1 326.308 2.718 20 0 EFADML COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2c([O-])cccc2F)c1 ZINC001607311091 1097594470 /nfs/dbraw/zinc/59/44/70/1097594470.db2.gz LQYNCQVGFXUGHC-GOSISDBHSA-N -2 1 347.342 2.660 20 0 EFADML COc1cccc(C)c1[N-]S(=O)(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC001607316042 1097597665 /nfs/dbraw/zinc/59/76/65/1097597665.db2.gz QCPUWFBVRFFEHL-AWEZNQCLSA-N -2 1 349.408 2.614 20 0 EFADML Cc1cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc(C(=O)[O-])c1 ZINC001607690930 1097700535 /nfs/dbraw/zinc/70/05/35/1097700535.db2.gz AVUJSLRZBRCNJD-UHFFFAOYSA-N -2 1 349.346 2.900 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)cc1O ZINC001607810867 1097740172 /nfs/dbraw/zinc/74/01/72/1097740172.db2.gz UNGBIUOUJDEJDJ-UHFFFAOYSA-N -2 1 349.408 2.864 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(C(=O)[O-])c1 ZINC001607821860 1097742890 /nfs/dbraw/zinc/74/28/90/1097742890.db2.gz KHBUIZIHAAXWNJ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1oc(CNC(=O)c2c([O-])cnc3c(F)cccc32)cc1C(=O)[O-] ZINC001608050508 1097817231 /nfs/dbraw/zinc/81/72/31/1097817231.db2.gz HETNZSGTTFIEMU-UHFFFAOYSA-N -2 1 344.298 2.609 20 0 EFADML O=C([O-])[C@H](NC(=O)c1c([O-])cnc2c(F)cccc21)c1ccsc1 ZINC001608387646 1097908525 /nfs/dbraw/zinc/90/85/25/1097908525.db2.gz KQMBYTTVQYWHQO-CYBMUJFWSA-N -2 1 346.339 2.697 20 0 EFADML O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001608396151 1097911096 /nfs/dbraw/zinc/91/10/96/1097911096.db2.gz VVWGZMUVKPQSGA-WBMJQRKESA-N -2 1 343.379 2.545 20 0 EFADML O=C([O-])c1cc(-c2csc(NC(=O)c3ccc([O-])c(F)c3)n2)c[nH]1 ZINC001608525070 1097940648 /nfs/dbraw/zinc/94/06/48/1097940648.db2.gz KBOGBJYNRWKRHO-UHFFFAOYSA-N -2 1 347.327 2.933 20 0 EFADML O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC001608654756 1097978062 /nfs/dbraw/zinc/97/80/62/1097978062.db2.gz NNOZYGXPFYKCBP-QGZVFWFLSA-N -2 1 348.358 2.765 20 0 EFADML O=C([O-])CCCCCCNC(=O)NCCc1c(F)cc([O-])cc1F ZINC001608711367 1097997484 /nfs/dbraw/zinc/99/74/84/1097997484.db2.gz XAVSVRLWXWCLEC-UHFFFAOYSA-N -2 1 344.358 2.547 20 0 EFADML O=C([O-])CCCc1csc([N-]C(=O)c2ocnc2C(F)F)n1 ZINC001608718878 1098000149 /nfs/dbraw/zinc/00/01/49/1098000149.db2.gz DXZJDLLSYVSRIQ-UHFFFAOYSA-N -2 1 331.300 2.728 20 0 EFADML O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)ccc1[O-] ZINC001608747603 1098010453 /nfs/dbraw/zinc/01/04/53/1098010453.db2.gz XAPZGJRWRDVELW-UHFFFAOYSA-N -2 1 339.269 2.537 20 0 EFADML O=C([O-])COc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1Cl ZINC001608762306 1098012061 /nfs/dbraw/zinc/01/20/61/1098012061.db2.gz MWFGHFGMOZZHBG-UHFFFAOYSA-N -2 1 339.706 2.900 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CC23CCC(CC2)C3)c1F ZINC001608850108 1098043846 /nfs/dbraw/zinc/04/38/46/1098043846.db2.gz FYNYTVJNLRAVFL-UHFFFAOYSA-N -2 1 345.367 2.522 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c1F ZINC001608850394 1098045129 /nfs/dbraw/zinc/04/51/29/1098045129.db2.gz PTYDQPRPGIDGPS-GFCCVEGCSA-N -2 1 345.367 2.664 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]CCCC(F)F)c(F)cc1Cl ZINC001608861606 1098048173 /nfs/dbraw/zinc/04/81/73/1098048173.db2.gz DHBHQOJJKJKAJI-UHFFFAOYSA-N -2 1 345.726 2.501 20 0 EFADML O=C([O-])c1ccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])cc1O ZINC001608902905 1098066853 /nfs/dbraw/zinc/06/68/53/1098066853.db2.gz PHQUALKSPFXTCW-UHFFFAOYSA-N -2 1 339.303 2.907 20 0 EFADML O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC001609050185 1098122010 /nfs/dbraw/zinc/12/20/10/1098122010.db2.gz QVMJCTCMQRMALC-HAQNSBGRSA-N -2 1 329.356 2.612 20 0 EFADML C[C@@H](C(=O)[O-])N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCC1 ZINC001609641177 1098412832 /nfs/dbraw/zinc/41/28/32/1098412832.db2.gz YAVXDRXUSGUUSI-QMMMGPOBSA-N -2 1 331.290 2.879 20 0 EFADML C[C@H](C(=O)[O-])N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCC1 ZINC001609641176 1098413086 /nfs/dbraw/zinc/41/30/86/1098413086.db2.gz YAVXDRXUSGUUSI-MRVPVSSYSA-N -2 1 331.290 2.879 20 0 EFADML C[C@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC001609731814 1098441334 /nfs/dbraw/zinc/44/13/34/1098441334.db2.gz BFHIEHTXHLLGQJ-LLVKDONJSA-N -2 1 348.399 2.504 20 0 EFADML C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001609769283 1098451505 /nfs/dbraw/zinc/45/15/05/1098451505.db2.gz VMGFXDQJNLQEOV-JTQLQIEISA-N -2 1 349.770 3.000 20 0 EFADML CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC001609889517 1098485275 /nfs/dbraw/zinc/48/52/75/1098485275.db2.gz APSWIXDRBFTMTD-CYBMUJFWSA-N -2 1 348.399 2.504 20 0 EFADML CC[C@@](C)([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])C(F)(F)F ZINC001609897306 1098487618 /nfs/dbraw/zinc/48/76/18/1098487618.db2.gz OIQZEHXRMLKCJQ-LLVKDONJSA-N -2 1 343.323 2.604 20 0 EFADML CC[C@](C)([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])C(F)(F)F ZINC001609897307 1098487702 /nfs/dbraw/zinc/48/77/02/1098487702.db2.gz OIQZEHXRMLKCJQ-NSHDSACASA-N -2 1 343.323 2.604 20 0 EFADML CC[C@](C)([N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-])C(F)(F)F ZINC001609897621 1098487764 /nfs/dbraw/zinc/48/77/64/1098487764.db2.gz RETDYXQOHMBGLJ-NSHDSACASA-N -2 1 343.298 2.533 20 0 EFADML CC[C@](NC(=O)c1cncc([O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609929231 1098496791 /nfs/dbraw/zinc/49/67/91/1098496791.db2.gz VWWHAAKRFGABHI-MRXNPFEDSA-N -2 1 334.759 2.561 20 0 EFADML CCCCC[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC001609966979 1098509365 /nfs/dbraw/zinc/50/93/65/1098509365.db2.gz FVONPKDCLFVLKI-NSHDSACASA-N -2 1 344.205 2.918 20 0 EFADML CCc1cccc(S(=O)(=O)[N-]c2cc(COC)cc(C(=O)[O-])c2)c1 ZINC001610066231 1098536686 /nfs/dbraw/zinc/53/66/86/1098536686.db2.gz JUQJAZNSKGDUJM-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001610308094 1098613096 /nfs/dbraw/zinc/61/30/96/1098613096.db2.gz QJBXZECHPQKTMJ-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1c(F)ccc([O-])c1F ZINC001610476631 1098698303 /nfs/dbraw/zinc/69/83/03/1098698303.db2.gz FIFZUAHXZQBCQI-UHFFFAOYSA-N -2 1 337.278 2.695 20 0 EFADML Cc1oc(C)c(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)c1C(=O)[O-] ZINC001610515483 1098725744 /nfs/dbraw/zinc/72/57/44/1098725744.db2.gz UNNIZTSAVCWRHZ-UHFFFAOYSA-N -2 1 349.368 2.580 20 0 EFADML O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC001610875748 1098950893 /nfs/dbraw/zinc/95/08/93/1098950893.db2.gz VQLLRTCSKCSJLD-UHFFFAOYSA-N -2 1 339.394 2.788 20 0 EFADML CC(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840890806 1102371497 /nfs/dbraw/zinc/37/14/97/1102371497.db2.gz OQSNJLPZFLWFGJ-UHFFFAOYSA-N -2 1 348.154 2.625 20 0 EFADML Nc1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC001211966643 1104754024 /nfs/dbraw/zinc/75/40/24/1104754024.db2.gz JFIOYFVDYRKKIA-UHFFFAOYSA-N -2 1 344.751 2.560 20 0 EFADML O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000072636494 1119863226 /nfs/dbraw/zinc/86/32/26/1119863226.db2.gz MCHISWJYNRQQOB-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000055311322 214306203 /nfs/dbraw/zinc/30/62/03/214306203.db2.gz PCGCXJPFIANTSO-UHFFFAOYSA-N -2 1 333.724 2.880 20 0 EFADML CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000035410716 202301743 /nfs/dbraw/zinc/30/17/43/202301743.db2.gz USUPGHIWAYGXAI-QMMMGPOBSA-N -2 1 346.619 2.788 20 0 EFADML CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231725598 242269687 /nfs/dbraw/zinc/26/96/87/242269687.db2.gz OMGIFDUOCGOIFR-ZETCQYMHSA-N -2 1 344.191 2.664 20 0 EFADML O=C([O-])CCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000070198398 203074130 /nfs/dbraw/zinc/07/41/30/203074130.db2.gz BJOJIHSLSQOVSN-UHFFFAOYSA-N -2 1 332.230 2.588 20 0 EFADML Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000262704707 245129945 /nfs/dbraw/zinc/12/99/45/245129945.db2.gz AMRIKTVLEKODHY-UHFFFAOYSA-N -2 1 343.383 2.668 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1F ZINC000042122784 204063901 /nfs/dbraw/zinc/06/39/01/204063901.db2.gz SCFMRXANPNJGGQ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000037374705 204263714 /nfs/dbraw/zinc/26/37/14/204263714.db2.gz METGEPMKIRIDQA-XNCJUZBTSA-N -2 1 346.257 2.833 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(F)cc1F ZINC000427302582 247334789 /nfs/dbraw/zinc/33/47/89/247334789.db2.gz RRSNFOGGWYZEQS-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1c([O-])cccc1[O-] ZINC000436893678 249625735 /nfs/dbraw/zinc/62/57/35/249625735.db2.gz NRHIFUSCWGUVPA-ZDUSSCGKSA-N -2 1 337.379 2.886 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc(C)c1Cl ZINC000442229357 250072447 /nfs/dbraw/zinc/07/24/47/250072447.db2.gz LHSQVZMVUKKUNO-UHFFFAOYSA-N -2 1 342.804 2.794 20 0 EFADML CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000457350949 255689861 /nfs/dbraw/zinc/68/98/61/255689861.db2.gz VUHNZZDWROEVFL-SECBINFHSA-N -2 1 339.866 2.959 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)c(Cl)c1 ZINC000336849516 141518170 /nfs/dbraw/zinc/51/81/70/141518170.db2.gz SABLNNJMNXYHKH-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000356479967 147255939 /nfs/dbraw/zinc/25/59/39/147255939.db2.gz AULBRGXJSXBLNI-UHFFFAOYSA-N -2 1 347.392 2.833 20 0 EFADML O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000360498438 148376068 /nfs/dbraw/zinc/37/60/68/148376068.db2.gz BDBLLJGRMCYNLG-UHFFFAOYSA-N -2 1 333.365 2.535 20 0 EFADML Cc1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360500477 148376887 /nfs/dbraw/zinc/37/68/87/148376887.db2.gz MLBTUUGWUBYASI-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000266800656 286812637 /nfs/dbraw/zinc/81/26/37/286812637.db2.gz AQMOHFGLMFMNKM-ZWNOBZJWSA-N -2 1 344.415 2.785 20 0 EFADML C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000231726316 293604026 /nfs/dbraw/zinc/60/40/26/293604026.db2.gz MYUPXXMALIFAJD-ZCFIWIBFSA-N -2 1 344.191 2.664 20 0 EFADML O=C(c1ccc(O)cc1)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295317100 295299389 /nfs/dbraw/zinc/29/93/89/295299389.db2.gz LBQHYKSKUSVXRM-UHFFFAOYSA-N -2 1 346.814 2.709 20 0 EFADML Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000457006845 301135521 /nfs/dbraw/zinc/13/55/21/301135521.db2.gz PQSDNMVUFVAYTC-ADEWGFFLSA-N -2 1 344.415 2.689 20 0 EFADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(O)c1C ZINC000316705091 311235374 /nfs/dbraw/zinc/23/53/74/311235374.db2.gz QMSKMWRPOXZPKQ-UHFFFAOYSA-N -2 1 341.410 2.878 20 0 EFADML CCc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000481461698 313292424 /nfs/dbraw/zinc/29/24/24/313292424.db2.gz AVIIBJRETVYTQV-UHFFFAOYSA-N -2 1 335.381 2.762 20 0 EFADML Cc1cc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)ccc1[O-] ZINC000499980206 315416039 /nfs/dbraw/zinc/41/60/39/315416039.db2.gz QEOURPUWPXYGII-UHFFFAOYSA-N -2 1 325.393 2.817 20 0 EFADML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000530717026 317169546 /nfs/dbraw/zinc/16/95/46/317169546.db2.gz RIBWTHKSRNVNJZ-UHFFFAOYSA-N -2 1 347.392 2.778 20 0 EFADML CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000530815512 317181964 /nfs/dbraw/zinc/18/19/64/317181964.db2.gz QZBQIIWLQSKVTJ-VXGBXAGGSA-N -2 1 344.415 2.833 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])cc1 ZINC000547548302 318018386 /nfs/dbraw/zinc/01/83/86/318018386.db2.gz GUVCAOODHRQWCJ-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000547559579 318018665 /nfs/dbraw/zinc/01/86/65/318018665.db2.gz AHACZYHZUQBHJH-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000547935493 318053784 /nfs/dbraw/zinc/05/37/84/318053784.db2.gz GHOKOKDATYVKIE-RYUDHWBXSA-N -2 1 339.413 2.991 20 0 EFADML C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2cc3ccccc3o2)(C(=O)[O-])C1 ZINC000548771118 318142245 /nfs/dbraw/zinc/14/22/45/318142245.db2.gz UWWBUIXYNMAQKZ-BZNIZROVSA-N -2 1 337.397 2.745 20 0 EFADML CC1(C)CC[C@]([N-]S(=O)(=O)c2cc3ccccc3o2)(C(=O)[O-])C1 ZINC000560417298 318548947 /nfs/dbraw/zinc/54/89/47/318548947.db2.gz MAQATLUMKSZNFX-MRXNPFEDSA-N -2 1 337.397 2.745 20 0 EFADML C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000566314097 319061774 /nfs/dbraw/zinc/06/17/74/319061774.db2.gz ZPTQKDVTIFRVDW-JSGCOSHPSA-N -2 1 349.811 2.791 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c(F)c1 ZINC000568078203 319244517 /nfs/dbraw/zinc/24/45/17/319244517.db2.gz JSXJMABSXQAMNL-UHFFFAOYSA-N -2 1 349.399 2.833 20 0 EFADML CCOc1cc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000572842150 319709385 /nfs/dbraw/zinc/70/93/85/319709385.db2.gz SMNRSNHFKKHXMO-GXSJLCMTSA-N -2 1 341.791 2.627 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc(Cl)c1[O-] ZINC000574852114 319900043 /nfs/dbraw/zinc/90/00/43/319900043.db2.gz MTWRVIRUOLQYON-JTQLQIEISA-N -2 1 341.791 2.771 20 0 EFADML C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000576640865 320034984 /nfs/dbraw/zinc/03/49/84/320034984.db2.gz ZFZIYDSDOZPGBV-SECBINFHSA-N -2 1 337.800 2.791 20 0 EFADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000013344237 323211685 /nfs/dbraw/zinc/21/16/85/323211685.db2.gz XBNWKLMCAYAPBD-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CCS(=O)(=O)[N-]c1cc(-c2ccccc2C(=O)[O-])ccc1OC ZINC000581134100 324312543 /nfs/dbraw/zinc/31/25/43/324312543.db2.gz LODFBLOLIHGIJM-UHFFFAOYSA-N -2 1 335.381 2.822 20 0 EFADML C[C@H](N=c1ccc(N2CCC[C@](C)(C(=O)[O-])C2)n[n-]1)c1ccccc1 ZINC000581431902 324376480 /nfs/dbraw/zinc/37/64/80/324376480.db2.gz AROCYVRQODBAHQ-LIRRHRJNSA-N -2 1 340.427 2.763 20 0 EFADML O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCC1 ZINC000138535221 473220696 /nfs/dbraw/zinc/22/06/96/473220696.db2.gz LOJSLDHGEDVVAX-UHFFFAOYSA-N -2 1 344.241 2.588 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1 ZINC000150752112 473347222 /nfs/dbraw/zinc/34/72/22/473347222.db2.gz AXBOFKQNUOXKAV-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000516974054 478025551 /nfs/dbraw/zinc/02/55/51/478025551.db2.gz QAVYDNZBYNJBRK-ZCFIWIBFSA-N -2 1 344.191 2.664 20 0 EFADML CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2C(=O)[O-])n1 ZINC000006783538 471569341 /nfs/dbraw/zinc/56/93/41/471569341.db2.gz DJVJKTITEXBNRV-UHFFFAOYSA-N -2 1 347.396 2.564 20 0 EFADML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068075322 472130319 /nfs/dbraw/zinc/13/03/19/472130319.db2.gz MXGWICKJSOJGLT-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1C(=O)[O-] ZINC000042794780 472170092 /nfs/dbraw/zinc/17/00/92/472170092.db2.gz VXDWOOQRGAOPBP-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(C)c1C(=O)[O-] ZINC000156260834 472684929 /nfs/dbraw/zinc/68/49/29/472684929.db2.gz TVLOVXDCDZBYAF-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000047318006 472689346 /nfs/dbraw/zinc/68/93/46/472689346.db2.gz CQVKUORAGJDTOZ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2F)c(F)cc1F ZINC000065553473 472974808 /nfs/dbraw/zinc/97/48/08/472974808.db2.gz ZMVLYWQICHKWFB-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML CCn1c(CCNC(=O)c2ccc3[n-]c(=S)oc3c2)n[n-]c1=S ZINC000081369636 473191909 /nfs/dbraw/zinc/19/19/09/473191909.db2.gz PMLSALQIKXDLDE-UHFFFAOYSA-N -2 1 349.441 2.737 20 0 EFADML CCOc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)cc(Cl)c1[O-] ZINC000263411721 473753083 /nfs/dbraw/zinc/75/30/83/473753083.db2.gz JBGHWFZFEBDKDZ-UHFFFAOYSA-N -2 1 341.791 2.818 20 0 EFADML CCOc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)cc(Cl)c1[O-] ZINC000263539207 473771514 /nfs/dbraw/zinc/77/15/14/473771514.db2.gz BNDFOEGHRZKVLY-MRVPVSSYSA-N -2 1 327.764 2.522 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2CC#N)c1C ZINC000193361382 473784028 /nfs/dbraw/zinc/78/40/28/473784028.db2.gz ZDWXMPGVYWBASL-UHFFFAOYSA-N -2 1 344.392 2.869 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1 ZINC000340886354 474749704 /nfs/dbraw/zinc/74/97/04/474749704.db2.gz GSMMUZOHBUCEJU-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC)c1 ZINC000325114088 474982988 /nfs/dbraw/zinc/98/29/88/474982988.db2.gz KAUINVNQKRXZSA-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML COCCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000326198184 475000288 /nfs/dbraw/zinc/00/02/88/475000288.db2.gz NDLRMLSOSMSPMH-UHFFFAOYSA-N -2 1 349.408 2.683 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000326387074 475004171 /nfs/dbraw/zinc/00/41/71/475004171.db2.gz JQPQWKQXAPBSGA-UHFFFAOYSA-N -2 1 347.392 2.778 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1C(=O)[O-] ZINC000326892796 475012201 /nfs/dbraw/zinc/01/22/01/475012201.db2.gz GSYWKTKRBCGEMK-UHFFFAOYSA-N -2 1 347.392 2.683 20 0 EFADML Cc1cc(C(=O)N2CCC[C@]2(C)CC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000296235908 475232667 /nfs/dbraw/zinc/23/26/67/475232667.db2.gz PQDZGJJJUNEMBS-GOSISDBHSA-N -2 1 344.415 2.785 20 0 EFADML CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000296824491 475493467 /nfs/dbraw/zinc/49/34/67/475493467.db2.gz AUIHJXOTQYRALA-ZCFIWIBFSA-N -2 1 346.257 2.977 20 0 EFADML O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000297226225 475665991 /nfs/dbraw/zinc/66/59/91/475665991.db2.gz ONKIUBUOVCKESB-GXFFZTMASA-N -2 1 347.383 2.667 20 0 EFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000361997742 475925103 /nfs/dbraw/zinc/92/51/03/475925103.db2.gz WMEFBPPOJVDSBX-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000362124185 476016011 /nfs/dbraw/zinc/01/60/11/476016011.db2.gz JNOLNVSDBRTYJW-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000362283508 476141450 /nfs/dbraw/zinc/14/14/50/476141450.db2.gz JGEBMZAMARZXBD-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(F)c1 ZINC000336868473 476150427 /nfs/dbraw/zinc/15/04/27/476150427.db2.gz UBFHDFBXZNKAPI-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000350479921 476202581 /nfs/dbraw/zinc/20/25/81/476202581.db2.gz PLVIXBCCVMNIBH-UHFFFAOYSA-N -2 1 328.777 2.730 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000340771654 476263387 /nfs/dbraw/zinc/26/33/87/476263387.db2.gz DBNTZSXBYOBGKC-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1C)OCO2 ZINC000357713297 476553169 /nfs/dbraw/zinc/55/31/69/476553169.db2.gz CSTBKOAUAPIVIK-UHFFFAOYSA-N -2 1 349.364 2.531 20 0 EFADML Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000413991208 476823619 /nfs/dbraw/zinc/82/36/19/476823619.db2.gz OCYNKFPGUXOGNJ-WDEREUQCSA-N -2 1 344.415 2.689 20 0 EFADML Cc1cc(C(=O)N2CC[C@H](CC(C)(C)C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000457026575 476836416 /nfs/dbraw/zinc/83/64/16/476836416.db2.gz QJCZCLJQIYGSJK-LLVKDONJSA-N -2 1 344.415 2.643 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000424242654 477338630 /nfs/dbraw/zinc/33/86/30/477338630.db2.gz FCHTYTHBSUZRRN-RNCFNFMXSA-N -2 1 341.791 2.770 20 0 EFADML CCc1[n-][nH]c(=NC(=O)c2cc(CC)ccc2[O-])c1Br ZINC000436591776 477526007 /nfs/dbraw/zinc/52/60/07/477526007.db2.gz YEGJAJFFXNVIBM-UHFFFAOYSA-N -2 1 338.205 2.677 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc(C)c1F ZINC000436638010 477541311 /nfs/dbraw/zinc/54/13/11/477541311.db2.gz BNYVWMVUPBBLDV-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c1 ZINC000438823394 477888980 /nfs/dbraw/zinc/88/89/80/477888980.db2.gz YROMQCMZQNJLRU-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML CC1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)(C(=O)[O-])CC1 ZINC000558590286 477891313 /nfs/dbraw/zinc/89/13/13/477891313.db2.gz IUULMUIBFDZAPY-UHFFFAOYSA-N -2 1 349.811 2.791 20 0 EFADML CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1c(F)ccc(C)c1C(=O)[O-] ZINC000583137732 478773832 /nfs/dbraw/zinc/77/38/32/478773832.db2.gz GWMLTYIUHQJUHL-NSHDSACASA-N -2 1 347.408 2.635 20 0 EFADML O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000584723719 479220322 /nfs/dbraw/zinc/22/03/22/479220322.db2.gz NWGWIRSXAQGFON-PWSUYJOCSA-N -2 1 349.811 2.791 20 0 EFADML CCO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-])C1CC1 ZINC000629292690 480203629 /nfs/dbraw/zinc/20/36/29/480203629.db2.gz ULOYFRHSDFPFIS-ZDUSSCGKSA-N -2 1 347.820 2.595 20 0 EFADML CC(C)Cc1nc(=NC(=O)c2cc(-c3cccs3)n[nH]2)s[n-]1 ZINC000618347279 480628764 /nfs/dbraw/zinc/62/87/64/480628764.db2.gz ZSMPYAIHAWUCNY-UHFFFAOYSA-N -2 1 333.442 2.862 20 0 EFADML O=C([O-])C1([N-]S(=O)(=O)c2cc3ccccc3o2)CCCCCC1 ZINC000646038519 481031980 /nfs/dbraw/zinc/03/19/80/481031980.db2.gz FTXURLYVHZAHOL-UHFFFAOYSA-N -2 1 337.397 2.889 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC000663045335 482046389 /nfs/dbraw/zinc/04/63/89/482046389.db2.gz XRPJAUAAYYYWJM-JTQLQIEISA-N -2 1 328.162 2.512 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC000663045533 482046423 /nfs/dbraw/zinc/04/64/23/482046423.db2.gz WPGGMJKLBWBIKX-CQSZACIVSA-N -2 1 342.189 2.903 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c[nH]1 ZINC000157854879 526355878 /nfs/dbraw/zinc/35/58/78/526355878.db2.gz JLEDPWJWGGQCJG-UHFFFAOYSA-N -2 1 348.302 2.619 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1Cl ZINC000231656871 526383447 /nfs/dbraw/zinc/38/34/47/526383447.db2.gz KSTJWKZQOPXAAZ-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])CCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000263097538 527587052 /nfs/dbraw/zinc/58/70/52/527587052.db2.gz FDITYIOIWSHAHA-UHFFFAOYSA-N -2 1 333.818 2.698 20 0 EFADML CCn1cc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1C(=O)[O-] ZINC000315889864 545810947 /nfs/dbraw/zinc/81/09/47/545810947.db2.gz PKVNTDYEWDIFCN-UHFFFAOYSA-N -2 1 340.426 2.729 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)sc1C(=O)[O-] ZINC000319174165 545815134 /nfs/dbraw/zinc/81/51/34/545815134.db2.gz NIAJNCGUIRVVER-UHFFFAOYSA-N -2 1 343.430 2.576 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000350476347 546026728 /nfs/dbraw/zinc/02/67/28/546026728.db2.gz JVELFYBAXXYKQB-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML CCOc1cc(C(=O)NC[C@H](C(=O)[O-])C(C)C)cc(Cl)c1[O-] ZINC000655563664 546485974 /nfs/dbraw/zinc/48/59/74/546485974.db2.gz HQYICZNKYCUSDV-JTQLQIEISA-N -2 1 329.780 2.531 20 0 EFADML Cc1nc(-c2ccc(NC[C@H](C(=O)[O-])C(C)C)nc2)[n-]c(=O)c1C ZINC000656093477 546676436 /nfs/dbraw/zinc/67/64/36/546676436.db2.gz VRTKIJHPOXSHIZ-ZDUSSCGKSA-N -2 1 330.388 2.630 20 0 EFADML O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(C3CC3)cc2)c1 ZINC000678477777 548937126 /nfs/dbraw/zinc/93/71/26/548937126.db2.gz AEIVDPFWPSCJFD-UHFFFAOYSA-N -2 1 333.365 2.769 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1 ZINC000678479293 548937654 /nfs/dbraw/zinc/93/76/54/548937654.db2.gz TXZIUYULWOMZLM-UHFFFAOYSA-N -2 1 331.393 2.992 20 0 EFADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000821539231 597394304 /nfs/dbraw/zinc/39/43/04/597394304.db2.gz UDLLBUQVAMCPSF-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1 ZINC000820032913 598164723 /nfs/dbraw/zinc/16/47/23/598164723.db2.gz PXAHIFNTACTILK-UHFFFAOYSA-N -2 1 349.408 2.902 20 0 EFADML CC(C)(CCC(=O)[O-])NC(=O)c1ccc(Br)c([O-])c1 ZINC000232525127 598220418 /nfs/dbraw/zinc/22/04/18/598220418.db2.gz FTSRJSKZINMEKW-UHFFFAOYSA-N -2 1 330.178 2.528 20 0 EFADML Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000738480215 599851242 /nfs/dbraw/zinc/85/12/42/599851242.db2.gz ZJHPNSGJLDYFIB-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1C(=O)[O-] ZINC000738463396 599869033 /nfs/dbraw/zinc/86/90/33/599869033.db2.gz ABPQJHFMLYBSOM-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML O=C([O-])c1ccc(OCCNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000740164375 599903708 /nfs/dbraw/zinc/90/37/08/599903708.db2.gz QKTKNJHGQAYLIV-UHFFFAOYSA-N -2 1 335.743 2.553 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000386633403 600004316 /nfs/dbraw/zinc/00/43/16/600004316.db2.gz VCCZCSAAPCYFPL-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C)c1 ZINC000061566905 600023111 /nfs/dbraw/zinc/02/31/11/600023111.db2.gz IQMLOYJORXALNL-UHFFFAOYSA-N -2 1 327.383 2.564 20 0 EFADML Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738401763 600092989 /nfs/dbraw/zinc/09/29/89/600092989.db2.gz HUBDGLMGUKQTBI-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)ccc1F ZINC000738477342 600302544 /nfs/dbraw/zinc/30/25/44/600302544.db2.gz WKPQYBFBFYMISX-UHFFFAOYSA-N -2 1 338.360 2.703 20 0 EFADML CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc(Cl)cc1[O-] ZINC000737168572 600485808 /nfs/dbraw/zinc/48/58/08/600485808.db2.gz NNTPESVKWNGDDT-NSHDSACASA-N -2 1 343.807 2.635 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1C(=O)[O-] ZINC000738743290 600565650 /nfs/dbraw/zinc/56/56/50/600565650.db2.gz CNGGXEIUAOCYPE-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000166567799 600636137 /nfs/dbraw/zinc/63/61/37/600636137.db2.gz WHPIFACXPWUDEF-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccccc1F ZINC000833350248 600654517 /nfs/dbraw/zinc/65/45/17/600654517.db2.gz CDXPYBCAQWKOHM-CYBMUJFWSA-N -2 1 326.226 2.792 20 0 EFADML CC(C)C[C@H](CNC(=O)c1cc(Br)ccc1[O-])C(=O)[O-] ZINC000232601651 600774046 /nfs/dbraw/zinc/77/40/46/600774046.db2.gz KZMQFMPARYDDFY-SECBINFHSA-N -2 1 344.205 2.631 20 0 EFADML CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(Br)ccc1[O-] ZINC000828634317 601133508 /nfs/dbraw/zinc/13/35/08/601133508.db2.gz LSDXCFBDXYNQEH-CYBMUJFWSA-N -2 1 330.178 2.528 20 0 EFADML CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Br)ccc1[O-] ZINC000828634318 601133667 /nfs/dbraw/zinc/13/36/67/601133667.db2.gz LSDXCFBDXYNQEH-ZDUSSCGKSA-N -2 1 330.178 2.528 20 0 EFADML CC(C)c1ncc(S(=O)(=O)Oc2ccc(Cl)cc2C(=O)[O-])[n-]1 ZINC000827153269 601223699 /nfs/dbraw/zinc/22/36/99/601223699.db2.gz PXARMJVJLALZTE-UHFFFAOYSA-N -2 1 344.776 2.652 20 0 EFADML CC(C)c1nc(S(=O)(=O)Oc2ccc(Cl)cc2C(=O)[O-])c[n-]1 ZINC000827153269 601223700 /nfs/dbraw/zinc/22/37/00/601223700.db2.gz PXARMJVJLALZTE-UHFFFAOYSA-N -2 1 344.776 2.652 20 0 EFADML COCc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000026547432 601321159 /nfs/dbraw/zinc/32/11/59/601321159.db2.gz RSGNSCXZONWGNN-JXMROGBWSA-N -2 1 347.392 2.732 20 0 EFADML N#CCc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000029972235 601321235 /nfs/dbraw/zinc/32/12/35/601321235.db2.gz OKJAXTOICANUBF-BJMVGYQFSA-N -2 1 342.376 2.651 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000324812446 601322760 /nfs/dbraw/zinc/32/27/60/601322760.db2.gz DFGRHRSSFNSOGR-DHZHZOJOSA-N -2 1 347.392 2.732 20 0 EFADML CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000324925859 601360014 /nfs/dbraw/zinc/36/00/14/601360014.db2.gz VWMYBKUWUSLHSH-FMIVXFBMSA-N -2 1 346.408 2.651 20 0 EFADML O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000390599473 601574848 /nfs/dbraw/zinc/57/48/48/601574848.db2.gz UDNQHYSWVONFLJ-HNNXBMFYSA-N -2 1 331.755 2.870 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2)cc(F)c1F ZINC000080307812 601829942 /nfs/dbraw/zinc/82/99/42/601829942.db2.gz JDBRJOJXYVKVDE-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1C ZINC000322193962 601850406 /nfs/dbraw/zinc/85/04/06/601850406.db2.gz KELZSUIZHFAXBU-UHFFFAOYSA-N -2 1 337.401 2.649 20 0 EFADML CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)[nH]n1 ZINC000829216382 602102436 /nfs/dbraw/zinc/10/24/36/602102436.db2.gz LXOABQPSHIVNCB-QMMMGPOBSA-N -2 1 343.430 2.874 20 0 EFADML CCCCc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)[nH]n1 ZINC000829430754 602103002 /nfs/dbraw/zinc/10/30/02/602103002.db2.gz NSSQUBAAJKBOPW-UHFFFAOYSA-N -2 1 337.401 2.560 20 0 EFADML CCCc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)[nH]n1 ZINC000829567058 602306173 /nfs/dbraw/zinc/30/61/73/602306173.db2.gz XFCOFWYGCJFWFR-UHFFFAOYSA-N -2 1 343.792 2.515 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)s1 ZINC000833323313 602308429 /nfs/dbraw/zinc/30/84/29/602308429.db2.gz BMKIAGZJNCENEQ-UHFFFAOYSA-N -2 1 341.414 2.628 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)c(F)c1 ZINC000833750914 604625921 /nfs/dbraw/zinc/62/59/21/604625921.db2.gz HJDGFZHNZYNBNF-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c(C(=O)[O-])c1 ZINC000833751212 605189338 /nfs/dbraw/zinc/18/93/38/605189338.db2.gz RETISMUXVRWYGV-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(F)c2)cc1 ZINC000833734432 605265426 /nfs/dbraw/zinc/26/54/26/605265426.db2.gz DSGFRXCWFCIIML-UHFFFAOYSA-N -2 1 340.332 2.725 20 0 EFADML O=C([O-])c1ccc(F)c(COC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000833780872 605814287 /nfs/dbraw/zinc/81/42/87/605814287.db2.gz HWDJLTGNAZWZIR-UHFFFAOYSA-N -2 1 326.226 2.865 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176595561 1288031181 /nfs/dbraw/zinc/03/11/81/1288031181.db2.gz LWTRFPXKBSNPNX-RUDMXATFSA-N -2 1 333.365 2.637 20 0 EFADML COC(=O)[N-]C(=S)N(c1ccc(C(=O)[O-])cc1)c1ccccc1N ZINC001176714259 1288101886 /nfs/dbraw/zinc/10/18/86/1288101886.db2.gz LPRCGJWLPJZVIS-UHFFFAOYSA-N -2 1 345.380 2.746 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3ncoc3c2)cc1C(=O)[O-] ZINC001184659910 1290490964 /nfs/dbraw/zinc/49/09/64/1290490964.db2.gz ULOVNORGKRXSDK-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3cnoc3c2)cc1C(=O)[O-] ZINC001184696279 1290494514 /nfs/dbraw/zinc/49/45/14/1290494514.db2.gz GCDHDDHAKWWTSD-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(C)(C)O ZINC001185905968 1290782319 /nfs/dbraw/zinc/78/23/19/1290782319.db2.gz HTTBCNHUNPFEFG-UHFFFAOYSA-N -2 1 349.408 2.721 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCCO2 ZINC001185919245 1290792125 /nfs/dbraw/zinc/79/21/25/1290792125.db2.gz XCGRUCDBEVQFQL-UHFFFAOYSA-N -2 1 347.392 2.819 20 0 EFADML O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)CCC2CCC2)c1 ZINC000903523590 1312812142 /nfs/dbraw/zinc/81/21/42/1312812142.db2.gz YYXWGGARSRSAJA-UHFFFAOYSA-N -2 1 334.397 2.865 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CC3)nc2)ccc1F ZINC001186144493 1290877465 /nfs/dbraw/zinc/87/74/65/1290877465.db2.gz WSLIYUMUBPBECE-UHFFFAOYSA-N -2 1 336.344 2.597 20 0 EFADML O=S(=O)([N-]c1ccc([S-])cc1)c1cncc(Br)c1 ZINC001186411909 1290949613 /nfs/dbraw/zinc/94/96/13/1290949613.db2.gz KEPASJJBFWGMSS-UHFFFAOYSA-N -2 1 345.243 2.934 20 0 EFADML O=S(=O)([N-]c1ccccc1[S-])c1cncc(Br)c1 ZINC001186410674 1290949622 /nfs/dbraw/zinc/94/96/22/1290949622.db2.gz ABUAOHSOGYPUFS-UHFFFAOYSA-N -2 1 345.243 2.934 20 0 EFADML O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ncc(F)cc1F ZINC001190182224 1292048782 /nfs/dbraw/zinc/04/87/82/1292048782.db2.gz XDMVDYQFPLHQHO-UHFFFAOYSA-N -2 1 338.694 2.659 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC001203330063 1312908830 /nfs/dbraw/zinc/90/88/30/1312908830.db2.gz PAHIOGSNLDGXED-UHFFFAOYSA-N -2 1 343.307 2.516 20 0 EFADML O=C(Nc1nc(Br)ccc1[O-])c1cc(O)cc(F)c1F ZINC001192651725 1292956664 /nfs/dbraw/zinc/95/66/64/1292956664.db2.gz KTCWJGGGUAFHGV-UHFFFAOYSA-N -2 1 345.099 2.786 20 0 EFADML O=C(Nc1nc(Br)ccc1[O-])c1c([O-])ccc(F)c1F ZINC001192728875 1293002163 /nfs/dbraw/zinc/00/21/63/1293002163.db2.gz AIJLKZILQCUPBH-UHFFFAOYSA-N -2 1 345.099 2.786 20 0 EFADML CC(C)COC(=O)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21 ZINC001193836534 1293457479 /nfs/dbraw/zinc/45/74/79/1293457479.db2.gz PQIQMEZUCMEHAJ-UHFFFAOYSA-N -2 1 339.369 2.997 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2[S-])c(F)cc1F ZINC001195227656 1293857356 /nfs/dbraw/zinc/85/73/56/1293857356.db2.gz TZXQGLZAUDNAOB-UHFFFAOYSA-N -3 1 345.348 2.753 20 0 EFADML O=C([N-]c1noc2cccnc21)c1c([O-])c(F)c(F)c(F)c1F ZINC001195277753 1293873811 /nfs/dbraw/zinc/87/38/11/1293873811.db2.gz HKELCFHGRCGNKB-UHFFFAOYSA-N -2 1 327.193 2.737 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc(C(=O)[O-])c1F ZINC000133535184 1293915110 /nfs/dbraw/zinc/91/51/10/1293915110.db2.gz HPURBRSZBONYCM-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2cccnc2c1 ZINC001198771302 1295244636 /nfs/dbraw/zinc/24/46/36/1295244636.db2.gz GGTAKIRAHSXAQB-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML CCC(CC)(NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1nn[n-]n1 ZINC001412936204 1295880098 /nfs/dbraw/zinc/88/00/98/1295880098.db2.gz NJZRQNQJDNNSBW-UHFFFAOYSA-N -2 1 344.202 2.657 20 0 EFADML CCOc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc(Cl)c1[O-] ZINC000902172827 1311506502 /nfs/dbraw/zinc/50/65/02/1311506502.db2.gz FMWASVKAVGFEPA-ONGXEEELSA-N -2 1 341.791 2.627 20 0 EFADML O=C([O-])CNC(=O)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214494320 1314699223 /nfs/dbraw/zinc/69/92/23/1314699223.db2.gz MNNDZOJGJLQMRM-UHFFFAOYSA-N -2 1 338.722 2.743 20 0 EFADML Cc1cc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc(C)c1C(=O)[O-] ZINC001216313041 1314939974 /nfs/dbraw/zinc/93/99/74/1314939974.db2.gz XXWABIKSQSOHRS-UHFFFAOYSA-N -2 1 335.381 2.854 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccc([S-])cc2)c(OC)c1 ZINC001258958995 1316197396 /nfs/dbraw/zinc/19/73/96/1316197396.db2.gz AEAASYGUYRBVPC-UHFFFAOYSA-N -2 1 325.411 2.793 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2-n2cccc2)c1 ZINC001260189580 1316321220 /nfs/dbraw/zinc/32/12/20/1316321220.db2.gz NCEJTMFWUJXIDO-UHFFFAOYSA-N -2 1 342.376 2.976 20 0 EFADML Cc1c(F)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC001260189940 1316321895 /nfs/dbraw/zinc/32/18/95/1316321895.db2.gz QNCGGYXYSYZZNW-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3cc(F)ccc3c2)cc1 ZINC001260222141 1316324292 /nfs/dbraw/zinc/32/42/92/1316324292.db2.gz NJJCGCNZLAATLB-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2C2CCC2)ccc1O ZINC001260394272 1316337168 /nfs/dbraw/zinc/33/71/68/1316337168.db2.gz XXQADTPFQDUFRS-UHFFFAOYSA-N -2 1 348.380 2.554 20 0 EFADML Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3C)cc2o1 ZINC001325821467 1329714802 /nfs/dbraw/zinc/71/48/02/1329714802.db2.gz RBRJSHBKSIIPDQ-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML CCCCCc1nnc([N-]C(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000821062333 1428216961 /nfs/dbraw/zinc/21/69/61/1428216961.db2.gz WSEMRIQCGDHYEB-UHFFFAOYSA-N -2 1 349.445 2.765 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826304028 1428446854 /nfs/dbraw/zinc/44/68/54/1428446854.db2.gz RXDDZSZKARRVQD-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML CCOc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])ccc1C ZINC000821395546 1424214587 /nfs/dbraw/zinc/21/45/87/1424214587.db2.gz ZCOUVTMRPBHBMP-UHFFFAOYSA-N -2 1 339.355 2.532 20 0 EFADML CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2nnn[n-]2)c1 ZINC000824352550 1425689897 /nfs/dbraw/zinc/68/98/97/1425689897.db2.gz IDSHVUVCNAIRBU-UHFFFAOYSA-N -2 1 343.412 2.791 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000826461452 1426348636 /nfs/dbraw/zinc/34/86/36/1426348636.db2.gz VSIYRRXGCVFNOL-BUSIMMOISA-N -2 1 343.343 2.731 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])[C@H]1CCCc2sccc21 ZINC000826450832 1426624104 /nfs/dbraw/zinc/62/41/04/1426624104.db2.gz FRXOKYPTWLSUOL-NSHDSACASA-N -2 1 341.396 2.692 20 0 EFADML C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824520933 1426759911 /nfs/dbraw/zinc/75/99/11/1426759911.db2.gz GGEFCUPMEMPWCA-VIFPVBQESA-N -2 1 343.774 2.717 20 0 EFADML CC(C)c1cc([N-]C(=O)CSc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000820187769 1427956169 /nfs/dbraw/zinc/95/61/69/1427956169.db2.gz QGWRPULSVRBBIL-UHFFFAOYSA-N -2 1 344.400 2.709 20 0 EFADML CC(C)c1cc([N-]C(=O)CSc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000820187769 1427956171 /nfs/dbraw/zinc/95/61/71/1427956171.db2.gz QGWRPULSVRBBIL-UHFFFAOYSA-N -2 1 344.400 2.709 20 0 EFADML Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822271390 1442010425 /nfs/dbraw/zinc/01/04/25/1442010425.db2.gz YREIWCXQSJLLPF-UHFFFAOYSA-N -2 1 348.366 2.923 20 0 EFADML Cc1ccc(CCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000822236062 1442107534 /nfs/dbraw/zinc/10/75/34/1442107534.db2.gz IHFBHPMKDFPIDR-UHFFFAOYSA-N -2 1 337.383 2.842 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000826461355 1442308195 /nfs/dbraw/zinc/30/81/95/1442308195.db2.gz RAOQOJAKIBTZNL-KQQUZDAGSA-N -2 1 325.353 2.591 20 0 EFADML CCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825728541 1442372446 /nfs/dbraw/zinc/37/24/46/1442372446.db2.gz PCSVAGWRFBOFMP-UHFFFAOYSA-N -2 1 343.412 2.538 20 0 EFADML O=C(Cc1ccc2ccccc2c1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823087440 1443344702 /nfs/dbraw/zinc/34/47/02/1443344702.db2.gz PXDBAZDMRAYCGK-UHFFFAOYSA-N -2 1 345.362 2.907 20 0 EFADML Cc1ccc2[nH]c(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])cc2c1 ZINC000822270967 1443491118 /nfs/dbraw/zinc/49/11/18/1443491118.db2.gz GBZPZSOCNQRDBQ-UHFFFAOYSA-N -2 1 334.339 2.614 20 0 EFADML Cc1ccc(CCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])s1 ZINC000822235884 1443944634 /nfs/dbraw/zinc/94/46/34/1443944634.db2.gz ARJGIFZVDRCPEU-UHFFFAOYSA-N -2 1 343.412 2.904 20 0 EFADML O=C(C=Cc1ccc(Cl)cc1)Nc1cc(-c2nn[n-]n2)ccc1O ZINC000826399844 1446318995 /nfs/dbraw/zinc/31/89/95/1446318995.db2.gz HQTAKMGPMWDIDI-FPYGCLRLSA-N -2 1 341.758 2.878 20 0 EFADML O=C(C=Cc1ccc(Cl)cc1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826399844 1446318999 /nfs/dbraw/zinc/31/89/99/1446318999.db2.gz HQTAKMGPMWDIDI-FPYGCLRLSA-N -2 1 341.758 2.878 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1C ZINC000825717192 1446850669 /nfs/dbraw/zinc/85/06/69/1446850669.db2.gz IVGIJHFSEGPGCJ-UHFFFAOYSA-N -2 1 343.412 2.538 20 0 EFADML O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1O ZINC000826463941 1447262464 /nfs/dbraw/zinc/26/24/64/1447262464.db2.gz BCVQBFVVPFQUPT-UHFFFAOYSA-N -2 1 348.721 2.722 20 0 EFADML C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)C1 ZINC000317719662 715161785 /nfs/dbraw/zinc/16/17/85/715161785.db2.gz DVBUGJROAVDCPZ-SCZZXKLOSA-N -2 1 333.356 2.520 20 0 EFADML C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)C1 ZINC000317719666 718570749 /nfs/dbraw/zinc/57/07/49/718570749.db2.gz DVBUGJROAVDCPZ-WCBMZHEXSA-N -2 1 333.356 2.520 20 0 EFADML COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1 ZINC000319257855 720721829 /nfs/dbraw/zinc/72/18/29/720721829.db2.gz YYBUCRYHXMIVRO-UHFFFAOYSA-N -2 1 341.410 2.702 20 0 EFADML O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000908652098 727235671 /nfs/dbraw/zinc/23/56/71/727235671.db2.gz LFSYGPOKNRVDQD-LLVKDONJSA-N -2 1 343.301 2.738 20 0 EFADML CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000909700907 727364332 /nfs/dbraw/zinc/36/43/32/727364332.db2.gz PTDBCMXIZZHFPT-GOSISDBHSA-N -2 1 328.368 2.513 20 0 EFADML CCOc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000909781651 727377006 /nfs/dbraw/zinc/37/70/06/727377006.db2.gz PLALXMQICSGSJA-BXKDBHETSA-N -2 1 341.791 2.770 20 0 EFADML C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC000909782423 727377177 /nfs/dbraw/zinc/37/71/77/727377177.db2.gz RYOXFUDEHYCZNM-GZMMTYOYSA-N -2 1 331.290 2.736 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000909841941 727388610 /nfs/dbraw/zinc/38/86/10/727388610.db2.gz VSMVSOGMRLJERA-MRXNPFEDSA-N -2 1 341.791 2.771 20 0 EFADML C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000909842236 727388702 /nfs/dbraw/zinc/38/87/02/727388702.db2.gz XCXXMBCCKNORET-AWEZNQCLSA-N -2 1 331.290 2.738 20 0 EFADML CCOc1cc(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc(Cl)c1[O-] ZINC000910001431 727403714 /nfs/dbraw/zinc/40/37/14/727403714.db2.gz SXYFYQCMEGWJAM-BLLLJJGKSA-N -2 1 341.791 2.818 20 0 EFADML CCOc1cc(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc(Cl)c1[O-] ZINC000910001827 727403720 /nfs/dbraw/zinc/40/37/20/727403720.db2.gz SXYFYQCMEGWJAM-WBMJQRKESA-N -2 1 341.791 2.818 20 0 EFADML CCOc1cc(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc(Cl)c1[O-] ZINC000910001826 727403725 /nfs/dbraw/zinc/40/37/25/727403725.db2.gz SXYFYQCMEGWJAM-MLGOLLRUSA-N -2 1 341.791 2.818 20 0 EFADML O=C([O-])[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])[C@H]2CCC[C@H]21 ZINC000910249282 727423774 /nfs/dbraw/zinc/42/37/74/727423774.db2.gz XBONVQWNNSGTHN-ZNMIVQPWSA-N -2 1 340.379 2.656 20 0 EFADML COc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000324007904 971073405 /nfs/dbraw/zinc/07/34/05/971073405.db2.gz KLSCJTMFJMBDPE-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000326297187 971281432 /nfs/dbraw/zinc/28/14/32/971281432.db2.gz DCUCDITZXJYRPF-BAQGIRSFSA-N -2 1 345.376 2.615 20 0 EFADML COCc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000326562565 971304204 /nfs/dbraw/zinc/30/42/04/971304204.db2.gz ZKTBPUFOWDLYBS-IZZDOVSWSA-N -2 1 347.392 2.732 20 0 EFADML O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2ccc(O)cc2[O-])C1 ZINC001595025008 951337441 /nfs/dbraw/zinc/33/74/41/951337441.db2.gz WIBZMBOUHIQYNU-LBPRGKRZSA-N -2 1 341.363 2.782 20 0 EFADML CC[C@H](C)[C@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(=O)[O-] ZINC001593613279 953474607 /nfs/dbraw/zinc/47/46/07/953474607.db2.gz FKQWCGJZCJGBQW-QFYYESIMSA-N -2 1 345.351 2.694 20 0 EFADML O=C([O-])c1cccc(NC(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC001594763411 953521532 /nfs/dbraw/zinc/52/15/32/953521532.db2.gz NSXJHBOIGZUKKC-UHFFFAOYSA-N -2 1 336.294 2.733 20 0 EFADML C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC[C@H]1C(=O)[O-] ZINC001589393037 954344545 /nfs/dbraw/zinc/34/45/45/954344545.db2.gz VQWQCIRYMDTYJF-WCBMZHEXSA-N -2 1 331.290 2.594 20 0 EFADML CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001589204953 956658715 /nfs/dbraw/zinc/65/87/15/956658715.db2.gz BTSAACIIVNNOTN-UHFFFAOYSA-N -2 1 325.792 2.799 20 0 EFADML CSc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013345886 957032473 /nfs/dbraw/zinc/03/24/73/957032473.db2.gz YUTAPFHHVDDUDN-UHFFFAOYSA-N -2 1 339.394 2.613 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cc1 ZINC001594029418 957747783 /nfs/dbraw/zinc/74/77/83/957747783.db2.gz GIFBEGPYPYFVDY-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2o1 ZINC000078329288 957753494 /nfs/dbraw/zinc/75/34/94/957753494.db2.gz QYKVZKLDGMPLCS-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000080987364 957769168 /nfs/dbraw/zinc/76/91/68/957769168.db2.gz FYNKRXQXSOTFDN-LLVKDONJSA-N -2 1 342.189 2.624 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC000081298006 957779506 /nfs/dbraw/zinc/77/95/06/957779506.db2.gz QRUXRRVVULDFHA-UHFFFAOYSA-N -2 1 330.365 2.560 20 0 EFADML COc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000391570154 972346871 /nfs/dbraw/zinc/34/68/71/972346871.db2.gz VEBZJDGESOWRKI-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML C[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573625844 959541167 /nfs/dbraw/zinc/54/11/67/959541167.db2.gz VLDIPTZDVDXKRZ-KPXOXKRLSA-N -2 1 325.792 2.911 20 0 EFADML Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000226471090 959882914 /nfs/dbraw/zinc/88/29/14/959882914.db2.gz YBMLDEPBTGFSGO-UHFFFAOYSA-N -2 1 333.337 2.834 20 0 EFADML CCCC[C@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)[O-] ZINC000232999898 960308445 /nfs/dbraw/zinc/30/84/45/960308445.db2.gz WJBLKIHLSAQROQ-JTQLQIEISA-N -2 1 330.178 2.528 20 0 EFADML Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000235955878 960534810 /nfs/dbraw/zinc/53/48/10/960534810.db2.gz DITKEAVHWLDDNZ-UHFFFAOYSA-N -2 1 332.790 2.604 20 0 EFADML O=C([O-])[C@H]1CCCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000236452340 960623182 /nfs/dbraw/zinc/62/31/82/960623182.db2.gz RFFBIPGTWOIRMD-LLVKDONJSA-N -2 1 342.189 2.624 20 0 EFADML CC(C)(CCNC(=O)c1c([O-])cnc2ccc(Cl)cc21)C(=O)[O-] ZINC001588775085 961275093 /nfs/dbraw/zinc/27/50/93/961275093.db2.gz DZYQLKVJMHNVBE-UHFFFAOYSA-N -2 1 336.775 2.825 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccc1 ZINC001574587851 962117248 /nfs/dbraw/zinc/11/72/48/962117248.db2.gz IUVWLBZTMDYTSP-ZDUSSCGKSA-N -2 1 339.269 2.967 20 0 EFADML CC(C)C[C@H](CNC(=O)c1ncc2ccccc2c1[O-])CC(=O)[O-] ZINC001588894891 962232586 /nfs/dbraw/zinc/23/25/86/962232586.db2.gz OOUQNZLYFNOSDP-LBPRGKRZSA-N -2 1 330.384 2.807 20 0 EFADML C[C@@](CC(=O)[O-])(NC(=O)c1cc(Cl)ccc1[O-])c1ccncc1 ZINC001571227975 962604493 /nfs/dbraw/zinc/60/44/93/962604493.db2.gz GSJTUQJFKDADSK-INIZCTEOSA-N -2 1 334.759 2.561 20 0 EFADML O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000314963148 963836079 /nfs/dbraw/zinc/83/60/79/963836079.db2.gz ARONOFVTQNVAQW-GFCCVEGCSA-N -2 1 337.681 2.525 20 0 EFADML Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1C(=O)[O-] ZINC000316593809 964027590 /nfs/dbraw/zinc/02/75/90/964027590.db2.gz HHINQAKUEKURDL-UHFFFAOYSA-N -2 1 331.296 2.674 20 0 EFADML CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001603311583 972605640 /nfs/dbraw/zinc/60/56/40/972605640.db2.gz BFLUDAUKZVJPGX-UHFFFAOYSA-N -2 1 343.383 2.858 20 0 EFADML CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC000393866859 972652857 /nfs/dbraw/zinc/65/28/57/972652857.db2.gz UICVUQSCKVTZJH-UHFFFAOYSA-N -2 1 345.726 2.657 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c(F)c1 ZINC001605179765 972895855 /nfs/dbraw/zinc/89/58/55/972895855.db2.gz QJJYVJKQXVREDL-LBPRGKRZSA-N -2 1 349.399 2.831 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c(F)c1 ZINC001605179742 972896007 /nfs/dbraw/zinc/89/60/07/972896007.db2.gz QJJYVJKQXVREDL-GFCCVEGCSA-N -2 1 349.399 2.831 20 0 EFADML C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001603387929 972986504 /nfs/dbraw/zinc/98/65/04/972986504.db2.gz DBABYOVUHXAVLU-BDAKNGLRSA-N -2 1 331.290 2.736 20 0 EFADML CC[C@H](C)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC000400361367 973266968 /nfs/dbraw/zinc/26/69/68/973266968.db2.gz AODDHOKHTZKUEI-GZMMTYOYSA-N -2 1 344.205 2.774 20 0 EFADML O=C([O-])CCCCCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001606156638 973410311 /nfs/dbraw/zinc/41/03/11/973410311.db2.gz RYLBOOPUQONQGH-UHFFFAOYSA-N -2 1 336.775 2.969 20 0 EFADML CC(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000700080366 976933371 /nfs/dbraw/zinc/93/33/71/976933371.db2.gz GODXKUHMBGWXET-UHFFFAOYSA-N -2 1 348.154 2.625 20 0 EFADML C[C@@](CC(=O)[O-])(NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC001592305359 977672614 /nfs/dbraw/zinc/67/26/14/977672614.db2.gz ZENOMGDVFFZFFT-AWEZNQCLSA-N -2 1 331.290 2.784 20 0 EFADML O=C([O-])CN(CCc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000738606408 978572131 /nfs/dbraw/zinc/57/21/31/978572131.db2.gz TYOFIRIXGFXNIO-UHFFFAOYSA-N -2 1 333.771 2.815 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c(F)c1 ZINC000788750809 978798141 /nfs/dbraw/zinc/79/81/41/978798141.db2.gz ONZQDDLWJLECSJ-UHFFFAOYSA-N -2 1 349.339 2.699 20 0 EFADML Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000793352306 978803504 /nfs/dbraw/zinc/80/35/04/978803504.db2.gz JROUOHDXZSGQPM-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)cc1C(=O)[O-] ZINC000806636300 978851077 /nfs/dbraw/zinc/85/10/77/978851077.db2.gz NDFRTWJFMFCBRS-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML CCC(CC)(CC(=O)[O-])NC(=O)c1cc(Br)ccc1[O-] ZINC001595053753 979289678 /nfs/dbraw/zinc/28/96/78/979289678.db2.gz WGRYVFMIVVHUNO-UHFFFAOYSA-N -2 1 344.205 2.918 20 0 EFADML CCCCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(=O)[O-] ZINC001595686516 982175264 /nfs/dbraw/zinc/17/52/64/982175264.db2.gz BTKOWBSDSQQKRU-QMMMGPOBSA-N -2 1 325.333 2.529 20 0 EFADML CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(F)(F)F ZINC001594922387 982476222 /nfs/dbraw/zinc/47/62/22/982476222.db2.gz YVRKIWQAJSGLPH-HZGVNTEJSA-N -2 1 345.364 2.702 20 0 EFADML CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(F)(F)F ZINC001594922390 982477066 /nfs/dbraw/zinc/47/70/66/982477066.db2.gz YVRKIWQAJSGLPH-RCOVLWMOSA-N -2 1 345.364 2.702 20 0 EFADML C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000923155024 982771027 /nfs/dbraw/zinc/77/10/27/982771027.db2.gz LDKZBQDZXPXCKM-RKDXNWHRSA-N -2 1 331.290 2.736 20 0 EFADML CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC001589199587 985634633 /nfs/dbraw/zinc/63/46/33/985634633.db2.gz UIYGUDSWWSRBJP-UHFFFAOYSA-N -2 1 339.307 2.766 20 0 EFADML C[C@H](C(=O)[O-])N(C(=O)c1cc(Br)ccc1[O-])C1CCC1 ZINC001589476725 986977771 /nfs/dbraw/zinc/97/77/71/986977771.db2.gz FWUDNSPOIQTRIK-MRVPVSSYSA-N -2 1 342.189 2.623 20 0 EFADML CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)C(F)(F)F ZINC001597291803 987382485 /nfs/dbraw/zinc/38/24/85/987382485.db2.gz YYCFKKQDJIVWNP-SECBINFHSA-N -2 1 345.726 2.657 20 0 EFADML CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC001589632166 987541922 /nfs/dbraw/zinc/54/19/22/987541922.db2.gz BNACFHIMRBMFBG-UHFFFAOYSA-N -2 1 327.336 2.576 20 0 EFADML CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001589789271 988176310 /nfs/dbraw/zinc/17/63/10/988176310.db2.gz WYIVOWNQXVUBEO-GZMMTYOYSA-N -2 1 347.383 2.766 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC001597562608 988309359 /nfs/dbraw/zinc/30/93/59/988309359.db2.gz LMUZMIKIRVTVCR-UHFFFAOYSA-N -2 1 345.380 2.624 20 0 EFADML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC001597578587 988374081 /nfs/dbraw/zinc/37/40/81/988374081.db2.gz HSTPPMLTTJJITL-UHFFFAOYSA-N -2 1 347.392 2.951 20 0 EFADML CSc1ccc(Cl)cc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001599813921 988387145 /nfs/dbraw/zinc/38/71/45/988387145.db2.gz AUMCWEJMDFGDIL-UHFFFAOYSA-N -2 1 337.850 2.914 20 0 EFADML CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)ccnc1Cl ZINC001597785184 989301603 /nfs/dbraw/zinc/30/16/03/989301603.db2.gz BRICNASYNQXNOY-UHFFFAOYSA-N -2 1 344.776 2.698 20 0 EFADML CN(C(=O)Cc1ccc([O-])c(Cl)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001598036898 990264478 /nfs/dbraw/zinc/26/44/78/990264478.db2.gz RWKOYRYBOYITPR-UHFFFAOYSA-N -2 1 349.770 2.715 20 0 EFADML CC(C)([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nocc1C(=O)[O-] ZINC001590841198 990711657 /nfs/dbraw/zinc/71/16/57/990711657.db2.gz ZJVJUXGOZIPARH-UHFFFAOYSA-N -2 1 342.273 2.655 20 0 EFADML CC(C)([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC001590880851 990798416 /nfs/dbraw/zinc/79/84/16/990798416.db2.gz JWTVFWPKXDFNKA-UHFFFAOYSA-N -2 1 333.818 2.696 20 0 EFADML CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001591217832 992075305 /nfs/dbraw/zinc/07/53/05/992075305.db2.gz LNQRQUFTIMZFJL-SECBINFHSA-N -2 1 335.372 2.766 20 0 EFADML COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001599654418 994555454 /nfs/dbraw/zinc/55/54/54/994555454.db2.gz XYKIJEVWXKQDBY-GOSISDBHSA-N -2 1 347.342 2.660 20 0 EFADML COc1cccc([C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)C(=O)[O-])c1 ZINC001599660939 994654937 /nfs/dbraw/zinc/65/49/37/994654937.db2.gz JJWVXXHAOGLMLL-CQSZACIVSA-N -2 1 332.381 2.986 20 0 EFADML C[C@@H](Oc1ccccc1CNCc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001593648036 995996040 /nfs/dbraw/zinc/99/60/40/995996040.db2.gz HNIXLBFFUMUKSG-GFCCVEGCSA-N -2 1 329.352 2.527 20 0 EFADML C[C@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001593792684 996510185 /nfs/dbraw/zinc/51/01/85/996510185.db2.gz ZNLUWOSBXJUIIM-INIZCTEOSA-N -2 1 334.759 2.531 20 0 EFADML CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001593882534 996714406 /nfs/dbraw/zinc/71/44/06/996714406.db2.gz XFZHGAAOGKCREP-SECBINFHSA-N -2 1 333.356 2.520 20 0 EFADML COc1cc(F)cc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC001599425766 997672394 /nfs/dbraw/zinc/67/23/94/997672394.db2.gz NTSXBLSRYWDHPB-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc(Cl)c1[O-] ZINC001599349827 998074278 /nfs/dbraw/zinc/07/42/78/998074278.db2.gz DWUNJNATPZFEDJ-UHFFFAOYSA-N -2 1 341.791 2.914 20 0 EFADML COc1cc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc(Cl)c1[O-] ZINC001599355635 998174819 /nfs/dbraw/zinc/17/48/19/998174819.db2.gz FAMQPMTWPPMVFU-UHFFFAOYSA-N -2 1 337.715 2.710 20 0 EFADML C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001594158087 998582992 /nfs/dbraw/zinc/58/29/92/998582992.db2.gz ZKIGPQWTKGNTCM-WCBMZHEXSA-N -2 1 334.759 2.529 20 0 EFADML CC1CCC(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CC1 ZINC001594307561 999188333 /nfs/dbraw/zinc/18/83/33/999188333.db2.gz BJSOHOMMXSIQBS-UHFFFAOYSA-N -2 1 347.383 2.768 20 0 EFADML C[C@H]1CC[C@]([N-]C(=O)C(F)(F)C(F)F)(C(=O)[O-])c2ccccc21 ZINC001594324510 999252323 /nfs/dbraw/zinc/25/23/23/999252323.db2.gz ZSTWQPQBDROXED-RMLUDKJBSA-N -2 1 333.281 2.880 20 0 EFADML C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)[C@@H]1C ZINC001594352922 999337179 /nfs/dbraw/zinc/33/71/79/999337179.db2.gz VFRQHEHTOBBSSB-MRTMQBJTSA-N -2 1 335.809 2.734 20 0 EFADML CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000062271891 1088490154 /nfs/dbraw/zinc/49/01/54/1088490154.db2.gz MSJADTKQVALTOB-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML CC(C)(C)CC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)[O-] ZINC001589124085 1093037395 /nfs/dbraw/zinc/03/73/95/1093037395.db2.gz YJPDASJLYRDCKR-ZCFIWIBFSA-N -2 1 344.828 2.668 20 0 EFADML CC(C)(C)CC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)[O-] ZINC001589124085 1093037401 /nfs/dbraw/zinc/03/74/01/1093037401.db2.gz YJPDASJLYRDCKR-ZCFIWIBFSA-N -2 1 344.828 2.668 20 0 EFADML O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1coc(-c2nnn[n-]2)c1 ZINC001593206221 1094237462 /nfs/dbraw/zinc/23/74/62/1094237462.db2.gz YREYGCMVNMIXLQ-UHFFFAOYSA-N -2 1 340.126 2.724 20 0 EFADML O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1coc(-c2nn[n-]n2)c1 ZINC001593206221 1094237469 /nfs/dbraw/zinc/23/74/69/1094237469.db2.gz YREYGCMVNMIXLQ-UHFFFAOYSA-N -2 1 340.126 2.724 20 0 EFADML O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593206048 1094237663 /nfs/dbraw/zinc/23/76/63/1094237663.db2.gz UUXKJMWRBFCTES-UHFFFAOYSA-N -2 1 340.126 2.724 20 0 EFADML O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593206048 1094237667 /nfs/dbraw/zinc/23/76/67/1094237667.db2.gz UUXKJMWRBFCTES-UHFFFAOYSA-N -2 1 340.126 2.724 20 0 EFADML C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001594343757 1094425636 /nfs/dbraw/zinc/42/56/36/1094425636.db2.gz QAHILKHDTFLLCA-IUCAKERBSA-N -2 1 347.383 2.766 20 0 EFADML O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001594984623 1094448634 /nfs/dbraw/zinc/44/86/34/1094448634.db2.gz QNOWWPXTAIVZLR-JTQLQIEISA-N -2 1 331.290 2.880 20 0 EFADML O=C([O-])c1cncc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC001595271368 1094458814 /nfs/dbraw/zinc/45/88/14/1094458814.db2.gz HUTYQJYPKPTSOO-UHFFFAOYSA-N -2 1 326.230 2.757 20 0 EFADML C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001599878448 1094700015 /nfs/dbraw/zinc/70/00/15/1094700015.db2.gz NHRHYECSCFITAZ-PSASIEDQSA-N -2 1 331.290 2.736 20 0 EFADML Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cccc1N(C)C ZINC001600054533 1094744015 /nfs/dbraw/zinc/74/40/15/1094744015.db2.gz HBUOMHXWIHIHNT-UHFFFAOYSA-N -2 1 348.424 2.868 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1O ZINC001600163499 1094827187 /nfs/dbraw/zinc/82/71/87/1094827187.db2.gz MFJCTBNYKHMWIE-VMPITWQZSA-N -2 1 347.392 2.908 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)cc1Cl ZINC001600483086 1095100222 /nfs/dbraw/zinc/10/02/22/1095100222.db2.gz BPUQKSXWOLZBBN-UHFFFAOYSA-N -2 1 340.788 2.730 20 0 EFADML Cc1ccc2nc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)[nH]c2c1 ZINC001600488183 1095103893 /nfs/dbraw/zinc/10/38/93/1095103893.db2.gz BOGKTKIECJUASV-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1ccc2nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)[nH]c2c1 ZINC001600489334 1095103974 /nfs/dbraw/zinc/10/39/74/1095103974.db2.gz UFFMIZBZPUACKO-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1cccc(C[C@@H](CNC(=O)c2c(F)ccc([O-])c2F)C(=O)[O-])c1 ZINC001600528870 1095138219 /nfs/dbraw/zinc/13/82/19/1095138219.db2.gz YWHHHOBBKQPGTQ-LBPRGKRZSA-N -2 1 349.333 2.652 20 0 EFADML Cc1cccc(C[C@H](CNC(=O)c2c(F)ccc([O-])c2F)C(=O)[O-])c1 ZINC001600528869 1095139261 /nfs/dbraw/zinc/13/92/61/1095139261.db2.gz YWHHHOBBKQPGTQ-GFCCVEGCSA-N -2 1 349.333 2.652 20 0 EFADML Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)cc2o1 ZINC001600727458 1095294045 /nfs/dbraw/zinc/29/40/45/1095294045.db2.gz RBWKZSWUPSNSTB-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML Cc1noc(C)c1S(=O)(=O)[N-]c1c(C)c(C(=O)[O-])ccc1Cl ZINC001600809702 1095346556 /nfs/dbraw/zinc/34/65/56/1095346556.db2.gz FVEJYXVBZUTFKZ-UHFFFAOYSA-N -2 1 344.776 2.752 20 0 EFADML Cc1oc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)cc1C(=O)[O-] ZINC001600855759 1095385767 /nfs/dbraw/zinc/38/57/67/1095385767.db2.gz ZBFZCENSFCUQIF-SECBINFHSA-N -2 1 343.323 2.542 20 0 EFADML O=C([O-])c1cnn(CC(=O)Nc2cc(Cl)c([O-])c3ccccc23)c1 ZINC001601379232 1095647865 /nfs/dbraw/zinc/64/78/65/1095647865.db2.gz FHZSDPIWILFKBN-UHFFFAOYSA-N -2 1 345.742 2.732 20 0 EFADML O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC001601410267 1095664098 /nfs/dbraw/zinc/66/40/98/1095664098.db2.gz LODKNUMWDXRBAH-WBMJQRKESA-N -2 1 343.379 2.545 20 0 EFADML O=C([O-])[C@]12CCC[C@H]1N(C(=O)NCc1ccc([O-])c(Cl)c1)CC2 ZINC001601540373 1095726495 /nfs/dbraw/zinc/72/64/95/1095726495.db2.gz YGIRWPPUWGDBPV-CJNGLKHVSA-N -2 1 338.791 2.584 20 0 EFADML O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1c([O-])cccc1Cl ZINC001601566273 1095734449 /nfs/dbraw/zinc/73/44/49/1095734449.db2.gz XGPREJKQJCWCGV-LBPRGKRZSA-N -2 1 337.734 2.610 20 0 EFADML O=C([O-])c1nsc([N-]C(=O)c2csc(-c3cccs3)n2)n1 ZINC001601634594 1095776021 /nfs/dbraw/zinc/77/60/21/1095776021.db2.gz BWFXMIFJPMKOAL-UHFFFAOYSA-N -2 1 338.395 2.674 20 0 EFADML O=C([O-])C12CCC(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)(CC1)C2 ZINC001601732582 1095871856 /nfs/dbraw/zinc/87/18/56/1095871856.db2.gz FTGAZDWAJGMPQI-UHFFFAOYSA-N -2 1 341.367 2.756 20 0 EFADML O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC001601804021 1095909513 /nfs/dbraw/zinc/90/95/13/1095909513.db2.gz KMFKYJVQOZEWCQ-IUCAKERBSA-N -2 1 342.189 2.984 20 0 EFADML O=C([O-])CCCOc1ccc(CNC(=O)c2cccc([O-])c2F)cc1 ZINC001601998165 1096013953 /nfs/dbraw/zinc/01/39/53/1096013953.db2.gz WWWZLEQJIMXXIY-UHFFFAOYSA-N -2 1 347.342 2.705 20 0 EFADML O=C([O-])CCCc1nnc([N-]C(=O)c2ccoc2C(F)(F)F)s1 ZINC001602003195 1096017072 /nfs/dbraw/zinc/01/70/72/1096017072.db2.gz HJHXQRXNGHHRBW-UHFFFAOYSA-N -2 1 349.290 2.810 20 0 EFADML O=C([O-])CN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)CC1CC1 ZINC001602058094 1096045997 /nfs/dbraw/zinc/04/59/97/1096045997.db2.gz HVPSZSDLDXXLAW-UHFFFAOYSA-N -2 1 329.352 2.941 20 0 EFADML O=C([O-])Cc1occc1C(=O)Nc1cccc([O-])c1Br ZINC001602155876 1096095856 /nfs/dbraw/zinc/09/58/56/1096095856.db2.gz DWNOEUZBVYMSAW-UHFFFAOYSA-N -2 1 340.129 2.627 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)oc1Cl ZINC001602297675 1096164996 /nfs/dbraw/zinc/16/49/96/1096164996.db2.gz GJLDFFLFJDHLHM-GXSJLCMTSA-N -2 1 347.820 2.878 20 0 EFADML O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ncccc1Cl ZINC001602363329 1096206129 /nfs/dbraw/zinc/20/61/29/1096206129.db2.gz PMSPDWKPANKXRW-UHFFFAOYSA-N -2 1 347.179 2.887 20 0 EFADML O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1ccc(Cl)cc1[O-])C2 ZINC001602424118 1096237922 /nfs/dbraw/zinc/23/79/22/1096237922.db2.gz QEUUNUNBKOIVON-UHFFFAOYSA-N -2 1 347.754 2.779 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1 ZINC001603112698 1096448228 /nfs/dbraw/zinc/44/82/28/1096448228.db2.gz VRUUQEBWIHCZLF-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML CC(C)(C(=O)[O-])C(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC001603242069 1096482137 /nfs/dbraw/zinc/48/21/37/1096482137.db2.gz LTZLRSQQBHBOAQ-UHFFFAOYSA-N -2 1 332.381 2.621 20 0 EFADML CC(C)CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CC1 ZINC001603783985 1096626537 /nfs/dbraw/zinc/62/65/37/1096626537.db2.gz MYGVRKCRIISSFE-UHFFFAOYSA-N -2 1 335.809 2.736 20 0 EFADML C[C@H](Oc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1F)C(=O)[O-] ZINC001604439281 1096853701 /nfs/dbraw/zinc/85/37/01/1096853701.db2.gz PZHJYDKSEBUOEN-QMMMGPOBSA-N -2 1 337.278 2.775 20 0 EFADML C[C@]1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC001604590090 1096909884 /nfs/dbraw/zinc/90/98/84/1096909884.db2.gz NTPNRKOKLWQYED-BZNIZROVSA-N -2 1 325.792 2.738 20 0 EFADML C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C[C@@H](C)C1 ZINC001604654642 1096925070 /nfs/dbraw/zinc/92/50/70/1096925070.db2.gz GPBYEDCMEMMNEU-BRPSZJMVSA-N -2 1 335.809 2.734 20 0 EFADML C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C[C@@H]1C ZINC001604706639 1096936339 /nfs/dbraw/zinc/93/63/39/1096936339.db2.gz PABFTJAXEAPAGU-YWVKMMECSA-N -2 1 347.383 2.766 20 0 EFADML CC[C@](C)([N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-])C(F)(F)F ZINC001604914981 1096981320 /nfs/dbraw/zinc/98/13/20/1096981320.db2.gz QPNDAZKABWCVEV-NSHDSACASA-N -2 1 343.298 2.533 20 0 EFADML CCC(CC)(CC(=O)[O-])NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001604991967 1096995776 /nfs/dbraw/zinc/99/57/76/1096995776.db2.gz YQGZXSWFRJODNS-UHFFFAOYSA-N -2 1 334.347 2.843 20 0 EFADML CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-])C(F)(F)F ZINC001605762811 1097218717 /nfs/dbraw/zinc/21/87/17/1097218717.db2.gz FBJDOWKOXCIDNU-QMMMGPOBSA-N -2 1 345.726 2.657 20 0 EFADML CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)s1 ZINC001605789489 1097225745 /nfs/dbraw/zinc/22/57/45/1097225745.db2.gz YTOHZNTUYOSMGR-JTQLQIEISA-N -2 1 349.474 2.812 20 0 EFADML CCCc1cnc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc1 ZINC001167932722 1097319508 /nfs/dbraw/zinc/31/95/08/1097319508.db2.gz VXRYPEOIZXIDPL-UHFFFAOYSA-N -2 1 333.328 2.514 20 0 EFADML O=P([O-])([O-])C1(Nc2cccc3ocnc32)Cc2ccccc2C1 ZINC001167936082 1097349239 /nfs/dbraw/zinc/34/92/39/1097349239.db2.gz HLLWJYCFPVXQKB-UHFFFAOYSA-N -2 1 330.280 2.913 20 0 EFADML Cn1ccc2ncc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)cc21 ZINC001167938978 1097381467 /nfs/dbraw/zinc/38/14/67/1097381467.db2.gz KSTXTPIOPDTBSE-UHFFFAOYSA-N -2 1 343.323 2.658 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001606968779 1097484811 /nfs/dbraw/zinc/48/48/11/1097484811.db2.gz OHMDHRLXCXJBNZ-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML CSc1ccc([O-])c(C(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC001607410420 1097622627 /nfs/dbraw/zinc/62/26/27/1097622627.db2.gz ZDUJEBYLLVONOV-UHFFFAOYSA-N -2 1 333.365 2.830 20 0 EFADML Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC001607661638 1097693030 /nfs/dbraw/zinc/69/30/30/1097693030.db2.gz YMHSFIQPVYXZBL-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1cnc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c([O-])c1 ZINC001607902893 1097772669 /nfs/dbraw/zinc/77/26/69/1097772669.db2.gz GIKHBMRRBVNYSB-UONOGXRCSA-N -2 1 332.400 2.591 20 0 EFADML O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001608396149 1097910721 /nfs/dbraw/zinc/91/07/21/1097910721.db2.gz VVWGZMUVKPQSGA-MLGOLLRUSA-N -2 1 343.379 2.545 20 0 EFADML O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001608396146 1097911169 /nfs/dbraw/zinc/91/11/69/1097911169.db2.gz VVWGZMUVKPQSGA-LRDDRELGSA-N -2 1 343.379 2.545 20 0 EFADML O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc4ccccc4cc3[O-])[C@@H]2C1 ZINC001608494214 1097931807 /nfs/dbraw/zinc/93/18/07/1097931807.db2.gz WSIDRPVEBYMZAA-CTASWTNQSA-N -2 1 325.364 2.775 20 0 EFADML O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001608505301 1097934598 /nfs/dbraw/zinc/93/45/98/1097934598.db2.gz LSJLMCFERWQPBO-VHSXEESVSA-N -2 1 342.189 2.984 20 0 EFADML O=C([O-])[C@H](NCc1ccc([O-])c(F)c1F)c1cc(F)ccc1F ZINC001608550519 1097950572 /nfs/dbraw/zinc/95/05/72/1097950572.db2.gz SCOHOCQAPWVEPX-CQSZACIVSA-N -2 1 329.249 2.864 20 0 EFADML O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C1CCCC1 ZINC001608674200 1097986325 /nfs/dbraw/zinc/98/63/25/1097986325.db2.gz PEVIWUAJYNAFLJ-VIFPVBQESA-N -2 1 337.344 2.529 20 0 EFADML O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1[O-] ZINC001608774494 1098017974 /nfs/dbraw/zinc/01/79/74/1098017974.db2.gz ZLMHFDZCEKYNFW-ZDUSSCGKSA-N -2 1 333.771 2.861 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)c1F ZINC001608850505 1098045247 /nfs/dbraw/zinc/04/52/47/1098045247.db2.gz TWNVSYPAQHZPSF-SNVBAGLBSA-N -2 1 345.367 2.688 20 0 EFADML O=C([O-])c1ccc2[nH]c(CNC(=O)c3ccc(Cl)cc3[O-])nc2c1 ZINC001608916934 1098070842 /nfs/dbraw/zinc/07/08/42/1098070842.db2.gz BPWZUIDVCQBFPK-UHFFFAOYSA-N -2 1 345.742 2.550 20 0 EFADML O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC001609027697 1098117135 /nfs/dbraw/zinc/11/71/35/1098117135.db2.gz MUJIHOLHWUPEOT-SFHVURJKSA-N -2 1 345.782 2.914 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC001609629363 1098409159 /nfs/dbraw/zinc/40/91/59/1098409159.db2.gz JABBNVLFBBTCMM-UHFFFAOYSA-N -2 1 342.347 2.621 20 0 EFADML C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001609810548 1098466010 /nfs/dbraw/zinc/46/60/10/1098466010.db2.gz TURXIICOZGCFNL-CQSZACIVSA-N -2 1 331.290 2.738 20 0 EFADML CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)C(F)F ZINC001609932276 1098497702 /nfs/dbraw/zinc/49/77/02/1098497702.db2.gz STWNFCJMSABAAJ-YFKPBYRVSA-N -2 1 347.792 2.730 20 0 EFADML CCOc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c(C)c1 ZINC001610044577 1098529713 /nfs/dbraw/zinc/52/97/13/1098529713.db2.gz LOBKZMDMNLPSHV-UHFFFAOYSA-N -2 1 341.410 2.954 20 0 EFADML CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1c([O-])cccc1Cl ZINC001610124643 1098553671 /nfs/dbraw/zinc/55/36/71/1098553671.db2.gz ROZVTQILOVBGOC-UHFFFAOYSA-N -2 1 349.770 2.781 20 0 EFADML COc1cc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc(Cl)c1[O-] ZINC001610280648 1098599180 /nfs/dbraw/zinc/59/91/80/1098599180.db2.gz NKKRPPDJBBKMFQ-LLVKDONJSA-N -2 1 341.772 2.671 20 0 EFADML COc1cc(C)c(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1C ZINC001610294484 1098605424 /nfs/dbraw/zinc/60/54/24/1098605424.db2.gz UDTVYZFAWYCMER-UHFFFAOYSA-N -2 1 341.410 2.873 20 0 EFADML Cc1ccccc1-c1nc(C(=O)[N-]c2nc(C(=O)[O-])ns2)cs1 ZINC001610527717 1098733411 /nfs/dbraw/zinc/73/34/11/1098733411.db2.gz JFMPTUYOJISONK-UHFFFAOYSA-N -2 1 346.393 2.921 20 0 EFADML Cc1csc([N-]S(=O)(=O)CCc2ccccc2)c1C(=O)[O-] ZINC001610548651 1098746486 /nfs/dbraw/zinc/74/64/86/1098746486.db2.gz XQLMRMONJWRURZ-UHFFFAOYSA-N -2 1 325.411 2.739 20 0 EFADML Cc1[nH]c(C(=O)[C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c(C)c1C(=O)[O-] ZINC001610561241 1098755069 /nfs/dbraw/zinc/75/50/69/1098755069.db2.gz ZKHDWNLCXVBSCU-JTQLQIEISA-N -2 1 349.412 2.806 20 0 EFADML O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc([O-])c(F)c2)c1O ZINC001610704625 1098835109 /nfs/dbraw/zinc/83/51/09/1098835109.db2.gz YYIZAVWYOLDNCI-UHFFFAOYSA-N -2 1 325.679 2.841 20 0 EFADML O=C([O-])C[C@@H](NC(=O)c1cncc([O-])c1)c1cccc2ccccc21 ZINC001610790666 1098889293 /nfs/dbraw/zinc/88/92/93/1098889293.db2.gz FRRHSJBQZSVYPT-QGZVFWFLSA-N -2 1 336.347 2.886 20 0 EFADML O=C([O-])c1cccn2cc(CSc3nc(C4CC4)cc(=O)[n-]3)nc12 ZINC001610856030 1098939334 /nfs/dbraw/zinc/93/93/34/1098939334.db2.gz HIONLKHYPNJPEU-UHFFFAOYSA-N -2 1 342.380 2.698 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000047030377 213827827 /nfs/dbraw/zinc/82/78/27/213827827.db2.gz XRGJVSNCFYGOMD-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000037463834 213148592 /nfs/dbraw/zinc/14/85/92/213148592.db2.gz IIYCHXIQKUBIDL-RXMQYKEDSA-N -2 1 346.619 2.788 20 0 EFADML O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000020301742 212118166 /nfs/dbraw/zinc/11/81/66/212118166.db2.gz IHJREZBFLBTPBY-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML CCOc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc(Cl)c1[O-] ZINC000262660248 245105486 /nfs/dbraw/zinc/10/54/86/245105486.db2.gz MSXQBKQBWDQKFC-UFBFGSQYSA-N -2 1 329.780 2.673 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1F ZINC000427329487 247338051 /nfs/dbraw/zinc/33/80/51/247338051.db2.gz HPPYGLBMGZSEEM-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000013278617 211540447 /nfs/dbraw/zinc/54/04/47/211540447.db2.gz SCOCQRICXJVEJP-UHFFFAOYSA-N -2 1 341.335 2.783 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1OC(C)C ZINC000266051777 248062944 /nfs/dbraw/zinc/06/29/44/248062944.db2.gz GHVIMVWWDVQNGW-UHFFFAOYSA-N -2 1 338.385 2.609 20 0 EFADML Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442845422 250129645 /nfs/dbraw/zinc/12/96/45/250129645.db2.gz HVQWAHTZIDCZIZ-UHFFFAOYSA-N -2 1 347.348 2.946 20 0 EFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000005134747 210396264 /nfs/dbraw/zinc/39/62/64/210396264.db2.gz PNCPWNKRCHPNIW-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML Cc1cc(C(=O)NCCCC2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000344618754 142050441 /nfs/dbraw/zinc/05/04/41/142050441.db2.gz QRNZTROBCGPCAB-UHFFFAOYSA-N -2 1 344.415 2.835 20 0 EFADML O=C(N=c1nc(-c2ccccc2)[n-]s1)c1c(F)ccc([O-])c1F ZINC000347805683 142274422 /nfs/dbraw/zinc/27/44/22/142274422.db2.gz PYGYRKAGYAXPPS-UHFFFAOYSA-N -2 1 333.319 2.863 20 0 EFADML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000349917334 142378558 /nfs/dbraw/zinc/37/85/58/142378558.db2.gz RVDFPJINMVWKCW-UHFFFAOYSA-N -2 1 349.364 2.531 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000341288597 145026920 /nfs/dbraw/zinc/02/69/20/145026920.db2.gz XXFFJRIPZIBTDJ-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1C(=O)[O-] ZINC000342289139 145093884 /nfs/dbraw/zinc/09/38/84/145093884.db2.gz VYUABTRWSFOKRI-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1C(=O)[O-] ZINC000348868627 146016991 /nfs/dbraw/zinc/01/69/91/146016991.db2.gz YHBCZUIOMALSMS-UHFFFAOYSA-N -2 1 339.344 2.593 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1Cl ZINC000348885254 146019881 /nfs/dbraw/zinc/01/98/81/146019881.db2.gz SEBWUVRVUJPXCP-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(C)c1F ZINC000350729990 146084887 /nfs/dbraw/zinc/08/48/87/146084887.db2.gz PGFMPIHOLGMNNC-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc2n[nH]cc21 ZINC000350842062 146095680 /nfs/dbraw/zinc/09/56/80/146095680.db2.gz YKBQVXHYOVDCME-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000351829785 146213558 /nfs/dbraw/zinc/21/35/58/146213558.db2.gz PEARTBAWYTUGAZ-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000231726315 293603979 /nfs/dbraw/zinc/60/39/79/293603979.db2.gz MYUPXXMALIFAJD-LURJTMIESA-N -2 1 344.191 2.664 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2C(=O)[O-])cc1 ZINC000321919763 311238889 /nfs/dbraw/zinc/23/88/89/311238889.db2.gz ITFVPVKWHJRABU-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1 ZINC000538139589 317689379 /nfs/dbraw/zinc/68/93/79/317689379.db2.gz YYBJATSXTWRUCD-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548260772 318087044 /nfs/dbraw/zinc/08/70/44/318087044.db2.gz QHOYXPHKIDOCHO-GFCCVEGCSA-N -2 1 325.386 2.601 20 0 EFADML Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000548477974 318112427 /nfs/dbraw/zinc/11/24/27/318112427.db2.gz GNMOCNMBWXZIBC-UHFFFAOYSA-N -2 1 346.364 2.681 20 0 EFADML C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cccc(F)c2F)(CC(=O)[O-])C1 ZINC000548548320 318118791 /nfs/dbraw/zinc/11/87/91/318118791.db2.gz DCVKQVVGAXWULR-BMIGLBTASA-N -2 1 347.383 2.524 20 0 EFADML O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(F)cc2F)c1F ZINC000548593087 318121459 /nfs/dbraw/zinc/12/14/59/318121459.db2.gz RCWGLUUQKMTPKE-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2cc3ccccc3o2)(C(=O)[O-])C1 ZINC000548771114 318141957 /nfs/dbraw/zinc/14/19/57/318141957.db2.gz UWWBUIXYNMAQKZ-BDJLRTHQSA-N -2 1 337.397 2.745 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c(F)c1 ZINC000576816948 320050987 /nfs/dbraw/zinc/05/09/87/320050987.db2.gz QLWMQXJCZICDLP-IUODEOHRSA-N -2 1 347.383 2.585 20 0 EFADML CC(C)=CCC[C@@H](C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000296843415 323647516 /nfs/dbraw/zinc/64/75/16/323647516.db2.gz ICURQJXKTLRDEQ-LLVKDONJSA-N -2 1 330.388 2.609 20 0 EFADML CC(C)(CC[N-]S(=O)(=O)c1sccc1Cl)CCC(=O)[O-] ZINC000581354420 324357599 /nfs/dbraw/zinc/35/75/99/324357599.db2.gz CZZNUBMLVFFNRG-UHFFFAOYSA-N -2 1 339.866 2.961 20 0 EFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000007405639 471612114 /nfs/dbraw/zinc/61/21/14/471612114.db2.gz WTUKXOMLLIAYSZ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000008104549 471662082 /nfs/dbraw/zinc/66/20/82/471662082.db2.gz UYUQQNCSXAZBSR-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1C ZINC000012530500 471778179 /nfs/dbraw/zinc/77/81/79/471778179.db2.gz SLEDQHWOUOEYGM-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000013348636 471826613 /nfs/dbraw/zinc/82/66/13/471826613.db2.gz XUZQQUQXOPCCOC-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000013464631 471830888 /nfs/dbraw/zinc/83/08/88/471830888.db2.gz ZYARKVCBIIUXEL-UHFFFAOYSA-N -2 1 331.393 2.983 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000036833356 472007272 /nfs/dbraw/zinc/00/72/72/472007272.db2.gz FHDCVIWCNMMZSV-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1F ZINC000042122711 472114948 /nfs/dbraw/zinc/11/49/48/472114948.db2.gz AHOVEQNGYLUJTN-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C(CSc1n[n-]c(=NCC(F)(F)F)s1)c1ccc([O-])cc1 ZINC000622258507 479967877 /nfs/dbraw/zinc/96/78/77/479967877.db2.gz UEWOBTZCCLHTLA-UHFFFAOYSA-N -2 1 349.359 2.615 20 0 EFADML COCc1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000026547512 472142241 /nfs/dbraw/zinc/14/22/41/472142241.db2.gz LFTWLMMDYIRERA-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000084147148 472150582 /nfs/dbraw/zinc/15/05/82/472150582.db2.gz ZUIRMDPRSYOULF-UHFFFAOYSA-N -2 1 332.230 2.587 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1 ZINC000042793435 472170453 /nfs/dbraw/zinc/17/04/53/472170453.db2.gz LSOQGRXLROQWJM-UHFFFAOYSA-N -2 1 343.307 2.787 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1COC ZINC000042792532 472170466 /nfs/dbraw/zinc/17/04/66/472170466.db2.gz DNJGAHCVERNKNW-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000043317969 472222935 /nfs/dbraw/zinc/22/29/35/472222935.db2.gz YPVHTUZDBFOKNP-UHFFFAOYSA-N -2 1 347.801 2.909 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000045945798 472489190 /nfs/dbraw/zinc/48/91/90/472489190.db2.gz NLCORKOEBJFPFU-UHFFFAOYSA-N -2 1 347.392 2.951 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)ccc1F ZINC000058391940 472559951 /nfs/dbraw/zinc/55/99/51/472559951.db2.gz ZNBOVZNZMPBRCB-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1C ZINC000071946539 472625270 /nfs/dbraw/zinc/62/52/70/472625270.db2.gz BSGVUJHULHQHRM-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1 ZINC000047202333 472669963 /nfs/dbraw/zinc/66/99/63/472669963.db2.gz NQIJWFVTFPNZSI-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1F ZINC000047202368 472670058 /nfs/dbraw/zinc/67/00/58/472670058.db2.gz AYFSOXMBYHWEKY-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000060800246 472678793 /nfs/dbraw/zinc/67/87/93/472678793.db2.gz ITDWNILMQDEFQS-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000064365824 472847522 /nfs/dbraw/zinc/84/75/22/472847522.db2.gz KTNGWTMIOJXAHQ-UHFFFAOYSA-N -2 1 348.355 2.813 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1C(=O)[O-] ZINC000066290461 473070060 /nfs/dbraw/zinc/07/00/60/473070060.db2.gz RYFLFHNPGXAFSS-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC000263540178 473771882 /nfs/dbraw/zinc/77/18/82/473771882.db2.gz CDRTUDXINZOSBD-SECBINFHSA-N -2 1 344.191 2.520 20 0 EFADML Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000187012133 473801310 /nfs/dbraw/zinc/80/13/10/473801310.db2.gz DTRDQJIZXWNMFR-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)CC(=O)[O-] ZINC000274992164 474034020 /nfs/dbraw/zinc/03/40/20/474034020.db2.gz KYHGDHZTAKNPML-ZCFIWIBFSA-N -2 1 346.257 2.834 20 0 EFADML O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000275366248 474160146 /nfs/dbraw/zinc/16/01/46/474160146.db2.gz YDFNTGUKGNYUPH-UHFFFAOYSA-N -2 1 335.372 2.668 20 0 EFADML CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000231726399 474264123 /nfs/dbraw/zinc/26/41/23/474264123.db2.gz OLVCQPRCOFIHIE-UHFFFAOYSA-N -2 1 344.191 2.664 20 0 EFADML CCCC[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC000233000994 474266504 /nfs/dbraw/zinc/26/65/04/474266504.db2.gz CUHBCQLAQQNKJY-JTQLQIEISA-N -2 1 330.178 2.528 20 0 EFADML CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000266800617 474486682 /nfs/dbraw/zinc/48/66/82/474486682.db2.gz AQMOHFGLMFMNKM-GWCFXTLKSA-N -2 1 344.415 2.785 20 0 EFADML C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000184656176 474576130 /nfs/dbraw/zinc/57/61/30/474576130.db2.gz SWBQQZAHDISZPK-LLVKDONJSA-N -2 1 337.372 2.890 20 0 EFADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000315358087 474870783 /nfs/dbraw/zinc/87/07/83/474870783.db2.gz ANSYJZSFZXMZKP-UHFFFAOYSA-N -2 1 335.259 2.504 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000315484088 474870887 /nfs/dbraw/zinc/87/08/87/474870887.db2.gz DXTHUVPKRCRCCV-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000319476715 474900645 /nfs/dbraw/zinc/90/06/45/474900645.db2.gz XHIYNDBUEWEIDV-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000339075079 474903809 /nfs/dbraw/zinc/90/38/09/474903809.db2.gz LIZPTAZFCMJARS-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000320092513 474906156 /nfs/dbraw/zinc/90/61/56/474906156.db2.gz AFDBTPAAUPRVGP-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000322896977 474943038 /nfs/dbraw/zinc/94/30/38/474943038.db2.gz CFZINHKGSHKMMF-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000322863329 474943577 /nfs/dbraw/zinc/94/35/77/474943577.db2.gz NIPXRXCHNURXKT-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1F ZINC000323513975 474949505 /nfs/dbraw/zinc/94/95/05/474949505.db2.gz GKXMNNRRCHURCG-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)ccc1C(=O)[O-] ZINC000324070017 474959673 /nfs/dbraw/zinc/95/96/73/474959673.db2.gz XRKXPIVOLRBZDP-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC000324399288 474967413 /nfs/dbraw/zinc/96/74/13/474967413.db2.gz RYVXZVHLFBIZOL-UHFFFAOYSA-N -2 1 344.348 2.841 20 0 EFADML CSc1cccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000337760014 475301957 /nfs/dbraw/zinc/30/19/57/475301957.db2.gz OIBVMASZQLBDKQ-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML CC(C)=CCC[C@H](C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000296843418 475501825 /nfs/dbraw/zinc/50/18/25/475501825.db2.gz ICURQJXKTLRDEQ-NSHDSACASA-N -2 1 330.388 2.609 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000338125973 475608280 /nfs/dbraw/zinc/60/82/80/475608280.db2.gz RPMFMSWNPUGQDA-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000297143443 475628793 /nfs/dbraw/zinc/62/87/93/475628793.db2.gz IJLBIWFXLAGQEH-ZYHUDNBSSA-N -2 1 347.383 2.667 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])ccc1F ZINC000346821306 475885897 /nfs/dbraw/zinc/88/58/97/475885897.db2.gz FRZOOBWYMBOUBG-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(F)c1 ZINC000361985959 475917145 /nfs/dbraw/zinc/91/71/45/475917145.db2.gz OQKDHYVYLWNURO-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C(=O)[O-])c1 ZINC000359018103 476117672 /nfs/dbraw/zinc/11/76/72/476117672.db2.gz KXPRDRVSEDYDOZ-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(C)c1 ZINC000362305268 476155554 /nfs/dbraw/zinc/15/55/54/476155554.db2.gz LQXNHJMTITWUEZ-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1C1CC1 ZINC000359084795 476173935 /nfs/dbraw/zinc/17/39/35/476173935.db2.gz IEZAWQPTFPTCNG-UHFFFAOYSA-N -2 1 334.397 2.710 20 0 EFADML CO[C@H](C)c1nc(=NC(=O)Nc2ccc([O-])c(Cl)c2)s[n-]1 ZINC000350653933 476281962 /nfs/dbraw/zinc/28/19/62/476281962.db2.gz RGTBTNWQZQPKTM-ZCFIWIBFSA-N -2 1 328.781 2.670 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000354196724 476494375 /nfs/dbraw/zinc/49/43/75/476494375.db2.gz XJAQTLHMQAHMBR-UHFFFAOYSA-N -2 1 334.378 2.795 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1C(=O)[O-] ZINC000387152223 476770531 /nfs/dbraw/zinc/77/05/31/476770531.db2.gz YWMJLMAJXURKDB-UHFFFAOYSA-N -2 1 327.383 2.564 20 0 EFADML CC(C)(CC[N-]S(=O)(=O)c1cc(F)ccc1F)CCC(=O)[O-] ZINC000387819584 476775341 /nfs/dbraw/zinc/77/53/41/476775341.db2.gz UVZOXRWVCCNXBA-UHFFFAOYSA-N -2 1 335.372 2.524 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000410059882 476998621 /nfs/dbraw/zinc/99/86/21/476998621.db2.gz SJBAJCUQSULTQB-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML CCc1[n-][nH]c(=NC(=O)c2cc(Cl)ccc2[O-])c1Br ZINC000436581873 477523089 /nfs/dbraw/zinc/52/30/89/477523089.db2.gz GKTFJEADPFVXIU-UHFFFAOYSA-N -2 1 344.596 2.768 20 0 EFADML O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000582039659 478494770 /nfs/dbraw/zinc/49/47/70/478494770.db2.gz YVEBOMUUWUCBIY-SKDRFNHKSA-N -2 1 349.811 2.791 20 0 EFADML CC(C)(C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000572218718 478778046 /nfs/dbraw/zinc/77/80/46/478778046.db2.gz MTYKTMWBIZHDLO-UHFFFAOYSA-N -2 1 347.845 2.944 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC000507568935 478927826 /nfs/dbraw/zinc/92/78/26/478927826.db2.gz UYNDYCLNCRNLDR-UHFFFAOYSA-N -2 1 342.804 2.740 20 0 EFADML C[C@@]1([N-]S(=O)(=O)c2cc3ccccc3o2)CCCC[C@@H]1C(=O)[O-] ZINC000574397398 479279367 /nfs/dbraw/zinc/27/93/67/479279367.db2.gz MUDFTHDJZBKAKC-MLGOLLRUSA-N -2 1 337.397 2.745 20 0 EFADML Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000588834234 479445729 /nfs/dbraw/zinc/44/57/29/479445729.db2.gz BYUMPRPHWLUSKV-UHFFFAOYSA-N -2 1 330.365 2.677 20 0 EFADML CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(=O)[O-] ZINC000630442408 480714839 /nfs/dbraw/zinc/71/48/39/480714839.db2.gz LNQAXABAAJTTFN-QMMMGPOBSA-N -2 1 339.360 2.775 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC000663045532 482046040 /nfs/dbraw/zinc/04/60/40/482046040.db2.gz WPGGMJKLBWBIKX-AWEZNQCLSA-N -2 1 342.189 2.903 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)s1 ZINC000063009538 524017394 /nfs/dbraw/zinc/01/73/94/524017394.db2.gz UKYMPLWPHIQHAH-UHFFFAOYSA-N -2 1 329.374 2.949 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(C)s1 ZINC000087844878 525423555 /nfs/dbraw/zinc/42/35/55/525423555.db2.gz IESDOVFQVGDECP-UHFFFAOYSA-N -2 1 325.411 2.793 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000078677322 526236462 /nfs/dbraw/zinc/23/64/62/526236462.db2.gz BIPLHXNPQJNGLU-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000192890513 526397971 /nfs/dbraw/zinc/39/79/71/526397971.db2.gz MPZGFYUECSOPBB-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000322605460 545819058 /nfs/dbraw/zinc/81/90/58/545819058.db2.gz XYVJCYOYWSEDKN-UHFFFAOYSA-N -2 1 337.401 2.515 20 0 EFADML CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)ccc1C ZINC000324296906 545820446 /nfs/dbraw/zinc/82/04/46/545820446.db2.gz PUUAHPMSRBRILD-UHFFFAOYSA-N -2 1 336.413 2.878 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc(C(=O)[O-])c1 ZINC000507553060 546295813 /nfs/dbraw/zinc/29/58/13/546295813.db2.gz QVTSZOCAVXOHLG-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c1 ZINC000673885098 547980727 /nfs/dbraw/zinc/98/07/27/547980727.db2.gz JGXLLMNRSYHVBU-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML O=C(NCc1ccc(O)c(Br)c1)c1ccc([O-])c(F)c1 ZINC000681058320 549453415 /nfs/dbraw/zinc/45/34/15/549453415.db2.gz NCRLHSUZRBHAAT-UHFFFAOYSA-N -2 1 340.148 2.929 20 0 EFADML O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761966226 576234720 /nfs/dbraw/zinc/23/47/20/576234720.db2.gz VFIIKRYQEDRVOB-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1F ZINC000769889193 577391684 /nfs/dbraw/zinc/39/16/84/577391684.db2.gz FEPRDJXELVXXTB-UHFFFAOYSA-N -2 1 345.373 2.703 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(F)cc1F ZINC000740086864 577423586 /nfs/dbraw/zinc/42/35/86/577423586.db2.gz BHZUERGUNYQUBM-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1 ZINC000818132181 597332205 /nfs/dbraw/zinc/33/22/05/597332205.db2.gz HRPDKXUIXGNORV-UHFFFAOYSA-N -2 1 347.392 2.707 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)s1 ZINC000061093780 599851921 /nfs/dbraw/zinc/85/19/21/599851921.db2.gz CSGXVKSQFNIZOS-UHFFFAOYSA-N -2 1 337.300 2.664 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)ccc1F ZINC000738477044 599886163 /nfs/dbraw/zinc/88/61/63/599886163.db2.gz BJXFIQSUJWTLFW-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000739873534 599927057 /nfs/dbraw/zinc/92/70/57/599927057.db2.gz DOEQCSCSNILLFM-UHFFFAOYSA-N -2 1 337.422 2.805 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(F)c1 ZINC000738632479 600229351 /nfs/dbraw/zinc/22/93/51/600229351.db2.gz AEQJBIOORAUDPB-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1cc([N-]S(=O)(=O)Cc2cccc(F)c2)sc1C(=O)[O-] ZINC000738241663 600254527 /nfs/dbraw/zinc/25/45/27/600254527.db2.gz YGVRNBUJDXYGPE-UHFFFAOYSA-N -2 1 329.374 2.836 20 0 EFADML CN(Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)C(=O)[O-] ZINC000737485806 600299849 /nfs/dbraw/zinc/29/98/49/600299849.db2.gz GPTKDVGLJYZDQV-UHFFFAOYSA-N -2 1 338.360 2.736 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1F ZINC000738655503 600303023 /nfs/dbraw/zinc/30/30/23/600303023.db2.gz YNSNOIOLTYIHMS-UHFFFAOYSA-N -2 1 338.360 2.703 20 0 EFADML O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000405431401 600318984 /nfs/dbraw/zinc/31/89/84/600318984.db2.gz ZCUQWZFZDJHDLN-OAHLLOKOSA-N -2 1 325.364 2.872 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000740239487 600784617 /nfs/dbraw/zinc/78/46/17/600784617.db2.gz BOOPOIXGWRGBCA-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC000825956750 601073539 /nfs/dbraw/zinc/07/35/39/601073539.db2.gz DFVKJBKEEJEXAS-UHFFFAOYSA-N -2 1 345.351 2.637 20 0 EFADML COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000831946278 601150421 /nfs/dbraw/zinc/15/04/21/601150421.db2.gz RBGVHWZTGVOSOX-UHFFFAOYSA-N -2 1 347.801 2.909 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832994305 601197088 /nfs/dbraw/zinc/19/70/88/601197088.db2.gz QNUKGEZMSFDKME-UHFFFAOYSA-N -2 1 330.344 2.956 20 0 EFADML CSc1ccc([C@@H](CC(=O)[O-])[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000832777079 601283261 /nfs/dbraw/zinc/28/32/61/601283261.db2.gz CAUBJBFKJZTRSE-SECBINFHSA-N -2 1 339.310 2.941 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000028913665 601317163 /nfs/dbraw/zinc/31/71/63/601317163.db2.gz NQXKPSHAMBGGDO-JXMROGBWSA-N -2 1 333.365 2.594 20 0 EFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000832888620 601330260 /nfs/dbraw/zinc/33/02/60/601330260.db2.gz YUIGWAFSSMUOIM-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CC1 ZINC000137202440 601573826 /nfs/dbraw/zinc/57/38/26/601573826.db2.gz ISFXGHHRBBROST-ZCFIWIBFSA-N -2 1 344.241 2.587 20 0 EFADML O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000833348302 601605845 /nfs/dbraw/zinc/60/58/45/601605845.db2.gz SLCWLIQMYAZTJL-UHFFFAOYSA-N -2 1 349.393 2.637 20 0 EFADML CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)[nH]n1 ZINC000317359032 601629454 /nfs/dbraw/zinc/62/94/54/601629454.db2.gz BSKKHENVJLXGFU-UHFFFAOYSA-N -2 1 343.792 2.686 20 0 EFADML O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccc1F ZINC000833165641 601821255 /nfs/dbraw/zinc/82/12/55/601821255.db2.gz BEZJJRWBICVHIL-ZDUSSCGKSA-N -2 1 341.260 2.999 20 0 EFADML O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000833294187 601855619 /nfs/dbraw/zinc/85/56/19/601855619.db2.gz HORDQRJATNMRLZ-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])ccc1F ZINC000832899736 601861662 /nfs/dbraw/zinc/86/16/62/601861662.db2.gz PRJXIOZANRCZCY-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)[nH]n1 ZINC000829430809 602102810 /nfs/dbraw/zinc/10/28/10/602102810.db2.gz PEWMQZKNAHWNBS-UHFFFAOYSA-N -2 1 337.401 2.560 20 0 EFADML O=P([O-])([O-])OCCNc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001168596171 1258384028 /nfs/dbraw/zinc/38/40/28/1258384028.db2.gz QJTJYSBCEWHXAW-UHFFFAOYSA-N -2 1 333.284 2.751 20 0 EFADML Cc1cc(C(=O)NCC2CCCCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000746146046 1271829518 /nfs/dbraw/zinc/82/95/18/1271829518.db2.gz AYUONFRFHLETGG-UHFFFAOYSA-N -2 1 344.415 2.835 20 0 EFADML O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1c(F)cc([O-])cc1F ZINC000746984626 1277984380 /nfs/dbraw/zinc/98/43/80/1277984380.db2.gz GHOJMKNMXYAWMP-UHFFFAOYSA-N -2 1 348.257 2.839 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1Cl ZINC000871964407 1287376514 /nfs/dbraw/zinc/37/65/14/1287376514.db2.gz YDAFYUZRAFDXHK-LURJTMIESA-N -2 1 345.726 2.576 20 0 EFADML O=C(Nc1cc(=O)[n-]c(Cl)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148795295 1281762101 /nfs/dbraw/zinc/76/21/01/1281762101.db2.gz YGICEGICBNPKMW-UHFFFAOYSA-N -2 1 333.653 2.812 20 0 EFADML C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c2ccccc21 ZINC001148927777 1281825159 /nfs/dbraw/zinc/82/51/59/1281825159.db2.gz SUMGWNGUAMQGKX-BMIGLBTASA-N -2 1 347.392 2.617 20 0 EFADML Cc1ccc(C(C)C)c(OCC(=O)NCCCC[P@](=O)([O-])O)c1 ZINC001180511926 1289543805 /nfs/dbraw/zinc/54/38/05/1289543805.db2.gz CROCVUMOPKNFFV-UHFFFAOYSA-N -2 1 343.360 2.571 20 0 EFADML COc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC001185905903 1290782940 /nfs/dbraw/zinc/78/29/40/1290782940.db2.gz BCCLXVXMZAGJBF-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc3ncoc3c2)cc1 ZINC001192100457 1292774597 /nfs/dbraw/zinc/77/45/97/1292774597.db2.gz QQDLGGKXODDUSS-UHFFFAOYSA-N -2 1 346.364 2.646 20 0 EFADML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc3ocnc3c2)cc1 ZINC001192132114 1292788532 /nfs/dbraw/zinc/78/85/32/1292788532.db2.gz WDWAKAYSJLDEED-UHFFFAOYSA-N -2 1 346.364 2.646 20 0 EFADML O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(F)c(F)c1[O-] ZINC001192797988 1293049749 /nfs/dbraw/zinc/04/97/49/1293049749.db2.gz ZQRKIUWPPUBPMK-UHFFFAOYSA-N -2 1 331.278 2.814 20 0 EFADML CCCC[C@H](C)NC(=O)NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001193075232 1293152284 /nfs/dbraw/zinc/15/22/84/1293152284.db2.gz NFRALJXVJPKAAY-LBPRGKRZSA-N -2 1 340.360 2.537 20 0 EFADML CCCC[C@H](C)NC(=O)NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001193075232 1293152289 /nfs/dbraw/zinc/15/22/89/1293152289.db2.gz NFRALJXVJPKAAY-LBPRGKRZSA-N -2 1 340.360 2.537 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc(C(=O)[O-])c1F ZINC000133010625 1293749664 /nfs/dbraw/zinc/74/96/64/1293749664.db2.gz UAGXDBJRSHWJIV-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885677873 1294469891 /nfs/dbraw/zinc/46/98/91/1294469891.db2.gz BQGOIXYYANYGFZ-UHFFFAOYSA-N -2 1 342.676 2.580 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC2=O ZINC001198782205 1295227963 /nfs/dbraw/zinc/22/79/63/1295227963.db2.gz DHRHZBHAAQYEGX-UHFFFAOYSA-N -2 1 345.376 2.705 20 0 EFADML COc1cc(/C=C/C(=O)c2ccc([O-])cc2)ccc1OCC(=O)[O-] ZINC000016405719 1313336635 /nfs/dbraw/zinc/33/66/35/1313336635.db2.gz MSQNPRFJRWUVBU-KRXBUXKQSA-N -2 1 328.320 2.760 20 0 EFADML O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)CC1CCCC1 ZINC000776552511 1299446678 /nfs/dbraw/zinc/44/66/78/1299446678.db2.gz NPAWSDCMCSFZHL-NSHDSACASA-N -2 1 347.383 2.524 20 0 EFADML O=S(=O)([N-]c1ccccn1)c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240695730 1314062117 /nfs/dbraw/zinc/06/21/17/1314062117.db2.gz OXQXGCBSUALLBD-UHFFFAOYSA-N -2 1 345.355 2.789 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(-c3cc(F)ccc3[O-])nc2)no1 ZINC001240695822 1314062193 /nfs/dbraw/zinc/06/21/93/1314062193.db2.gz TZJYLMKEPPJQHU-UHFFFAOYSA-N -2 1 349.343 2.691 20 0 EFADML COC(=O)c1nc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)nc2[n-]1 ZINC001241349464 1314112452 /nfs/dbraw/zinc/11/24/52/1314112452.db2.gz DYAAXSAVCWZAEH-UHFFFAOYSA-N -2 1 331.715 2.763 20 0 EFADML Cc1c(F)cc(C(=O)[O-])cc1Nc1nc[n-]c(=O)c1Br ZINC001210006529 1314270905 /nfs/dbraw/zinc/27/09/05/1314270905.db2.gz CZASXWRYHGJHGJ-UHFFFAOYSA-N -2 1 342.124 2.834 20 0 EFADML COC(=O)c1nc2ccc(-c3cc(Cl)cc(C(=O)[O-])c3)nc2[n-]1 ZINC001243325456 1314279581 /nfs/dbraw/zinc/27/95/81/1314279581.db2.gz HDJNHGUTOFSSDZ-UHFFFAOYSA-N -2 1 331.715 2.763 20 0 EFADML O=C1[N-]S(=O)(=O)c2cccc(-c3c(Cl)ccc([O-])c3F)c2N1 ZINC001244543302 1314389223 /nfs/dbraw/zinc/38/92/23/1314389223.db2.gz RNDRLXQHPHXYOK-UHFFFAOYSA-N -2 1 342.735 2.676 20 0 EFADML O=C1[N-]S(=O)(=O)c2cccc(-c3c(F)ccc([O-])c3Cl)c2N1 ZINC001245831352 1314538845 /nfs/dbraw/zinc/53/88/45/1314538845.db2.gz KQJGXVLQPKYXRI-UHFFFAOYSA-N -2 1 342.735 2.676 20 0 EFADML CSc1ccccc1NC(=S)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001249713098 1315126247 /nfs/dbraw/zinc/12/62/47/1315126247.db2.gz IUFVXZACAFVPHS-UHFFFAOYSA-N -2 1 332.414 2.589 20 0 EFADML O=C([O-])CNC(=O)c1ccc(Nc2c(F)ccc([O-])c2Cl)cc1 ZINC001250237434 1315187817 /nfs/dbraw/zinc/18/78/17/1315187817.db2.gz HYMJTCSMXOYKBH-UHFFFAOYSA-N -2 1 338.722 2.743 20 0 EFADML CCOc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260191065 1316321753 /nfs/dbraw/zinc/32/17/53/1316321753.db2.gz VDKQTNXLNBSZHX-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML Cc1noc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc12 ZINC001260189746 1316321938 /nfs/dbraw/zinc/32/19/38/1316321938.db2.gz BENCMCAGNQRRKQ-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228854 1316324760 /nfs/dbraw/zinc/32/47/60/1316324760.db2.gz CAZFQKMZVMQDBW-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML COc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260227913 1316324780 /nfs/dbraw/zinc/32/47/80/1316324780.db2.gz LOLMWGWGDPEFRY-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc(F)c1F ZINC001260228832 1316324899 /nfs/dbraw/zinc/32/48/99/1316324899.db2.gz ARQZXZYYEOGETO-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=S(=O)([N-][C@H]1[CH]CC=C1)c1cc(Br)c(F)cc1F ZINC001260333401 1316332298 /nfs/dbraw/zinc/33/22/98/1316332298.db2.gz UUTGGZQNACKXBS-SSDOTTSWSA-N -2 1 337.165 2.538 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2csc(Cl)c2)ccc1O ZINC001260392474 1316336960 /nfs/dbraw/zinc/33/69/60/1316336960.db2.gz AKOBTXZQDUFMTI-UHFFFAOYSA-N -2 1 333.774 2.606 20 0 EFADML CC(C)(C)[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1nc(=O)o[n-]1 ZINC001469342236 1397025862 /nfs/dbraw/zinc/02/58/62/1397025862.db2.gz KWEGFZNHLLZLCR-AWEZNQCLSA-N -2 1 341.367 2.739 20 0 EFADML CSc1ccc([O-])c(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC001546230755 1398247999 /nfs/dbraw/zinc/24/79/99/1398247999.db2.gz CTIDCLJPLYULJI-UHFFFAOYSA-N -2 1 343.364 2.710 20 0 EFADML CSc1ccncc1[N-]C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821990369 1429053773 /nfs/dbraw/zinc/05/37/73/1429053773.db2.gz RUFXWIDLEUNSCD-UHFFFAOYSA-N -2 1 343.441 2.793 20 0 EFADML Cc1ccc(C)c(SCC(=O)[N-]c2ncc(-c3nn[n-]n3)s2)c1 ZINC000822231878 1426677861 /nfs/dbraw/zinc/67/78/61/1426677861.db2.gz KVMXODIXYYZLNS-UHFFFAOYSA-N -2 1 346.441 2.671 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000823294963 1426689521 /nfs/dbraw/zinc/68/95/21/1426689521.db2.gz ZNWSVBOKLCZYGB-UHFFFAOYSA-N -2 1 349.272 2.843 20 0 EFADML Cc1ccc2cc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])[nH]c2c1 ZINC000822280209 1427489421 /nfs/dbraw/zinc/48/94/21/1427489421.db2.gz IVGGEZIWFRZXOI-UHFFFAOYSA-N -2 1 334.339 2.614 20 0 EFADML CCCOc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c1 ZINC000821133814 1427702506 /nfs/dbraw/zinc/70/25/06/1427702506.db2.gz FUUJWFLOBNJBRS-UHFFFAOYSA-N -2 1 339.355 2.613 20 0 EFADML O=C(C=CSCc1ccco1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826400018 1428115287 /nfs/dbraw/zinc/11/52/87/1428115287.db2.gz MZBXFIOSECUTSP-ALCCZGGFSA-N -2 1 343.368 2.551 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccccc2-c2nnn[n-]2)c1Cl ZINC000826303941 1441832635 /nfs/dbraw/zinc/83/26/35/1441832635.db2.gz NPTNZWNEJSPNCZ-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML O=C(CCSc1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1O ZINC000826408299 1443330502 /nfs/dbraw/zinc/33/05/02/1443330502.db2.gz ZYZXLPNENZDGTK-UHFFFAOYSA-N -2 1 341.396 2.693 20 0 EFADML O=C(CCSc1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826408299 1443330509 /nfs/dbraw/zinc/33/05/09/1443330509.db2.gz ZYZXLPNENZDGTK-UHFFFAOYSA-N -2 1 341.396 2.693 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(C(F)F)cc1 ZINC000823294669 1443570173 /nfs/dbraw/zinc/57/01/73/1443570173.db2.gz MIHUOOCQWDNEBE-UHFFFAOYSA-N -2 1 331.282 2.762 20 0 EFADML Cc1c([N-]S(=O)(=O)c2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000822130481 1443628806 /nfs/dbraw/zinc/62/88/06/1443628806.db2.gz UEHJFTNOKVXNOQ-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000823386985 1443967600 /nfs/dbraw/zinc/96/76/00/1443967600.db2.gz AISFMXDUEVSONG-GUBXDBFYSA-N -2 1 325.353 2.591 20 0 EFADML Cc1ccc(Cl)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826289103 1446261684 /nfs/dbraw/zinc/26/16/84/1446261684.db2.gz KOSVHUCXSLGXTM-UHFFFAOYSA-N -2 1 329.747 2.786 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000826461354 1446711334 /nfs/dbraw/zinc/71/13/34/1446711334.db2.gz RAOQOJAKIBTZNL-CGXWXWIYSA-N -2 1 325.353 2.591 20 0 EFADML CCc1csc([N-]C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821499230 1449053767 /nfs/dbraw/zinc/05/37/67/1449053767.db2.gz FLXDISQCLYTGDS-UHFFFAOYSA-N -2 1 343.416 2.550 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccc(Cl)c1F ZINC000823294905 1450246909 /nfs/dbraw/zinc/24/69/09/1450246909.db2.gz XFXJPUIALLINRE-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]CCC2=CCCCC2)c1 ZINC000322680969 727175683 /nfs/dbraw/zinc/17/56/83/727175683.db2.gz QVRKCQWYFYXEQN-UHFFFAOYSA-N -2 1 345.367 2.832 20 0 EFADML O=C([O-])CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000908680521 727240419 /nfs/dbraw/zinc/24/04/19/727240419.db2.gz FRGQYXXXQGJPDL-UHFFFAOYSA-N -2 1 331.290 2.738 20 0 EFADML CCOc1cc(C(=O)N[C@@](C)(CC)CC(=O)[O-])cc(Cl)c1[O-] ZINC000909056151 727315465 /nfs/dbraw/zinc/31/54/65/727315465.db2.gz IYVJGTKVRQNOKP-HNNXBMFYSA-N -2 1 329.780 2.818 20 0 EFADML C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC[C@@H]1C(=O)[O-] ZINC000909989469 727402602 /nfs/dbraw/zinc/40/26/02/727402602.db2.gz TWOZVYMWWWBAOL-SCZZXKLOSA-N -2 1 331.290 2.594 20 0 EFADML COc1cc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000910043416 727407664 /nfs/dbraw/zinc/40/76/64/727407664.db2.gz FSEDWZGYRAWNLD-NSHDSACASA-N -2 1 327.764 2.524 20 0 EFADML Cc1nc(-c2ccc(N(CCC(=O)[O-])CC3CC3)nc2)[n-]c(=O)c1C ZINC000910414368 727439112 /nfs/dbraw/zinc/43/91/12/727439112.db2.gz HXBHIJMJOIMFPO-UHFFFAOYSA-N -2 1 342.399 2.552 20 0 EFADML CCCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)[C@@H](C)C(=O)[O-] ZINC000911716502 727586813 /nfs/dbraw/zinc/58/68/13/727586813.db2.gz JXKPVSKRYVTTTC-VIFPVBQESA-N -2 1 329.780 2.770 20 0 EFADML COc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000323845039 971045831 /nfs/dbraw/zinc/04/58/31/971045831.db2.gz WXYLABQIJRDGDD-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000326297190 971281185 /nfs/dbraw/zinc/28/11/85/971281185.db2.gz DCUCDITZXJYRPF-FPYGCLRLSA-N -2 1 345.376 2.615 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(C(=O)[O-])c1 ZINC000326603633 971308102 /nfs/dbraw/zinc/30/81/02/971308102.db2.gz MLCGAGWUZVIIQD-UHFFFAOYSA-N -2 1 344.392 2.928 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000327864662 971429948 /nfs/dbraw/zinc/42/99/48/971429948.db2.gz XPPDDYXNYXANJY-CYBMUJFWSA-N -2 1 349.431 2.767 20 0 EFADML O=C([O-])c1cccc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])c1 ZINC001595244419 949496892 /nfs/dbraw/zinc/49/68/92/949496892.db2.gz IKYVKTLZVJIHFS-UHFFFAOYSA-N -2 1 337.331 2.879 20 0 EFADML O=C([O-])c1ccnc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)c1 ZINC001595265636 949743663 /nfs/dbraw/zinc/74/36/63/949743663.db2.gz WBENAJOQCWVFAW-UHFFFAOYSA-N -2 1 342.323 2.659 20 0 EFADML O=C([O-])c1cnc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)cn1 ZINC001595266384 949751132 /nfs/dbraw/zinc/75/11/32/949751132.db2.gz KFGWIDSQINFTIQ-UHFFFAOYSA-N -2 1 343.726 2.939 20 0 EFADML C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC[C@@H]1C(=O)[O-] ZINC001589393038 954343793 /nfs/dbraw/zinc/34/37/93/954343793.db2.gz VQWQCIRYMDTYJF-WPRPVWTQSA-N -2 1 331.290 2.594 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)s1 ZINC000386376286 972049469 /nfs/dbraw/zinc/04/94/69/972049469.db2.gz HBHABSLKQGAIAS-UHFFFAOYSA-N -2 1 333.337 2.834 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)ccc1O ZINC000387283927 972114937 /nfs/dbraw/zinc/11/49/37/972114937.db2.gz JOIVQPZRHZVTNF-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML C[C@](NC(=O)c1ncc2ccccc2c1[O-])(C(=O)[O-])c1ccccc1 ZINC001589121858 956129491 /nfs/dbraw/zinc/12/94/91/956129491.db2.gz XXZHBFYFKAQDBM-LJQANCHMSA-N -2 1 336.347 2.670 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccc(F)cc1 ZINC001594719625 956963137 /nfs/dbraw/zinc/96/31/37/956963137.db2.gz SRHMYZUAKRSSFP-AWEZNQCLSA-N -2 1 340.310 2.635 20 0 EFADML O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000013345811 957033550 /nfs/dbraw/zinc/03/35/50/957033550.db2.gz MLEDAZWDFAEOGK-FPYGCLRLSA-N -2 1 339.319 2.863 20 0 EFADML O=C([O-])[C@H]1C[C@H](NC(=O)c2ncc3ccccc3c2[O-])c2ccccc21 ZINC001594731616 957045265 /nfs/dbraw/zinc/04/52/65/957045265.db2.gz ZAHBEKIIEVPXKJ-HOTGVXAUSA-N -2 1 348.358 2.983 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)c1 ZINC000042789959 957427464 /nfs/dbraw/zinc/42/74/64/957427464.db2.gz BXIQYVFTYGDHPR-UHFFFAOYSA-N -2 1 339.800 2.967 20 0 EFADML O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000080288769 957763037 /nfs/dbraw/zinc/76/30/37/957763037.db2.gz UPAKKPIOHXINII-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H]1c1ccccc1 ZINC001574776949 957767292 /nfs/dbraw/zinc/76/72/92/957767292.db2.gz UNUALAPKRZTFNH-LSDHHAIUSA-N -2 1 345.782 2.986 20 0 EFADML O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000080987366 957768537 /nfs/dbraw/zinc/76/85/37/957768537.db2.gz FYNKRXQXSOTFDN-NSHDSACASA-N -2 1 342.189 2.624 20 0 EFADML O=C([O-])c1cc(NC(=O)c2ccc3ccc(O)cc3c2[O-])ccc1O ZINC001574791039 957808132 /nfs/dbraw/zinc/80/81/32/957808132.db2.gz FUSXOFUXDQKPMS-UHFFFAOYSA-N -2 1 339.303 2.907 20 0 EFADML Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000088188862 958047402 /nfs/dbraw/zinc/04/74/02/958047402.db2.gz JVNLILSPBKPWFS-UHFFFAOYSA-N -2 1 332.790 2.604 20 0 EFADML Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000391205640 972323221 /nfs/dbraw/zinc/32/32/21/972323221.db2.gz GKVYHEFPXKTMGL-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC000391331866 972329811 /nfs/dbraw/zinc/32/98/11/972329811.db2.gz UNGLGSDQCPQUNX-UHFFFAOYSA-N -2 1 331.755 2.942 20 0 EFADML Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ncccc1Cl ZINC000231768706 960205198 /nfs/dbraw/zinc/20/51/98/960205198.db2.gz STZMDFPIURFRBK-UHFFFAOYSA-N -2 1 332.790 2.604 20 0 EFADML CSc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccn1 ZINC001184670475 960516006 /nfs/dbraw/zinc/51/60/06/960516006.db2.gz QUYBGGDUSMSHMH-UHFFFAOYSA-N -2 1 338.410 2.611 20 0 EFADML O=C([O-])CN(C(=O)c1cc(Br)ccc1[O-])C1CCCC1 ZINC000236422746 960575409 /nfs/dbraw/zinc/57/54/09/960575409.db2.gz RVXGAJYVZHKCEI-UHFFFAOYSA-N -2 1 342.189 2.624 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1Cl ZINC001198778134 960584259 /nfs/dbraw/zinc/58/42/59/960584259.db2.gz AOSOGEQGERMCIW-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)Cc2ccccc21 ZINC001574658186 962484674 /nfs/dbraw/zinc/48/46/74/962484674.db2.gz XQPGJFSSKLEOSM-CQSZACIVSA-N -2 1 345.782 2.799 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000307910479 963237927 /nfs/dbraw/zinc/23/79/27/963237927.db2.gz ZWQLLYKCYKKXTE-UHFFFAOYSA-N -2 1 334.328 2.505 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC000315037301 963848534 /nfs/dbraw/zinc/84/85/34/963848534.db2.gz ZDPOUGQSMWWKEG-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC000318270016 970422516 /nfs/dbraw/zinc/42/25/16/970422516.db2.gz LMACRCZVSJTMMR-YVMONPNESA-N -2 1 338.772 2.634 20 0 EFADML O=C([O-])c1csc(SCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC000393309272 972583880 /nfs/dbraw/zinc/58/38/80/972583880.db2.gz PMLONIKCENQRDF-UHFFFAOYSA-N -2 1 335.362 2.946 20 0 EFADML O=C([O-])c1ccc(C(=O)Nc2ccc(Br)c([O-])c2)cn1 ZINC001605847084 972591947 /nfs/dbraw/zinc/59/19/47/972591947.db2.gz SKEGZDJMEMYCJS-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001603366005 972854134 /nfs/dbraw/zinc/85/41/34/972854134.db2.gz QSJVFVWWBNUSAZ-WPRPVWTQSA-N -2 1 331.290 2.594 20 0 EFADML CC[C@@H](C)C[C@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)[O-] ZINC000400373541 973268275 /nfs/dbraw/zinc/26/82/75/973268275.db2.gz HTMHLTOJZFTLEM-KCJUWKMLSA-N -2 1 344.205 2.774 20 0 EFADML C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC[C@H]1C(=O)[O-] ZINC001603454614 973274560 /nfs/dbraw/zinc/27/45/60/973274560.db2.gz TWOZVYMWWWBAOL-PSASIEDQSA-N -2 1 331.290 2.594 20 0 EFADML CC(C)(C)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC000401275708 973349161 /nfs/dbraw/zinc/34/91/61/973349161.db2.gz FSZILXJZCROPSL-SNVBAGLBSA-N -2 1 344.205 2.774 20 0 EFADML COc1cccc([O-])c1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000404692947 973743179 /nfs/dbraw/zinc/74/31/79/973743179.db2.gz RLDQJWACWGFGJD-NSHDSACASA-N -2 1 327.336 2.620 20 0 EFADML O=C([O-])Cn1cc([N-]c2nc(-c3cc(F)cc(F)c3)ns2)cn1 ZINC001606341380 973780220 /nfs/dbraw/zinc/78/02/20/973780220.db2.gz TURQKPKXSSNOEP-UHFFFAOYSA-N -2 1 337.311 2.508 20 0 EFADML CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)c1 ZINC001591994115 976626705 /nfs/dbraw/zinc/62/67/05/976626705.db2.gz AWKIULFBLFBTOE-UHFFFAOYSA-N -2 1 334.397 2.891 20 0 EFADML Cc1ccc([C@@H](CNC(=O)c2c([O-])cccc2Cl)C(=O)[O-])cc1 ZINC000738559354 978559359 /nfs/dbraw/zinc/55/93/59/978559359.db2.gz GWBQJTMZMKAYFN-GFCCVEGCSA-N -2 1 333.771 2.952 20 0 EFADML C[C@](CNC(=O)Cc1ccc([O-])c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001592654506 978636872 /nfs/dbraw/zinc/63/68/72/978636872.db2.gz YZRBRTGQOKCHOK-GOSISDBHSA-N -2 1 347.798 2.747 20 0 EFADML CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001595051153 979283089 /nfs/dbraw/zinc/28/30/89/979283089.db2.gz RNVNFYBFRVXDCS-UHFFFAOYSA-N -2 1 346.387 2.733 20 0 EFADML CCC(CC)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(F)(F)F ZINC000871996867 980029807 /nfs/dbraw/zinc/02/98/07/980029807.db2.gz MWKQTGICOJBDMA-UHFFFAOYSA-N -2 1 343.323 2.625 20 0 EFADML CC[C@@H](OC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C(=O)[O-] ZINC001595354387 980691589 /nfs/dbraw/zinc/69/15/89/980691589.db2.gz VEXQORKGEVFOKK-CQSZACIVSA-N -2 1 332.356 2.721 20 0 EFADML CCc1c(C)[n-]n(-c2cc(C(=O)[O-])ccc2Br)c1=O ZINC001595401043 980974911 /nfs/dbraw/zinc/97/49/11/980974911.db2.gz GHXXIUMSEDJBIQ-VIFPVBQESA-N -2 1 325.162 2.896 20 0 EFADML CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001595435759 981066137 /nfs/dbraw/zinc/06/61/37/981066137.db2.gz MPHNTJUBYODXIQ-KOLCDFICSA-N -2 1 347.383 2.910 20 0 EFADML CC[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001595455662 981124434 /nfs/dbraw/zinc/12/44/34/981124434.db2.gz NKGXHOAKTSTTLL-ZJUUUORDSA-N -2 1 347.383 2.768 20 0 EFADML CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)C1CCC1 ZINC001595600857 981584485 /nfs/dbraw/zinc/58/44/85/981584485.db2.gz OVOBQOUSLOXAMI-SNVBAGLBSA-N -2 1 335.809 2.878 20 0 EFADML CC[C@@](C)([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)C(F)(F)F ZINC001594853063 982107372 /nfs/dbraw/zinc/10/73/72/982107372.db2.gz FWKPROSLXDBPLM-LLVKDONJSA-N -2 1 343.298 2.533 20 0 EFADML CCCN(C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])[C@H](C)C(=O)[O-] ZINC001595824360 982702798 /nfs/dbraw/zinc/70/27/98/982702798.db2.gz DVHSVTASKJRGCN-LLVKDONJSA-N -2 1 345.351 2.790 20 0 EFADML C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001588661707 983787007 /nfs/dbraw/zinc/78/70/07/983787007.db2.gz OINZAVPLVPNRMA-UHFFFAOYSA-N -2 1 340.335 2.776 20 0 EFADML C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC001588662152 983788815 /nfs/dbraw/zinc/78/88/15/983788815.db2.gz XQRADFYSUWBTIE-UHFFFAOYSA-N -2 1 346.364 2.837 20 0 EFADML C[C@H]1Cc2cc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])ccc2O1 ZINC001594619095 986646627 /nfs/dbraw/zinc/64/66/27/986646627.db2.gz UTTBRJZACJAPGD-QMMMGPOBSA-N -2 1 339.394 2.571 20 0 EFADML CC(C)(C)C[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C(=O)[O-] ZINC001589751626 988054952 /nfs/dbraw/zinc/05/49/52/988054952.db2.gz PMCOVZUEDYJGGR-AWEZNQCLSA-N -2 1 331.368 2.870 20 0 EFADML CCc1ccc(O)c([N-]S(=O)(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001597556821 988290835 /nfs/dbraw/zinc/29/08/35/988290835.db2.gz UMLFNPOTSIRFLJ-CQSZACIVSA-N -2 1 349.408 2.565 20 0 EFADML CSc1ccc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001599819691 988490008 /nfs/dbraw/zinc/49/00/08/988490008.db2.gz DHYKJVCUBHHLNU-HNNXBMFYSA-N -2 1 345.376 2.607 20 0 EFADML C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C1CCCC1 ZINC001599842877 988876534 /nfs/dbraw/zinc/87/65/34/988876534.db2.gz ZINIDOFMVUJPFU-MRVPVSSYSA-N -2 1 333.356 2.520 20 0 EFADML CCc1nn(-c2nc3ccccc3c(=O)[n-]2)c(CC)c1CCC(=O)[O-] ZINC001597711742 988971088 /nfs/dbraw/zinc/97/10/88/988971088.db2.gz BMFLXJRVMKVRCZ-UHFFFAOYSA-N -2 1 340.383 2.663 20 0 EFADML CN(C(=O)c1ncc2ccccc2c1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC001598104141 990480917 /nfs/dbraw/zinc/48/09/17/990480917.db2.gz GXLDIBORVMUAGX-INIZCTEOSA-N -2 1 336.347 2.838 20 0 EFADML CN(C(=O)c1ncc2ccccc2c1[O-])C1(C(=O)[O-])CCCCC1 ZINC001598104501 990482845 /nfs/dbraw/zinc/48/28/45/990482845.db2.gz OQPBEWMAZXXBNI-UHFFFAOYSA-N -2 1 328.368 2.800 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1F ZINC001599598862 993786944 /nfs/dbraw/zinc/78/69/44/993786944.db2.gz QVKNXMRTOWQCQH-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-])C(F)F ZINC001593324510 994860592 /nfs/dbraw/zinc/86/05/92/994860592.db2.gz AKDLJCGICGLPBJ-BYPYZUCNSA-N -2 1 348.154 2.624 20 0 EFADML C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)C1CCCCC1 ZINC001593326939 994884584 /nfs/dbraw/zinc/88/45/84/994884584.db2.gz RAIBCWLZEKBELQ-QMMMGPOBSA-N -2 1 335.809 2.878 20 0 EFADML CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001593905316 996785449 /nfs/dbraw/zinc/78/54/49/996785449.db2.gz QNLKNPJSBMQRIQ-NSHDSACASA-N -2 1 333.356 2.520 20 0 EFADML COc1cc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc(Cl)c1[O-] ZINC001599351413 998099997 /nfs/dbraw/zinc/09/99/97/998099997.db2.gz RFRCNKFIXFAJMA-WBMJQRKESA-N -2 1 339.775 2.524 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)ccc1C(=O)[O-] ZINC001599459212 998242004 /nfs/dbraw/zinc/24/20/04/998242004.db2.gz HBYZBACCDLRJSY-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML COC(=O)c1ccc(C(=O)OCc2c(Cl)cccc2C(=O)[O-])[n-]1 ZINC001598968140 998462541 /nfs/dbraw/zinc/46/25/41/998462541.db2.gz QSBNMVMTSXOHFO-UHFFFAOYSA-N -2 1 337.715 2.510 20 0 EFADML C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001594158085 998582589 /nfs/dbraw/zinc/58/25/89/998582589.db2.gz ZKIGPQWTKGNTCM-PSASIEDQSA-N -2 1 334.759 2.529 20 0 EFADML C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H](C(=O)[O-])C1 ZINC001594410127 999530752 /nfs/dbraw/zinc/53/07/52/999530752.db2.gz JYPBTGDEIUNDPQ-LDYMZIIASA-N -2 1 331.290 2.736 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC001600071541 1094752281 /nfs/dbraw/zinc/75/22/81/1094752281.db2.gz YTJIDNIAFIDWDE-MRVPVSSYSA-N -2 1 330.178 2.903 20 0 EFADML Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)oc1C(=O)[O-] ZINC001600098038 1094767611 /nfs/dbraw/zinc/76/76/11/1094767611.db2.gz GHVWDZPTROCBLP-UHFFFAOYSA-N -2 1 327.296 2.634 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC001600125365 1094786399 /nfs/dbraw/zinc/78/63/99/1094786399.db2.gz OAUKLCVCALMLAL-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC001600125514 1094786932 /nfs/dbraw/zinc/78/69/32/1094786932.db2.gz XONVFXYSOXXQQE-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c(C)n1 ZINC001600163535 1094829853 /nfs/dbraw/zinc/82/98/53/1094829853.db2.gz NRSUGLNYNPNIRJ-UHFFFAOYSA-N -2 1 334.397 2.814 20 0 EFADML Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(O)ccc1C(=O)[O-] ZINC001600220997 1094898866 /nfs/dbraw/zinc/89/88/66/1094898866.db2.gz RTHLNMZGBOUPPD-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1cc(O)cc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC001600284356 1094944583 /nfs/dbraw/zinc/94/45/83/1094944583.db2.gz HSESRHYXQSYNHL-UHFFFAOYSA-N -2 1 349.408 2.864 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)ccc1F ZINC001600301723 1094955864 /nfs/dbraw/zinc/95/58/64/1094955864.db2.gz WBHWIDWYXOPEFV-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc(C(=O)[O-])on2)s1 ZINC001600432026 1095062257 /nfs/dbraw/zinc/06/22/57/1095062257.db2.gz VYZKPUUMGZHWHT-UHFFFAOYSA-N -2 1 348.315 2.591 20 0 EFADML Cc1ccc(O)cc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001600467040 1095088114 /nfs/dbraw/zinc/08/81/14/1095088114.db2.gz KTWZGKJOKBJAHH-UHFFFAOYSA-N -2 1 347.392 2.618 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)c1C(=O)[O-] ZINC001600551370 1095156660 /nfs/dbraw/zinc/15/66/60/1095156660.db2.gz YCVOMNBXMVEKQM-UHFFFAOYSA-N -2 1 347.392 2.567 20 0 EFADML Cc1sc(C(=O)[O-])cc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001600687590 1095260581 /nfs/dbraw/zinc/26/05/81/1095260581.db2.gz JTJHUOMOCXBKRZ-UHFFFAOYSA-N -2 1 335.385 2.934 20 0 EFADML O=C([O-])c1ccc(CNC(=O)Cc2ccc([O-])c(Cl)c2)s1 ZINC001601362036 1095635305 /nfs/dbraw/zinc/63/53/05/1095635305.db2.gz UMNNCXBQCKYQQF-UHFFFAOYSA-N -2 1 325.773 2.664 20 0 EFADML O=C([O-])c1cn(CC(=O)Nc2cccc(F)c2[O-])c2ccccc12 ZINC001601379792 1095647744 /nfs/dbraw/zinc/64/77/44/1095647744.db2.gz BUWKBCSQCNTLTR-UHFFFAOYSA-N -2 1 328.299 2.823 20 0 EFADML O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1cc2ccccc2cc1[O-] ZINC001601405839 1095661551 /nfs/dbraw/zinc/66/15/51/1095661551.db2.gz FGVQCHHFVAPKNC-LLVKDONJSA-N -2 1 327.258 2.681 20 0 EFADML O=C([O-])[C@H](Cc1cc2ccccc2o1)NC(=O)c1c([O-])cccc1F ZINC001601422355 1095667275 /nfs/dbraw/zinc/66/72/75/1095667275.db2.gz PEBQELVYLWMXHM-ZDUSSCGKSA-N -2 1 343.310 2.703 20 0 EFADML O=C([O-])[C@H](CNC(=O)c1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC001601458505 1095684944 /nfs/dbraw/zinc/68/49/44/1095684944.db2.gz OCRREZFCLKSEFX-LLVKDONJSA-N -2 1 337.734 2.783 20 0 EFADML O=C([O-])c1occc1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001601545761 1095728764 /nfs/dbraw/zinc/72/87/64/1095728764.db2.gz GCIYCGUNGLPDMS-UHFFFAOYSA-N -2 1 329.230 2.632 20 0 EFADML O=C([O-])[C@@H](CC(F)F)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001601640325 1095779274 /nfs/dbraw/zinc/77/92/74/1095779274.db2.gz LWCLPWAWEPYHOV-MRVPVSSYSA-N -2 1 327.661 2.656 20 0 EFADML O=C([O-])[C@]1(C(=O)NCc2ccc([O-])c(Cl)c2)C[C@H]1c1ccccc1 ZINC001601701299 1095840985 /nfs/dbraw/zinc/84/09/85/1095840985.db2.gz KOTULENXUGFVKP-SCLBCKFNSA-N -2 1 345.782 2.920 20 0 EFADML O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Br)c([O-])c2)C1 ZINC001601805017 1095911547 /nfs/dbraw/zinc/91/15/47/1095911547.db2.gz WEOCMWBQWPAEOQ-IUCAKERBSA-N -2 1 342.189 2.984 20 0 EFADML O=C([O-])CC1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCCC1 ZINC001601932358 1095982604 /nfs/dbraw/zinc/98/26/04/1095982604.db2.gz WKRJMILOBFGUEI-UHFFFAOYSA-N -2 1 331.290 2.928 20 0 EFADML O=C([O-])CCSc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC001602031939 1096026586 /nfs/dbraw/zinc/02/65/86/1096026586.db2.gz NAEJUMHPVTWMPZ-UHFFFAOYSA-N -2 1 333.365 2.917 20 0 EFADML O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([O-])c(F)c1 ZINC001602059828 1096048457 /nfs/dbraw/zinc/04/84/57/1096048457.db2.gz ZJPUKJLSTZYDJY-UHFFFAOYSA-N -2 1 339.269 2.537 20 0 EFADML O=C([O-])COc1cccc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001602091539 1096057163 /nfs/dbraw/zinc/05/71/63/1096057163.db2.gz WRAIUBXXOCWFQO-UHFFFAOYSA-N -2 1 339.706 2.900 20 0 EFADML O=C([O-])C[C@H](NC(=O)c1ccc([O-])cn1)c1ccc2ccccc2c1 ZINC001602116392 1096072841 /nfs/dbraw/zinc/07/28/41/1096072841.db2.gz RKIVHUOMBPIBBD-KRWDZBQOSA-N -2 1 336.347 2.886 20 0 EFADML O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1F ZINC001602128799 1096080355 /nfs/dbraw/zinc/08/03/55/1096080355.db2.gz XVOGWOZBPFGDJF-UHFFFAOYSA-N -2 1 349.383 2.742 20 0 EFADML O=C([O-])[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001602194112 1096111764 /nfs/dbraw/zinc/11/17/64/1096111764.db2.gz LGOBCWJZWCUOCU-VXNVDRBHSA-N -2 1 345.829 2.554 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)c1F ZINC001602273175 1096154264 /nfs/dbraw/zinc/15/42/64/1096154264.db2.gz PFQQMUTUNDTSCL-AWEZNQCLSA-N -2 1 345.367 2.520 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)cc2[nH]ccc21 ZINC001602287920 1096162991 /nfs/dbraw/zinc/16/29/91/1096162991.db2.gz NZQRTPDHOJTLQQ-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML O=C([O-])c1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)nc1 ZINC001602358244 1096203536 /nfs/dbraw/zinc/20/35/36/1096203536.db2.gz ROAPKYDCPJDVHZ-UHFFFAOYSA-N -2 1 331.275 2.587 20 0 EFADML O=C([O-])c1ccc2c(c1)CN(C(=O)c1ncc3ccccc3c1[O-])C2 ZINC001602420751 1096235252 /nfs/dbraw/zinc/23/52/52/1096235252.db2.gz HKYKHGQAONWWLM-UHFFFAOYSA-N -2 1 334.331 2.795 20 0 EFADML O=C([O-])c1cccc(-c2nc(CN3CCC(C(=O)[O-])CC3)cs2)c1 ZINC001602429039 1096239575 /nfs/dbraw/zinc/23/95/75/1096239575.db2.gz INTBSAMVBLIJGX-UHFFFAOYSA-N -2 1 346.408 2.805 20 0 EFADML O=C([O-])c1csc([N-]S(=O)(=O)/C=C\c2ccccc2F)c1 ZINC001602564214 1096300576 /nfs/dbraw/zinc/30/05/76/1096300576.db2.gz WSWNDVPZHDDHIS-WAYWQWQTSA-N -2 1 327.358 2.998 20 0 EFADML O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC001602597656 1096313914 /nfs/dbraw/zinc/31/39/14/1096313914.db2.gz VOMMGGODVDASHZ-UHFFFAOYSA-N -2 1 339.394 2.572 20 0 EFADML C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC001603222093 1096477947 /nfs/dbraw/zinc/47/79/47/1096477947.db2.gz XIVSCLFXKCSRRY-SNVBAGLBSA-N -2 1 337.335 2.776 20 0 EFADML CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001603810512 1096634232 /nfs/dbraw/zinc/63/42/32/1096634232.db2.gz MMHDOALSUMMFCE-UHFFFAOYSA-N -2 1 333.306 2.984 20 0 EFADML CC(C)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c([O-])c1 ZINC001603996921 1096690734 /nfs/dbraw/zinc/69/07/34/1096690734.db2.gz MUQGFSHAXNSBOV-UHFFFAOYSA-N -2 1 331.372 2.784 20 0 EFADML C[C@](CC(=O)[O-])(NC(=O)c1cc(Cl)ccc1[O-])c1ccccn1 ZINC001604084524 1096725657 /nfs/dbraw/zinc/72/56/57/1096725657.db2.gz DGWRDCFJGZWMRS-MRXNPFEDSA-N -2 1 334.759 2.561 20 0 EFADML C[C@H](CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1)C(=O)[O-] ZINC001604152249 1096754051 /nfs/dbraw/zinc/75/40/51/1096754051.db2.gz BOMLNSFMVGVBEJ-SNVBAGLBSA-N -2 1 329.352 2.576 20 0 EFADML C[C@H](Oc1ccccc1CNCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001604442937 1096856491 /nfs/dbraw/zinc/85/64/91/1096856491.db2.gz JVNFAHBGWNFHMP-LBPRGKRZSA-N -2 1 329.352 2.527 20 0 EFADML C[C@]1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC001604590092 1096909785 /nfs/dbraw/zinc/90/97/85/1096909785.db2.gz NTPNRKOKLWQYED-ZBEGNZNMSA-N -2 1 325.792 2.738 20 0 EFADML C[C@@]1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCC[C@H]1C(=O)[O-] ZINC001604597099 1096912011 /nfs/dbraw/zinc/91/20/11/1096912011.db2.gz YTYVEZIHKZQBDX-ISVAXAHUSA-N -2 1 337.344 2.529 20 0 EFADML CC1=C(C(=O)[O-])[C@@H](c2ccc([O-])c(Cl)c2)NC(=O)N1CC1CC1 ZINC001604606989 1096912595 /nfs/dbraw/zinc/91/25/95/1096912595.db2.gz GSKYJLVZBFTPAW-CQSZACIVSA-N -2 1 336.775 2.881 20 0 EFADML C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604724494 1096940538 /nfs/dbraw/zinc/94/05/38/1096940538.db2.gz IWXMOMXEJIRQEU-VHSXEESVSA-N -2 1 347.383 2.768 20 0 EFADML CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605164966 1097038968 /nfs/dbraw/zinc/03/89/68/1097038968.db2.gz JTNJHIAPCJDWKP-CABZTGNLSA-N -2 1 347.383 2.910 20 0 EFADML CCCc1cc(=O)[n-]c(SCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC001605372550 1097108003 /nfs/dbraw/zinc/10/80/03/1097108003.db2.gz DIDCBNUWLWGFQA-UHFFFAOYSA-N -2 1 349.412 2.753 20 0 EFADML CCc1ccc(C(=O)Nc2nc(COC)c(C(=O)[O-])s2)c([O-])c1 ZINC001605805859 1097232617 /nfs/dbraw/zinc/23/26/17/1097232617.db2.gz FBWTUWVZANDJJA-UHFFFAOYSA-N -2 1 336.369 2.508 20 0 EFADML CCc1ccccc1S(=O)(=O)[N-]c1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001605835952 1097244386 /nfs/dbraw/zinc/24/43/86/1097244386.db2.gz FUHAVCVNWSBMHQ-UHFFFAOYSA-N -2 1 345.380 2.624 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3c(c2)CCOC3)Cc2ccccc2C1 ZINC001167934792 1097339306 /nfs/dbraw/zinc/33/93/06/1097339306.db2.gz KHFHYEVKYXGTPJ-UHFFFAOYSA-N -2 1 345.335 2.844 20 0 EFADML Cc1ncnc(Cl)c1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167936265 1097352677 /nfs/dbraw/zinc/35/26/77/1097352677.db2.gz JVRNWEFJEULILS-UHFFFAOYSA-N -2 1 339.719 2.523 20 0 EFADML CC(C)n1cccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1=O ZINC001167938980 1097381710 /nfs/dbraw/zinc/38/17/10/1097381710.db2.gz KVGBDZUIRDUREG-UHFFFAOYSA-N -2 1 348.339 2.514 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3c(c2)NCC3)Cc2ccccc2C1 ZINC001167939898 1097388411 /nfs/dbraw/zinc/38/84/11/1097388411.db2.gz YYYBZZSTPOZGDE-UHFFFAOYSA-N -2 1 330.324 2.739 20 0 EFADML CC(C)(C)c1ncc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cn1 ZINC001167940480 1097399519 /nfs/dbraw/zinc/39/95/19/1097399519.db2.gz XNHNXKZMNAJYSB-UHFFFAOYSA-N -2 1 347.355 2.859 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC001606963233 1097481726 /nfs/dbraw/zinc/48/17/26/1097481726.db2.gz DDOBMFHZXDSUBO-GFCCVEGCSA-N -2 1 349.408 2.822 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)ccc1C(=O)[O-] ZINC001607189583 1097555921 /nfs/dbraw/zinc/55/59/21/1097555921.db2.gz FLSDJJIDKDWKEP-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML COc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c([O-])c1 ZINC001607207727 1097561649 /nfs/dbraw/zinc/56/16/49/1097561649.db2.gz BSTMONCVCNUOFE-LSDHHAIUSA-N -2 1 327.336 2.841 20 0 EFADML COc1ccc([C@@H](NC(=O)c2c([O-])cccc2Cl)C(=O)[O-])cc1 ZINC001607228772 1097566519 /nfs/dbraw/zinc/56/65/19/1097566519.db2.gz FLOKNJPGPNOQSI-CQSZACIVSA-N -2 1 335.743 2.610 20 0 EFADML COc1cccc([O-])c1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001607326607 1097601456 /nfs/dbraw/zinc/60/14/56/1097601456.db2.gz NSXHGMCUKXOWTR-UHFFFAOYSA-N -2 1 345.351 2.897 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001607563053 1097661788 /nfs/dbraw/zinc/66/17/88/1097661788.db2.gz IWXFQELDAVZLLQ-DTWKUNHWSA-N -2 1 342.189 2.903 20 0 EFADML Cc1cc([C@H](NCc2nc(=O)c3sccc3[n-]2)C(=O)[O-])ccc1F ZINC001607611376 1097676017 /nfs/dbraw/zinc/67/60/17/1097676017.db2.gz DYYNKHDMSBBNLM-ZDUSSCGKSA-N -2 1 347.371 2.760 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC001607633988 1097683749 /nfs/dbraw/zinc/68/37/49/1097683749.db2.gz VKQTXDFQQJUWTI-GFCCVEGCSA-N -2 1 333.365 2.520 20 0 EFADML Cc1cc(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)oc1C(=O)[O-] ZINC001607642867 1097687542 /nfs/dbraw/zinc/68/75/42/1097687542.db2.gz BKELWPBOOOPSHB-UHFFFAOYSA-N -2 1 345.248 2.973 20 0 EFADML Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(O)ccc1C(=O)[O-] ZINC001607788041 1097732699 /nfs/dbraw/zinc/73/26/99/1097732699.db2.gz FFXBAULNGPDPPH-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])ccc12 ZINC001607863115 1097758001 /nfs/dbraw/zinc/75/80/01/1097758001.db2.gz MKOADRXXRAXVPP-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])ccc12 ZINC001607863115 1097758006 /nfs/dbraw/zinc/75/80/06/1097758006.db2.gz MKOADRXXRAXVPP-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])ccc12 ZINC001607939090 1097782938 /nfs/dbraw/zinc/78/29/38/1097782938.db2.gz GWGXMBBMKHFSPB-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])ccc12 ZINC001607939090 1097782941 /nfs/dbraw/zinc/78/29/41/1097782941.db2.gz GWGXMBBMKHFSPB-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])cc2o1 ZINC001607974087 1097793791 /nfs/dbraw/zinc/79/37/91/1097793791.db2.gz AYLPUBZSCSNJMX-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC001608086253 1097830852 /nfs/dbraw/zinc/83/08/52/1097830852.db2.gz LENYIUJAWFFZOI-CQSZACIVSA-N -2 1 346.358 2.935 20 0 EFADML O=C(C=Cc1cc(C(=O)[O-])co1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001608283407 1097880398 /nfs/dbraw/zinc/88/03/98/1097880398.db2.gz DKOGEHOOIJBFJX-WAYWQWQTSA-N -2 1 339.307 2.521 20 0 EFADML O=C([O-])c1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)ccc1Cl ZINC001608508048 1097935532 /nfs/dbraw/zinc/93/55/32/1097935532.db2.gz DRLYVDZNCNXTMO-UHFFFAOYSA-N -2 1 348.771 2.622 20 0 EFADML O=C([O-])c1c(NC(=O)Nc2ccc([O-])c(Cl)c2)nc2n1CCC2 ZINC001608512232 1097937233 /nfs/dbraw/zinc/93/72/33/1097937233.db2.gz LSSUCLIBGWVHFI-UHFFFAOYSA-N -2 1 336.735 2.531 20 0 EFADML O=C([O-])[C@@H](NCc1ccc([O-])c(F)c1F)c1cc(F)ccc1F ZINC001608550518 1097951029 /nfs/dbraw/zinc/95/10/29/1097951029.db2.gz SCOHOCQAPWVEPX-AWEZNQCLSA-N -2 1 329.249 2.864 20 0 EFADML O=C([O-])C1(CS(=O)(=O)[N-]c2cccc3cc[nH]c32)CCCCC1 ZINC001608574972 1097959515 /nfs/dbraw/zinc/95/95/15/1097959515.db2.gz VCTJMROHJBIUCK-UHFFFAOYSA-N -2 1 336.413 2.945 20 0 EFADML O=C([O-])C1(CS(=O)(=O)[N-]c2cccc(Cl)c2O)CCCCC1 ZINC001608574820 1097959609 /nfs/dbraw/zinc/95/96/09/1097959609.db2.gz SRZQAHYPLUWDKS-UHFFFAOYSA-N -2 1 347.820 2.822 20 0 EFADML O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001608656093 1097978978 /nfs/dbraw/zinc/97/89/78/1097978978.db2.gz PSJYOEHDPZZDTM-OAHLLOKOSA-N -2 1 347.754 2.706 20 0 EFADML O=C([O-])C[C@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC001608667886 1097983929 /nfs/dbraw/zinc/98/39/29/1097983929.db2.gz XYGCRXSGAUKVBT-SNVBAGLBSA-N -2 1 331.290 2.642 20 0 EFADML O=C([O-])CCCc1nnc([N-]C(=O)c2nc(C3CC3)cs2)s1 ZINC001608720568 1098000361 /nfs/dbraw/zinc/00/03/61/1098000361.db2.gz ZLNHEIZGXCBKJS-UHFFFAOYSA-N -2 1 338.414 2.532 20 0 EFADML O=C([O-])c1ccc(F)c2c1CN(C(=O)c1cc(F)ccc1[O-])CC2 ZINC001608896158 1098063680 /nfs/dbraw/zinc/06/36/80/1098063680.db2.gz GZYFPNDKUIZCEO-UHFFFAOYSA-N -2 1 333.290 2.567 20 0 EFADML O=C([O-])c1cccc(COC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC001608931970 1098078853 /nfs/dbraw/zinc/07/88/53/1098078853.db2.gz GBMJEYUGXFUGJF-UHFFFAOYSA-N -2 1 338.319 2.633 20 0 EFADML C[C@@H](CC(=O)[O-])c1ccc(NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001609108590 1098150305 /nfs/dbraw/zinc/15/03/05/1098150305.db2.gz DRKRHNZLAKMMSO-VIFPVBQESA-N -2 1 344.400 2.514 20 0 EFADML C[C@@H](CC(=O)[O-])c1ccc(NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001609108590 1098150308 /nfs/dbraw/zinc/15/03/08/1098150308.db2.gz DRKRHNZLAKMMSO-VIFPVBQESA-N -2 1 344.400 2.514 20 0 EFADML CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001609624681 1098407852 /nfs/dbraw/zinc/40/78/52/1098407852.db2.gz KBBNYDNQFLEUQB-UHFFFAOYSA-N -2 1 348.742 2.955 20 0 EFADML CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)[nH]n1 ZINC001609657423 1098418815 /nfs/dbraw/zinc/41/88/15/1098418815.db2.gz PEGOKZDAHPCOMZ-UHFFFAOYSA-N -2 1 343.430 2.559 20 0 EFADML CCC(CC)(C(=O)[O-])C(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC001609909725 1098491639 /nfs/dbraw/zinc/49/16/39/1098491639.db2.gz FDTRRXQKIKLBGH-UHFFFAOYSA-N -2 1 334.344 2.672 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1CC ZINC001610063326 1098535449 /nfs/dbraw/zinc/53/54/49/1098535449.db2.gz WVLWVESJKICVAA-UHFFFAOYSA-N -2 1 334.397 2.705 20 0 EFADML COC(=O)c1c[n-]c(S[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])n1 ZINC001610195181 1098565986 /nfs/dbraw/zinc/56/59/86/1098565986.db2.gz DOHKIWJVEROSRE-LLVKDONJSA-N -2 1 340.788 2.638 20 0 EFADML COC(=O)c1c[n-]c(S[C@@H](C(=O)[O-])c2ccccc2Cl)n1 ZINC001610197087 1098567227 /nfs/dbraw/zinc/56/72/27/1098567227.db2.gz XWEBOPAKYRQQTI-SNVBAGLBSA-N -2 1 326.761 2.768 20 0 EFADML COCCOc1cccc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[n-]2)c1 ZINC001610264283 1098592292 /nfs/dbraw/zinc/59/22/92/1098592292.db2.gz RKNIZKSKZSIUJV-UHFFFAOYSA-N -2 1 340.335 2.726 20 0 EFADML O=C([O-])c1ccc(CNC(=O)c2ccc(Cl)cc2[O-])nc1C1CC1 ZINC001610697033 1098833877 /nfs/dbraw/zinc/83/38/77/1098833877.db2.gz UBKLCVQEURKLDU-UHFFFAOYSA-N -2 1 346.770 2.946 20 0 EFADML O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1F ZINC001610805727 1098900959 /nfs/dbraw/zinc/90/09/59/1098900959.db2.gz GURKXZYEIFDEOK-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML O=C([O-])c1c(F)ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1F ZINC001610805589 1098901040 /nfs/dbraw/zinc/90/10/40/1098901040.db2.gz CJTATXFXPMADMW-UHFFFAOYSA-N -2 1 349.215 2.790 20 0 EFADML O=C([O-])c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(F)c1 ZINC001610822287 1098910676 /nfs/dbraw/zinc/91/06/76/1098910676.db2.gz BLLVJNCMWJUUJJ-UHFFFAOYSA-N -2 1 341.298 2.872 20 0 EFADML O=C([O-])c1ccsc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC001610855815 1098938867 /nfs/dbraw/zinc/93/88/67/1098938867.db2.gz DDHJBBJKIBRBAJ-VURMDHGXSA-N -2 1 327.358 2.998 20 0 EFADML O=C([O-])c1ccsc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC001610857029 1098941019 /nfs/dbraw/zinc/94/10/19/1098941019.db2.gz OALKTCHPNRNZIL-SOFGYWHQSA-N -2 1 327.358 2.998 20 0 EFADML Nc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC001211969668 1104771410 /nfs/dbraw/zinc/77/14/10/1104771410.db2.gz URDYIUFXLWCJID-UHFFFAOYSA-N -2 1 344.751 2.560 20 0 EFADML C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000054334117 214232030 /nfs/dbraw/zinc/23/20/30/214232030.db2.gz OVVIMDLLLQZMNT-YFKPBYRVSA-N -2 1 346.619 2.646 20 0 EFADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000055311361 214306545 /nfs/dbraw/zinc/30/65/45/214306545.db2.gz MFZLSAIJTRHKMB-UHFFFAOYSA-N -2 1 333.724 2.880 20 0 EFADML CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000036838288 213122078 /nfs/dbraw/zinc/12/20/78/213122078.db2.gz JPLLJQQXQPIOPK-YFKPBYRVSA-N -2 1 332.230 2.587 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1C ZINC000005133336 210397159 /nfs/dbraw/zinc/39/71/59/210397159.db2.gz QQTPPXJJBNDQRN-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1 ZINC000097465113 219026713 /nfs/dbraw/zinc/02/67/13/219026713.db2.gz ZKRSOGGUBDOXAY-UHFFFAOYSA-N -2 1 344.348 2.841 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1C(=O)[O-] ZINC000338878640 141690224 /nfs/dbraw/zinc/69/02/24/141690224.db2.gz SUXVOYBCOHJJDV-UHFFFAOYSA-N -2 1 346.364 2.676 20 0 EFADML CCOC(=O)c1cnc(/C=C/c2cc([O-])cc(F)c2)c(C(=O)[O-])c1 ZINC000349102553 146053066 /nfs/dbraw/zinc/05/30/66/146053066.db2.gz LEXXOMBMTGKHQX-ONEGZZNKSA-N -2 1 331.299 2.972 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc(C(=O)[O-])c1C ZINC000350729079 146084000 /nfs/dbraw/zinc/08/40/00/146084000.db2.gz INJZRDCWXQZEFW-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)ccc12 ZINC000350893404 146098970 /nfs/dbraw/zinc/09/89/70/146098970.db2.gz HASYHJZAMDIKRP-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000356498235 147261214 /nfs/dbraw/zinc/26/12/14/147261214.db2.gz POKHHEKFIUCYNG-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000356500514 147261833 /nfs/dbraw/zinc/26/18/33/147261833.db2.gz XODJNAOCVWQANV-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cccc1C(=O)[O-] ZINC000356725716 147320350 /nfs/dbraw/zinc/32/03/50/147320350.db2.gz XKNDGBMRSQLBHD-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000036864025 544441702 /nfs/dbraw/zinc/44/17/02/544441702.db2.gz KNHMKDCTPBSJPR-UHFFFAOYSA-N -2 1 328.777 2.660 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1 ZINC000071415290 292714271 /nfs/dbraw/zinc/71/42/71/292714271.db2.gz XWZPKRUJFITPJB-UHFFFAOYSA-N -2 1 327.383 2.564 20 0 EFADML Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000156255183 293503296 /nfs/dbraw/zinc/50/32/96/293503296.db2.gz WXQOBTBWFYOHGQ-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])CCCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000231726308 293603986 /nfs/dbraw/zinc/60/39/86/293603986.db2.gz YVSLNZBXNMETKJ-UHFFFAOYSA-N -2 1 344.191 2.666 20 0 EFADML CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1 ZINC000486908898 313345864 /nfs/dbraw/zinc/34/58/64/313345864.db2.gz LHIMAJKIWXWOPO-UHFFFAOYSA-N -2 1 343.412 2.791 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1C(=O)[O-] ZINC000524018074 316144684 /nfs/dbraw/zinc/14/46/84/316144684.db2.gz ZNMBIJZSJSVYLC-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2CCO3)c1C ZINC000526038686 316280707 /nfs/dbraw/zinc/28/07/07/316280707.db2.gz JKWUMZALANXMJV-UHFFFAOYSA-N -2 1 347.392 2.737 20 0 EFADML CCC(C)(C)CS(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC ZINC000530136550 317060694 /nfs/dbraw/zinc/06/06/94/317060694.db2.gz HWHXZLBQRWBRGX-UHFFFAOYSA-N -2 1 343.445 2.890 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000531553956 317282134 /nfs/dbraw/zinc/28/21/34/317282134.db2.gz PGFKSTAQHJRBCI-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000547550263 318018397 /nfs/dbraw/zinc/01/83/97/318018397.db2.gz BPIYIAVFRXBLLO-UHFFFAOYSA-N -2 1 330.365 2.674 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(C)o1 ZINC000547566433 318019295 /nfs/dbraw/zinc/01/92/95/318019295.db2.gz WDADSWLXNYVJLQ-UHFFFAOYSA-N -2 1 331.296 2.674 20 0 EFADML CC1([C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C(=O)[O-])CCCCC1 ZINC000547702014 318031650 /nfs/dbraw/zinc/03/16/50/318031650.db2.gz RZNKBXURLJIQEF-CYBMUJFWSA-N -2 1 347.383 2.667 20 0 EFADML CC1([C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C(=O)[O-])CCCCC1 ZINC000547701829 318031725 /nfs/dbraw/zinc/03/17/25/318031725.db2.gz ZTPFNNFXALPXJJ-ZDUSSCGKSA-N -2 1 347.383 2.667 20 0 EFADML CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)CC(=O)[O-] ZINC000547872355 318050627 /nfs/dbraw/zinc/05/06/27/318050627.db2.gz DOVMWLPJDSWUJH-GFCCVEGCSA-N -2 1 339.413 2.848 20 0 EFADML C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000547935492 318053765 /nfs/dbraw/zinc/05/37/65/318053765.db2.gz GHOKOKDATYVKIE-NWDGAFQWSA-N -2 1 339.413 2.991 20 0 EFADML CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000547936854 318053872 /nfs/dbraw/zinc/05/38/72/318053872.db2.gz TXUCZMARXMSUNE-ONGXEEELSA-N -2 1 335.372 2.523 20 0 EFADML CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548260773 318087032 /nfs/dbraw/zinc/08/70/32/318087032.db2.gz QHOYXPHKIDOCHO-LBPRGKRZSA-N -2 1 325.386 2.601 20 0 EFADML O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000554678126 318332320 /nfs/dbraw/zinc/33/23/20/318332320.db2.gz ZHKWTQBWOYCHDN-GFCCVEGCSA-N -2 1 347.383 2.667 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC(=O)[O-])c(F)c1 ZINC000570626470 319495390 /nfs/dbraw/zinc/49/53/90/319495390.db2.gz PCXBJFDMXCGMKS-ZWNOBZJWSA-N -2 1 347.383 2.585 20 0 EFADML Cc1nc(-c2ccc(N3CCC[C@](C)(C(=O)[O-])C3)nc2)[n-]c(=O)c1C ZINC000573970621 319816928 /nfs/dbraw/zinc/81/69/28/319816928.db2.gz HZRWLMXQBZKTRC-SFHVURJKSA-N -2 1 342.399 2.552 20 0 EFADML O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000578715477 320231117 /nfs/dbraw/zinc/23/11/17/320231117.db2.gz CLAKVNNVKMMRLI-CQSZACIVSA-N -2 1 345.376 2.580 20 0 EFADML COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000387792599 323767129 /nfs/dbraw/zinc/76/71/29/323767129.db2.gz LOTFRPOYHVFKRY-UHFFFAOYSA-N -2 1 341.410 2.702 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)ccc1F ZINC000389843388 323773994 /nfs/dbraw/zinc/77/39/94/323773994.db2.gz ZBLFBUGWAQSUNW-UHFFFAOYSA-N -2 1 345.373 2.703 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(C)c1 ZINC000112284418 473252456 /nfs/dbraw/zinc/25/24/56/473252456.db2.gz MINIFDKOFASICX-UHFFFAOYSA-N -2 1 327.383 2.564 20 0 EFADML CCO[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-])C1CC1 ZINC000629292653 480203773 /nfs/dbraw/zinc/20/37/73/480203773.db2.gz ULOYFRHSDFPFIS-CYBMUJFWSA-N -2 1 347.820 2.595 20 0 EFADML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000014097284 471851574 /nfs/dbraw/zinc/85/15/74/471851574.db2.gz BIIAYGXEDGAZMT-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)c(C(=O)[O-])c1 ZINC000034059436 471989199 /nfs/dbraw/zinc/98/91/99/471989199.db2.gz FEEQBFQOABGGEV-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000035295954 471995053 /nfs/dbraw/zinc/99/50/53/471995053.db2.gz QPAWPUVAEGXFFD-UHFFFAOYSA-N -2 1 325.773 2.768 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000075582454 472162274 /nfs/dbraw/zinc/16/22/74/472162274.db2.gz AJXZSSGHXJZZRE-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000042794860 472170193 /nfs/dbraw/zinc/17/01/93/472170193.db2.gz MYCCRQXXYQLSID-UHFFFAOYSA-N -2 1 345.380 2.624 20 0 EFADML O=C([O-])CCOc1cccc(/C=C2\Oc3cc([O-])ccc3C2=O)c1 ZINC000069621622 472383300 /nfs/dbraw/zinc/38/33/00/472383300.db2.gz JDLOUMQYOPDIAG-SXGWCWSVSA-N -2 1 326.304 2.862 20 0 EFADML Cc1cc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2[nH]1 ZINC000031721953 472390297 /nfs/dbraw/zinc/39/02/97/472390297.db2.gz SAVZEHMRKBBRLM-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000058368594 472556023 /nfs/dbraw/zinc/55/60/23/472556023.db2.gz LRQVTILXBPTSEZ-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000047202335 472670067 /nfs/dbraw/zinc/67/00/67/472670067.db2.gz WGIYYPXPRWEBCM-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1F ZINC000078711076 472757433 /nfs/dbraw/zinc/75/74/33/472757433.db2.gz HKGALFYSECJULB-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(Cl)cc1[O-] ZINC000073351093 472801359 /nfs/dbraw/zinc/80/13/59/472801359.db2.gz HKKTZDHWYCQRCP-UHFFFAOYSA-N -2 1 349.799 2.616 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC000136379903 473156128 /nfs/dbraw/zinc/15/61/28/473156128.db2.gz PULVNGMNTJPXNI-UHFFFAOYSA-N -2 1 330.365 2.620 20 0 EFADML C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000123909099 473196590 /nfs/dbraw/zinc/19/65/90/473196590.db2.gz LSRRLWBKBCKPGQ-ZCFIWIBFSA-N -2 1 346.257 2.834 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1F ZINC000151437314 473457760 /nfs/dbraw/zinc/45/77/60/473457760.db2.gz WRBLMWNYMPQXLE-UHFFFAOYSA-N -2 1 337.372 2.816 20 0 EFADML Cc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1C(=O)[O-] ZINC000191033672 473461438 /nfs/dbraw/zinc/46/14/38/473461438.db2.gz VCTAAXQOURONPD-UHFFFAOYSA-N -2 1 343.383 2.635 20 0 EFADML Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C(=O)[O-] ZINC000193359934 473783841 /nfs/dbraw/zinc/78/38/41/473783841.db2.gz UGRSCSURKYSGHD-UHFFFAOYSA-N -2 1 344.392 2.869 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccccc2CC#N)cc(C(=O)[O-])c1C ZINC000193359054 473784342 /nfs/dbraw/zinc/78/43/42/473784342.db2.gz VGXWTDKVOSUSCG-UHFFFAOYSA-N -2 1 344.392 2.869 20 0 EFADML Cc1nc(C)c(CCC(=O)Nc2cc(Cl)c(O)cc2F)c(=O)[nH]1 ZINC000288122557 473853822 /nfs/dbraw/zinc/85/38/22/473853822.db2.gz JJRTXDKEZFNLBH-UHFFFAOYSA-N -2 1 339.754 2.868 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1 ZINC000175016348 474131443 /nfs/dbraw/zinc/13/14/43/474131443.db2.gz XCEOHUTXPAYXEE-UHFFFAOYSA-N -2 1 330.365 2.596 20 0 EFADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000229764363 474254969 /nfs/dbraw/zinc/25/49/69/474254969.db2.gz CMSCNRAHJSKFQX-UHFFFAOYSA-N -2 1 327.383 2.570 20 0 EFADML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1 ZINC000338875427 474692528 /nfs/dbraw/zinc/69/25/28/474692528.db2.gz JYAPZYCHIOWZLF-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1 ZINC000315332035 474870773 /nfs/dbraw/zinc/87/07/73/474870773.db2.gz IXYXSNHGMVZTMC-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(F)c1 ZINC000316676197 474879158 /nfs/dbraw/zinc/87/91/58/474879158.db2.gz FBHDZWOSIVBWFZ-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000316544231 474879186 /nfs/dbraw/zinc/87/91/86/474879186.db2.gz CMDLLBNWYGCGOE-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000318898277 474895918 /nfs/dbraw/zinc/89/59/18/474895918.db2.gz PZIHVWOVGRMKME-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000319238022 474898893 /nfs/dbraw/zinc/89/88/93/474898893.db2.gz VZFRBHPIKZTFTE-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c1 ZINC000322054244 474933470 /nfs/dbraw/zinc/93/34/70/474933470.db2.gz BDZHQDNSOYJTRW-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000324018843 474960326 /nfs/dbraw/zinc/96/03/26/474960326.db2.gz MXWGJRMMKYBJMT-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1C ZINC000324429992 474969943 /nfs/dbraw/zinc/96/99/43/474969943.db2.gz PTNJRLPBTYBHKI-UHFFFAOYSA-N -2 1 348.355 2.813 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C)c1O ZINC000324822157 474977414 /nfs/dbraw/zinc/97/74/14/474977414.db2.gz HAKRZQAQHYWMCP-UHFFFAOYSA-N -2 1 349.408 2.827 20 0 EFADML CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000357897348 475242243 /nfs/dbraw/zinc/24/22/43/475242243.db2.gz PXJKHWVVENQBSI-UHFFFAOYSA-N -2 1 347.392 2.707 20 0 EFADML Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000331328696 475339366 /nfs/dbraw/zinc/33/93/66/475339366.db2.gz NSTVVNKDALJODV-UHFFFAOYSA-N -2 1 349.334 2.562 20 0 EFADML Cc1cc(C(=O)N2CC(C)(C)CC(C)(C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000332546106 475665753 /nfs/dbraw/zinc/66/57/53/475665753.db2.gz MUIOPKINEYBGCA-UHFFFAOYSA-N -2 1 344.415 2.643 20 0 EFADML COCc1cccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000348475706 475688863 /nfs/dbraw/zinc/68/88/63/475688863.db2.gz OMHDEGJTEAGCQA-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000348480030 475690953 /nfs/dbraw/zinc/69/09/53/475690953.db2.gz USHBODLPUJEOLK-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C ZINC000340130164 475781317 /nfs/dbraw/zinc/78/13/17/475781317.db2.gz SOBDVFZGOSEVFR-UHFFFAOYSA-N -2 1 347.392 2.626 20 0 EFADML CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000362239174 476102516 /nfs/dbraw/zinc/10/25/16/476102516.db2.gz XVBORNXSOIOCLC-SNVBAGLBSA-N -2 1 335.372 2.523 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)s1 ZINC000336848427 476140345 /nfs/dbraw/zinc/14/03/45/476140345.db2.gz JWCPAMLUUVTYFL-UHFFFAOYSA-N -2 1 329.374 2.949 20 0 EFADML Cn1ccc2ccc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)cc21 ZINC000362304252 476156179 /nfs/dbraw/zinc/15/61/79/476156179.db2.gz FFQKTUODTMRIPB-UHFFFAOYSA-N -2 1 348.355 2.816 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000357069171 476202792 /nfs/dbraw/zinc/20/27/92/476202792.db2.gz HLPMLAUTPRBABU-UHFFFAOYSA-N -2 1 331.349 2.861 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000357109625 476238375 /nfs/dbraw/zinc/23/83/75/476238375.db2.gz WIYFBGANBRBUGG-UHFFFAOYSA-N -2 1 330.365 2.596 20 0 EFADML CSc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C ZINC000340779836 476266748 /nfs/dbraw/zinc/26/67/48/476266748.db2.gz BXWKAGSADNWMAQ-UHFFFAOYSA-N -2 1 326.399 2.544 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000337034517 476273813 /nfs/dbraw/zinc/27/38/13/476273813.db2.gz HUEIECCNZKEAOO-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML CCOCc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000360854899 476429718 /nfs/dbraw/zinc/42/97/18/476429718.db2.gz DBBCXWVNEZRXJC-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000390307565 476791621 /nfs/dbraw/zinc/79/16/21/476791621.db2.gz FEUJQSWCWWNCNS-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000413991203 476824196 /nfs/dbraw/zinc/82/41/96/476824196.db2.gz OCYNKFPGUXOGNJ-GHMZBOCLSA-N -2 1 344.415 2.689 20 0 EFADML Cc1cc(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000413991205 476824293 /nfs/dbraw/zinc/82/42/93/476824293.db2.gz OCYNKFPGUXOGNJ-MNOVXSKESA-N -2 1 344.415 2.689 20 0 EFADML Cc1cc(C(=O)N2CC[C@@H](CC(C)(C)C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000457026577 476835893 /nfs/dbraw/zinc/83/58/93/476835893.db2.gz QJCZCLJQIYGSJK-NSHDSACASA-N -2 1 344.415 2.643 20 0 EFADML CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000457350950 476984871 /nfs/dbraw/zinc/98/48/71/476984871.db2.gz VUHNZZDWROEVFL-VIFPVBQESA-N -2 1 339.866 2.959 20 0 EFADML CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(OC)c1 ZINC000432782699 477265570 /nfs/dbraw/zinc/26/55/70/477265570.db2.gz YIMSPLPCFVFVSH-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML CCc1ccc(CC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000435975043 477401947 /nfs/dbraw/zinc/40/19/47/477401947.db2.gz RYSJDXOHSQJYQT-UHFFFAOYSA-N -2 1 336.413 2.649 20 0 EFADML O=S(=O)([N-]c1ccccc1O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436477591 477489608 /nfs/dbraw/zinc/48/96/08/477489608.db2.gz IVCCQWBSBBQDDW-UHFFFAOYSA-N -2 1 333.287 2.917 20 0 EFADML COC(=O)c1ccc([O-])c(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000436510818 477500236 /nfs/dbraw/zinc/50/02/36/477500236.db2.gz UUHNMFJOCQGYPW-UHFFFAOYSA-N -2 1 341.241 2.554 20 0 EFADML O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000436892509 477627075 /nfs/dbraw/zinc/62/70/75/477627075.db2.gz KCGYUJUMGWHGRA-UHFFFAOYSA-N -2 1 327.745 2.545 20 0 EFADML COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000562645086 478295562 /nfs/dbraw/zinc/29/55/62/478295562.db2.gz YGTNRPMKKZLTHI-UHFFFAOYSA-N -2 1 345.392 2.855 20 0 EFADML CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000572117805 478756266 /nfs/dbraw/zinc/75/62/66/478756266.db2.gz BYSIXBAPXCPCGI-UHFFFAOYSA-N -2 1 343.376 2.884 20 0 EFADML C[C@H](N=c1ccc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n[n-]1)c1ccccc1 ZINC000573210645 479016293 /nfs/dbraw/zinc/01/62/93/479016293.db2.gz QEHHMJGCOYXSKV-BIENJYKASA-N -2 1 340.427 2.619 20 0 EFADML CCC[C@@H](CCCC[N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000565651008 479053908 /nfs/dbraw/zinc/05/39/08/479053908.db2.gz WGEBUKDUYHAXLW-NSHDSACASA-N -2 1 349.399 2.914 20 0 EFADML C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000650426521 481089248 /nfs/dbraw/zinc/08/92/48/481089248.db2.gz MLEDHSPEDIFUST-YFKPBYRVSA-N -2 1 344.241 2.587 20 0 EFADML CCOc1cc(C(=O)NC2(CC(=O)[O-])CCC2)cc(Cl)c1[O-] ZINC000653321266 481225601 /nfs/dbraw/zinc/22/56/01/481225601.db2.gz IZWMPCHMNXEJST-UHFFFAOYSA-N -2 1 327.764 2.572 20 0 EFADML Cc1nc(-c2ccc(NCC3(C(=O)[O-])CCC3)nc2)[n-]c(=O)c1C ZINC000662898454 482009807 /nfs/dbraw/zinc/00/98/07/482009807.db2.gz WEUMSESHAYLJTO-UHFFFAOYSA-N -2 1 328.372 2.528 20 0 EFADML Cc1nc(-c2ccc(NC[C@@H](C(=O)[O-])C3CCC3)nc2)[n-]c(=O)c1C ZINC000662901815 482011440 /nfs/dbraw/zinc/01/14/40/482011440.db2.gz JUFMDODWADNUNW-CQSZACIVSA-N -2 1 342.399 2.774 20 0 EFADML Cc1nc(-c2ccc(NC[C@H](C(=O)[O-])C3CCC3)nc2)[n-]c(=O)c1C ZINC000662901812 482011465 /nfs/dbraw/zinc/01/14/65/482011465.db2.gz JUFMDODWADNUNW-AWEZNQCLSA-N -2 1 342.399 2.774 20 0 EFADML Cc1nc(-c2ccc(NCC3(C(=O)[O-])CCCC3)nc2)[n-]c(=O)c1C ZINC000649402048 482062067 /nfs/dbraw/zinc/06/20/67/482062067.db2.gz ITAZFDDMULDRHD-UHFFFAOYSA-N -2 1 342.399 2.918 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1Cl ZINC000230455755 526383417 /nfs/dbraw/zinc/38/34/17/526383417.db2.gz XQPBSUXIKWIMNI-UHFFFAOYSA-N -2 1 327.745 2.545 20 0 EFADML CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)cc1[O-])C1CCCCC1 ZINC000656626023 546868002 /nfs/dbraw/zinc/86/80/02/546868002.db2.gz KUZGBGRAIRPZHI-HNNXBMFYSA-N -2 1 331.409 2.868 20 0 EFADML CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000681578587 549570270 /nfs/dbraw/zinc/57/02/70/549570270.db2.gz FBRVKIMNPGNFMW-PWSUYJOCSA-N -2 1 325.386 2.601 20 0 EFADML CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000681578583 549570614 /nfs/dbraw/zinc/57/06/14/549570614.db2.gz FBRVKIMNPGNFMW-JQWIXIFHSA-N -2 1 325.386 2.601 20 0 EFADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000315235941 597313115 /nfs/dbraw/zinc/31/31/15/597313115.db2.gz SHUXVABYFJTMOY-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML Cc1oc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1C(=O)[O-] ZINC000390886022 599852792 /nfs/dbraw/zinc/85/27/92/599852792.db2.gz WBXFIARPSXUCJN-UHFFFAOYSA-N -2 1 349.286 2.813 20 0 EFADML O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000739766994 599853964 /nfs/dbraw/zinc/85/39/64/599853964.db2.gz PXISXEUGUZKOGR-UHFFFAOYSA-N -2 1 347.392 2.535 20 0 EFADML CSc1ccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000738212187 600255653 /nfs/dbraw/zinc/25/56/53/600255653.db2.gz KHRDYSPSNHBWFI-UHFFFAOYSA-N -2 1 326.399 2.544 20 0 EFADML O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000740000027 600302974 /nfs/dbraw/zinc/30/29/74/600302974.db2.gz AYIYLECWCJHMKV-UHFFFAOYSA-N -2 1 340.788 2.908 20 0 EFADML O=C([O-])[C@H]1CC12CCN(C(=O)c1cc3ccccc3cc1[O-])CC2 ZINC000739533447 600318506 /nfs/dbraw/zinc/31/85/06/600318506.db2.gz CWGRAMZVVOUDJM-OAHLLOKOSA-N -2 1 325.364 2.872 20 0 EFADML O=C([O-])CCCOc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000739686796 600481396 /nfs/dbraw/zinc/48/13/96/600481396.db2.gz ASPLHRIUSICQGS-UHFFFAOYSA-N -2 1 331.324 2.594 20 0 EFADML O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000740147168 600565750 /nfs/dbraw/zinc/56/57/50/600565750.db2.gz ZQGJNFIUJBAYRE-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML O=C([O-])CCc1nnc(NC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000739777273 600631135 /nfs/dbraw/zinc/63/11/35/600631135.db2.gz MKKUVMOJOMKOKI-UHFFFAOYSA-N -2 1 343.364 2.666 20 0 EFADML O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000320336737 600666953 /nfs/dbraw/zinc/66/69/53/600666953.db2.gz NQOODLNURFTXLR-LBPRGKRZSA-N -2 1 331.393 2.578 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)cc1C(=O)[O-] ZINC000319978005 600829207 /nfs/dbraw/zinc/82/92/07/600829207.db2.gz FIDJTRPGRCQKMA-UHFFFAOYSA-N -2 1 334.397 2.560 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000825956790 601071469 /nfs/dbraw/zinc/07/14/69/601071469.db2.gz GGOYRPPMZMTQPO-UHFFFAOYSA-N -2 1 334.349 2.754 20 0 EFADML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000063878702 601157836 /nfs/dbraw/zinc/15/78/36/601157836.db2.gz GSARUGHYKSUUNM-UHFFFAOYSA-N -2 1 334.328 2.505 20 0 EFADML CSc1ccc([C@H](CC(=O)[O-])[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000832777080 601283278 /nfs/dbraw/zinc/28/32/78/601283278.db2.gz CAUBJBFKJZTRSE-VIFPVBQESA-N -2 1 339.310 2.941 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1O ZINC000323098592 601331975 /nfs/dbraw/zinc/33/19/75/601331975.db2.gz ZTHWWMFUNJUFEG-WEVVVXLNSA-N -2 1 333.365 2.599 20 0 EFADML O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000833344912 601383373 /nfs/dbraw/zinc/38/33/73/601383373.db2.gz LNGIPZXJBBZHPZ-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML CCc1oc(C(=O)[O-])cc1COC(=O)c1c([O-])cc(F)cc1F ZINC000830388622 601464370 /nfs/dbraw/zinc/46/43/70/601464370.db2.gz GYRDCYAWECVYBB-UHFFFAOYSA-N -2 1 326.251 2.881 20 0 EFADML CCCCC[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000829341360 601562939 /nfs/dbraw/zinc/56/29/39/601562939.db2.gz YBWGIGDYBTWKFE-GFCCVEGCSA-N -2 1 325.386 2.745 20 0 EFADML O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCCCC1 ZINC000833169168 601597025 /nfs/dbraw/zinc/59/70/25/601597025.db2.gz JTVCDVYTPNTMSI-HNNXBMFYSA-N -2 1 337.397 2.745 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2F)ccc1Cl ZINC000743260955 601830086 /nfs/dbraw/zinc/83/00/86/601830086.db2.gz LWDQLFWXLDOAQS-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1 ZINC000317556119 601843491 /nfs/dbraw/zinc/84/34/91/601843491.db2.gz NHDFQQAHFBPEHV-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML O=C([O-])c1ccc2nc(SCCC[N-]C(=O)C(F)(F)F)oc2c1 ZINC000833326533 601903436 /nfs/dbraw/zinc/90/34/36/601903436.db2.gz RNWVOOPIXOHNAX-UHFFFAOYSA-N -2 1 348.302 2.687 20 0 EFADML CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)[nH]n1 ZINC000829216416 602102577 /nfs/dbraw/zinc/10/25/77/602102577.db2.gz MQYIDHHSDDXCTP-QMMMGPOBSA-N -2 1 343.430 2.874 20 0 EFADML Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000319606403 602158594 /nfs/dbraw/zinc/15/85/94/602158594.db2.gz LVMIIFPLBPYHME-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC000149055969 605301818 /nfs/dbraw/zinc/30/18/18/605301818.db2.gz AMHZAJXOUFBEQV-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc2n[n-]c(=S)n2c1 ZINC000805255021 1280498626 /nfs/dbraw/zinc/49/86/26/1280498626.db2.gz KPSYFXWQUOLENO-UHFFFAOYSA-N -2 1 338.751 2.768 20 0 EFADML C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC(C)(C)C1 ZINC001148927267 1281825306 /nfs/dbraw/zinc/82/53/06/1281825306.db2.gz KPXZLIXICFORAU-MNOVXSKESA-N -2 1 341.429 2.584 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nc2)cc1C(=O)[O-] ZINC001184667952 1290493176 /nfs/dbraw/zinc/49/31/76/1290493176.db2.gz OFJDGBZHVQWHHH-UHFFFAOYSA-N -2 1 332.381 2.766 20 0 EFADML O=C([N-]c1nnc(-c2ccco2)o1)c1cc(F)c(F)c([O-])c1F ZINC001186767854 1291016297 /nfs/dbraw/zinc/01/62/97/1291016297.db2.gz SWZKJCVDXFDHAD-UHFFFAOYSA-N -2 1 325.202 2.705 20 0 EFADML O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(O)ccc2F)c1 ZINC001187581606 1291198758 /nfs/dbraw/zinc/19/87/58/1291198758.db2.gz KOPJIWGCFDMORN-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(O)c2)ccc1Cl ZINC001188308557 1291375636 /nfs/dbraw/zinc/37/56/36/1291375636.db2.gz IGLZNTFMVAWHDQ-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML O=S(=O)([N-][C@H]1[CH]CC=C1)c1cc(F)c(Br)c(F)c1 ZINC001189064974 1291566930 /nfs/dbraw/zinc/56/69/30/1291566930.db2.gz XITPZELFSJVTRA-SSDOTTSWSA-N -2 1 337.165 2.538 20 0 EFADML C[C@H](O)c1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192100650 1292774525 /nfs/dbraw/zinc/77/45/25/1292774525.db2.gz WSHKNLVOYHTZLG-LBPRGKRZSA-N -2 1 349.408 2.558 20 0 EFADML CCOC(=O)[N-]C(=S)N=c1s[n-]nc1-c1ccc(OC)cc1 ZINC001195458040 1293926048 /nfs/dbraw/zinc/92/60/48/1293926048.db2.gz IGFFHNQSKPOYBW-UHFFFAOYSA-N -2 1 338.414 2.657 20 0 EFADML CCOC(=O)NC(=S)[N-]c1ccc(F)c(Br)c1[O-] ZINC001195491126 1293942154 /nfs/dbraw/zinc/94/21/54/1293942154.db2.gz RRLQAHDLLVSBOT-UHFFFAOYSA-N -2 1 337.170 2.737 20 0 EFADML CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccn1 ZINC001198740298 1295214745 /nfs/dbraw/zinc/21/47/45/1295214745.db2.gz CFGJBGFKNYHRPR-UHFFFAOYSA-N -2 1 334.397 2.878 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1C ZINC001198789496 1295231543 /nfs/dbraw/zinc/23/15/43/1295231543.db2.gz FDRVYLMKFOBPST-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2o1 ZINC001198780043 1295248805 /nfs/dbraw/zinc/24/88/05/1295248805.db2.gz YTWKLPUWMCUYBP-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198780039 1295249626 /nfs/dbraw/zinc/24/96/26/1295249626.db2.gz YQWUVWKQROMHEJ-UHFFFAOYSA-N -2 1 348.380 2.534 20 0 EFADML O=C(c1ccc(-c2cc([S-])cc([S-])c2)cc1)N1CCNCC1 ZINC001240132322 1313994543 /nfs/dbraw/zinc/99/45/43/1313994543.db2.gz NOZNNOUOGWJDHH-UHFFFAOYSA-N -2 1 330.478 2.976 20 0 EFADML CN1CCN(c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2)CC1 ZINC001242161451 1314186814 /nfs/dbraw/zinc/18/68/14/1314186814.db2.gz AHQAVNWLRWVANU-UHFFFAOYSA-N -2 1 340.379 2.502 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2cc(F)cc(C(=O)[O-])c2)c1 ZINC001209889716 1314254511 /nfs/dbraw/zinc/25/45/11/1314254511.db2.gz SCZIGULZXMCRNP-UHFFFAOYSA-N -2 1 339.344 2.767 20 0 EFADML CCOc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc(Cl)c1[O-] ZINC000902172825 1311506698 /nfs/dbraw/zinc/50/66/98/1311506698.db2.gz FMWASVKAVGFEPA-KOLCDFICSA-N -2 1 341.791 2.627 20 0 EFADML COc1cccc2c1[C@@H](Oc1nc3[nH]cnc3c(=S)[nH]1)CCO2 ZINC001226786325 1311722726 /nfs/dbraw/zinc/72/27/26/1311722726.db2.gz PQCWSUDBLIYQQI-JTQLQIEISA-N -2 1 330.369 2.553 20 0 EFADML FC(F)(F)[C@H](Oc1nc2[nH]cnc2c(=S)[nH]1)c1cccnc1 ZINC001226786253 1311722847 /nfs/dbraw/zinc/72/28/47/1311722847.db2.gz PELNXHIFLUIAIZ-MRVPVSSYSA-N -2 1 327.291 2.719 20 0 EFADML FC(F)(F)[C@@H](Oc1nc2[nH]cnc2c(=S)[nH]1)c1cccnc1 ZINC001226786260 1311722865 /nfs/dbraw/zinc/72/28/65/1311722865.db2.gz PELNXHIFLUIAIZ-QMMMGPOBSA-N -2 1 327.291 2.719 20 0 EFADML CC(C)Oc1cc(COc2nc3ncnc-3c([S-])[n-]2)cnc1F ZINC001226786931 1311723736 /nfs/dbraw/zinc/72/37/36/1311723736.db2.gz UBBQIJDBGDOQPW-UHFFFAOYSA-N -2 1 335.364 2.542 20 0 EFADML O=c1cc(CC2CCCCC2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245939646 1314552414 /nfs/dbraw/zinc/55/24/14/1314552414.db2.gz LSIPVXKEOOHCFJ-UHFFFAOYSA-N -2 1 336.413 2.947 20 0 EFADML CCOC(=O)c1nnsc1[N-]c1cc(C(=O)[O-])c(Cl)cc1F ZINC001214739786 1314733517 /nfs/dbraw/zinc/73/35/17/1314733517.db2.gz FBXNMAWEOGKYLE-UHFFFAOYSA-N -2 1 345.739 2.949 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2c(F)cc(C(=O)[O-])cc2F)c1 ZINC001215614578 1314857411 /nfs/dbraw/zinc/85/74/11/1314857411.db2.gz LPXKYBRNLXXQHR-UHFFFAOYSA-N -2 1 343.307 2.516 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2N)cc(C)c1C(=O)[O-] ZINC001216312273 1314939707 /nfs/dbraw/zinc/93/97/07/1314939707.db2.gz JXWKFISNSWKWHS-UHFFFAOYSA-N -2 1 338.360 2.524 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2F)c1F ZINC000749141399 1315085688 /nfs/dbraw/zinc/08/56/88/1315085688.db2.gz JCSWTMSPKMLOQU-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)cc1 ZINC001259445769 1316244279 /nfs/dbraw/zinc/24/42/79/1316244279.db2.gz SYARNQGCZOHUHQ-UHFFFAOYSA-N -2 1 343.307 2.787 20 0 EFADML O=S(=O)([N-]c1nc(Br)ccc1[O-])C1CCCCC1 ZINC001259808496 1316281696 /nfs/dbraw/zinc/28/16/96/1316281696.db2.gz JEFCMSMWBXLLSF-UHFFFAOYSA-N -2 1 335.223 2.624 20 0 EFADML O=S(=O)([N-][C@@H]1[CH]CC=C1)c1cc(Br)c(Cl)s1 ZINC001260495280 1316342138 /nfs/dbraw/zinc/34/21/38/1316342138.db2.gz WKFQQBLWUKVOHX-LURJTMIESA-N -2 1 341.659 2.975 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccc2ccccc21 ZINC000826450783 1427337174 /nfs/dbraw/zinc/33/71/74/1427337174.db2.gz DFDKCNBOWZLYCJ-UHFFFAOYSA-N -2 1 331.335 2.978 20 0 EFADML O=C([O-])[C@@H]1C[C@H]2C[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3[O-])[C@H]2C1 ZINC001551452278 1414078653 /nfs/dbraw/zinc/07/86/53/1414078653.db2.gz ZGVWSDCXPAGSDL-IZLWQMGWSA-N -2 1 343.301 2.640 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC001645788720 1416558469 /nfs/dbraw/zinc/55/84/69/1416558469.db2.gz VZHDZZDKFXWDCM-UHFFFAOYSA-N -2 1 348.302 2.841 20 0 EFADML Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000128939266 1423223661 /nfs/dbraw/zinc/22/36/61/1423223661.db2.gz PLCSCFLABJOKQU-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000128939266 1423223665 /nfs/dbraw/zinc/22/36/65/1423223665.db2.gz PLCSCFLABJOKQU-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML CC(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000074803992 1423394008 /nfs/dbraw/zinc/39/40/08/1423394008.db2.gz PYYTYEIUKZYIEZ-UHFFFAOYSA-N -2 1 343.412 2.791 20 0 EFADML CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000074803992 1423394015 /nfs/dbraw/zinc/39/40/15/1423394015.db2.gz PYYTYEIUKZYIEZ-UHFFFAOYSA-N -2 1 343.412 2.791 20 0 EFADML O=C([O-])C1(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCCCC1 ZINC000013254242 1424274551 /nfs/dbraw/zinc/27/45/51/1424274551.db2.gz QPIAMVPDSUSQFM-UHFFFAOYSA-N -2 1 343.387 2.621 20 0 EFADML O=C([O-])c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000826462441 1425783741 /nfs/dbraw/zinc/78/37/41/1425783741.db2.gz YLBHKZOTVKQIPG-HWKANZROSA-N -2 1 327.731 2.784 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000342957047 1427649300 /nfs/dbraw/zinc/64/93/00/1427649300.db2.gz JJMFYJSKZSJVNB-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML O=C(CCc1ccc(Cl)s1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822978915 1427781707 /nfs/dbraw/zinc/78/17/07/1427781707.db2.gz TVHLICWSMGUGLZ-UHFFFAOYSA-N -2 1 349.803 2.859 20 0 EFADML Cc1c2ccccc2oc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822020474 1443335874 /nfs/dbraw/zinc/33/58/74/1443335874.db2.gz DCUUENTVQKAQFL-UHFFFAOYSA-N -2 1 335.323 2.879 20 0 EFADML C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824522422 1443532527 /nfs/dbraw/zinc/53/25/27/1443532527.db2.gz SKBKHECMKDBGTH-VIFPVBQESA-N -2 1 343.774 2.717 20 0 EFADML C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397531 1443811453 /nfs/dbraw/zinc/81/14/53/1443811453.db2.gz PUOAUBCQLPZYRD-SECBINFHSA-N -2 1 343.774 2.717 20 0 EFADML Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826316457 1446844756 /nfs/dbraw/zinc/84/47/56/1446844756.db2.gz OTSHLJYBVVXWBQ-GHMZBOCLSA-N -2 1 341.396 2.684 20 0 EFADML Cc1cc2nc([N-]C(=O)Cc3ccc(-c4nn[n-]n4)cc3)oc2c(C)c1 ZINC000822196446 1446925576 /nfs/dbraw/zinc/92/55/76/1446925576.db2.gz JRNOQHWSJGIUMH-UHFFFAOYSA-N -2 1 348.366 2.806 20 0 EFADML Cc1cc2nc([N-]C(=O)Cc3ccc(-c4nnn[n-]4)cc3)oc2c(C)c1 ZINC000822196446 1446925577 /nfs/dbraw/zinc/92/55/77/1446925577.db2.gz JRNOQHWSJGIUMH-UHFFFAOYSA-N -2 1 348.366 2.806 20 0 EFADML Cc1nc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)[n-]c(=O)c1C ZINC000826327741 1449020706 /nfs/dbraw/zinc/02/07/06/1449020706.db2.gz SRCWYEGPIMJKCU-SNVBAGLBSA-N -2 1 328.401 2.832 20 0 EFADML Cc1nc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)[n-]c(=O)c1C ZINC000826327741 1449020711 /nfs/dbraw/zinc/02/07/11/1449020711.db2.gz SRCWYEGPIMJKCU-SNVBAGLBSA-N -2 1 328.401 2.832 20 0 EFADML O=C(c1ccc([O-])cc1)C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826472939 1449578277 /nfs/dbraw/zinc/57/82/77/1449578277.db2.gz DCKRJLCEIJOYDW-UHFFFAOYSA-N -2 1 349.394 2.672 20 0 EFADML CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(C(=O)[O-])cc1 ZINC000825353331 1450000517 /nfs/dbraw/zinc/00/05/17/1450000517.db2.gz VRTGGHNLSGXLQD-UHFFFAOYSA-N -2 1 348.366 2.992 20 0 EFADML Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826316458 1450298015 /nfs/dbraw/zinc/29/80/15/1450298015.db2.gz OTSHLJYBVVXWBQ-MNOVXSKESA-N -2 1 341.396 2.684 20 0 EFADML O=C([N-][N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CCCC1 ZINC000029048914 723321618 /nfs/dbraw/zinc/32/16/18/723321618.db2.gz KXLLDCJUODYXJW-UHFFFAOYSA-N -2 1 343.257 2.555 20 0 EFADML CCCC[C@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)C(=O)[O-] ZINC000263556463 725894977 /nfs/dbraw/zinc/89/49/77/725894977.db2.gz OOEBBFWOGYGVGB-ZDUSSCGKSA-N -2 1 330.388 2.916 20 0 EFADML CCOc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc(Cl)c1[O-] ZINC000908971383 727295634 /nfs/dbraw/zinc/29/56/34/727295634.db2.gz JVAWVSRFFKAVQK-LBPRGKRZSA-N -2 1 329.780 2.673 20 0 EFADML CCOc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000909781654 727377084 /nfs/dbraw/zinc/37/70/84/727377084.db2.gz PLALXMQICSGSJA-SKDRFNHKSA-N -2 1 341.791 2.770 20 0 EFADML CCOc1cc(C(=O)N(CC(=O)[O-])C2CCCC2)cc(Cl)c1[O-] ZINC000910064621 727409381 /nfs/dbraw/zinc/40/93/81/727409381.db2.gz ODFJCBLXBYEYQW-UHFFFAOYSA-N -2 1 341.791 2.914 20 0 EFADML CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000910137933 727414528 /nfs/dbraw/zinc/41/45/28/727414528.db2.gz XUPKTIRXLRXFKG-CMPLNLGQSA-N -2 1 341.791 2.818 20 0 EFADML CCOc1cc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000910257118 727424589 /nfs/dbraw/zinc/42/45/89/727424589.db2.gz XLTSMZKNBLQYDM-JDNHERCYSA-N -2 1 341.791 2.627 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])Cc2ccccc21 ZINC001601847384 971075098 /nfs/dbraw/zinc/07/50/98/971075098.db2.gz HBWASPBYVXNEOC-MRXNPFEDSA-N -2 1 348.358 2.765 20 0 EFADML Cc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2[nH]1 ZINC000324836857 971162151 /nfs/dbraw/zinc/16/21/51/971162151.db2.gz DGDMNVAYSWTZCV-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML O=C([O-])CC1(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCCC1 ZINC000326640250 971312065 /nfs/dbraw/zinc/31/20/65/971312065.db2.gz WAEATSKXZJCBJT-UHFFFAOYSA-N -2 1 343.383 2.734 20 0 EFADML O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000044483693 948897618 /nfs/dbraw/zinc/89/76/18/948897618.db2.gz YRFZWJJAUJEWCC-JTQLQIEISA-N -2 1 342.189 2.624 20 0 EFADML O=C([O-])c1ccc(C(=O)Nc2cccc([O-])c2Br)nc1 ZINC001595222019 949263359 /nfs/dbraw/zinc/26/33/59/949263359.db2.gz NSDQEWWLQUUXJS-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000379099348 971599309 /nfs/dbraw/zinc/59/93/09/971599309.db2.gz GQZMFKKDEXBIFW-SCZZXKLOSA-N -2 1 342.189 2.528 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])Cc2ccccc21 ZINC000321067718 951010048 /nfs/dbraw/zinc/01/00/48/951010048.db2.gz QEVUZUFSFQHGRJ-CQSZACIVSA-N -2 1 331.755 2.870 20 0 EFADML C[C@@](CNC(=O)c1c([O-])cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589059813 955719676 /nfs/dbraw/zinc/71/96/76/955719676.db2.gz GWNNWQDAMPRLBF-KRWDZBQOSA-N -2 1 333.771 2.818 20 0 EFADML C[C@](CNC(=O)c1ccc(Cl)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001589062528 955724210 /nfs/dbraw/zinc/72/42/10/955724210.db2.gz BMDRAOVXFRJHSC-QGZVFWFLSA-N -2 1 333.771 2.818 20 0 EFADML Cc1ccccc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000387691915 972132851 /nfs/dbraw/zinc/13/28/51/972132851.db2.gz NNBQWPCBRAJRIB-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML C[C@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115555 956094077 /nfs/dbraw/zinc/09/40/77/956094077.db2.gz WTRUMYRHQRACQU-KPXOXKRLSA-N -2 1 325.792 2.911 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)c1 ZINC000901621344 956380989 /nfs/dbraw/zinc/38/09/89/956380989.db2.gz HYPNRBPIVKZZDT-UHLUBPPHSA-N -2 1 328.162 2.512 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1Cl ZINC000037370831 957271779 /nfs/dbraw/zinc/27/17/79/957271779.db2.gz QYMWYAXZFGVTTJ-UHFFFAOYSA-N -2 1 347.801 2.909 20 0 EFADML Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000047317889 957454684 /nfs/dbraw/zinc/45/46/84/957454684.db2.gz IFVVPFYCLDKBDO-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000094220908 958266759 /nfs/dbraw/zinc/26/67/59/958266759.db2.gz WIFXIKOBZICXHB-SECBINFHSA-N -2 1 332.230 2.587 20 0 EFADML CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000094220907 958266922 /nfs/dbraw/zinc/26/69/22/958266922.db2.gz WIFXIKOBZICXHB-VIFPVBQESA-N -2 1 332.230 2.587 20 0 EFADML CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(Br)cc1[O-] ZINC000136690484 958904850 /nfs/dbraw/zinc/90/48/50/958904850.db2.gz JUGVURHJGQWLOH-LLVKDONJSA-N -2 1 344.205 2.774 20 0 EFADML C[C@@H](C(=O)[O-])c1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC001588604692 959471167 /nfs/dbraw/zinc/47/11/67/959471167.db2.gz XALGLYLZZKSVFD-MRVPVSSYSA-N -2 1 349.343 2.977 20 0 EFADML C[C@H](C(=O)[O-])c1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC001588604695 959471479 /nfs/dbraw/zinc/47/14/79/959471479.db2.gz XALGLYLZZKSVFD-QMMMGPOBSA-N -2 1 349.343 2.977 20 0 EFADML Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000235954064 960535807 /nfs/dbraw/zinc/53/58/07/960535807.db2.gz SOPAUMHUFOHDQM-UHFFFAOYSA-N -2 1 332.790 2.604 20 0 EFADML O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000236442589 960607699 /nfs/dbraw/zinc/60/76/99/960607699.db2.gz RFFBIPGTWOIRMD-NSHDSACASA-N -2 1 342.189 2.624 20 0 EFADML Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260222345 960712980 /nfs/dbraw/zinc/71/29/80/960712980.db2.gz XKVVHUJJZIIBAW-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc2o1 ZINC001338358564 961991677 /nfs/dbraw/zinc/99/16/77/961991677.db2.gz JYEBKKFAERBZOF-UHFFFAOYSA-N -2 1 332.337 2.635 20 0 EFADML O=C([O-])CC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001574692218 962645852 /nfs/dbraw/zinc/64/58/52/962645852.db2.gz SVMRFTBOIVACHP-LLVKDONJSA-N -2 1 340.807 2.832 20 0 EFADML N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000314052372 963704642 /nfs/dbraw/zinc/70/46/42/963704642.db2.gz HHYBDWOIXOGXLT-UHFFFAOYSA-N -2 1 336.756 2.711 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cc1 ZINC000325602459 968039883 /nfs/dbraw/zinc/03/98/83/968039883.db2.gz DMARKOLVQUNBBS-UHFFFAOYSA-N -2 1 347.392 2.707 20 0 EFADML COc1ccc(F)c([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1 ZINC000318619980 970454124 /nfs/dbraw/zinc/45/41/24/970454124.db2.gz WMGHKBUIWDVFTA-UHFFFAOYSA-N -2 1 345.373 2.703 20 0 EFADML C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001603292627 972557147 /nfs/dbraw/zinc/55/71/47/972557147.db2.gz IRFJWTGEFXQPQG-GOSISDBHSA-N -2 1 343.335 2.544 20 0 EFADML CN(Cc1cccc(C(=O)[O-])c1)Cc1nc(=O)c2sccc2[n-]1 ZINC001604188734 972618487 /nfs/dbraw/zinc/61/84/87/972618487.db2.gz NNZXHQBMSLWDGQ-UHFFFAOYSA-N -2 1 329.381 2.727 20 0 EFADML Cc1cscc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000395722762 972826186 /nfs/dbraw/zinc/82/61/86/972826186.db2.gz LQRFASKAWYFINY-UHFFFAOYSA-N -2 1 341.410 2.711 20 0 EFADML O=C([O-])[C@]1(C(=O)Nc2cccc([O-])c2Br)CC=CCC1 ZINC001605942064 972888662 /nfs/dbraw/zinc/88/86/62/972888662.db2.gz HQTISVGXKWVLIH-CQSZACIVSA-N -2 1 340.173 2.904 20 0 EFADML O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001606056269 973167575 /nfs/dbraw/zinc/16/75/75/973167575.db2.gz REOMTLITOJRMQC-QGZVFWFLSA-N -2 1 345.782 2.799 20 0 EFADML CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)cc1 ZINC001591973718 976580451 /nfs/dbraw/zinc/58/04/51/976580451.db2.gz IUQATVHIIDXOBC-UHFFFAOYSA-N -2 1 334.397 2.891 20 0 EFADML C[C@](CC(=O)[O-])(NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC001592305360 977672360 /nfs/dbraw/zinc/67/23/60/977672360.db2.gz ZENOMGDVFFZFFT-CQSZACIVSA-N -2 1 331.290 2.784 20 0 EFADML O=C([O-])C1(CCCC[N-]S(=O)(=O)c2cc(F)ccc2F)CCC1 ZINC000899955302 980235910 /nfs/dbraw/zinc/23/59/10/980235910.db2.gz WMIUZENXHUKKEA-UHFFFAOYSA-N -2 1 347.383 2.668 20 0 EFADML O=C([O-])c1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)nc1 ZINC000900987339 980257462 /nfs/dbraw/zinc/25/74/62/980257462.db2.gz BUICZYFZBRKNIN-UHFFFAOYSA-N -2 1 326.352 2.585 20 0 EFADML O=C([O-])C[C@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCCC1 ZINC000906004348 981166580 /nfs/dbraw/zinc/16/65/80/981166580.db2.gz GKHKFLJMKUUKSQ-JTQLQIEISA-N -2 1 337.850 2.713 20 0 EFADML CC[C@](C)([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)C(F)(F)F ZINC001594853064 982107389 /nfs/dbraw/zinc/10/73/89/982107389.db2.gz FWKPROSLXDBPLM-NSHDSACASA-N -2 1 343.298 2.533 20 0 EFADML CCCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1nc(=O)c2sccc2[n-]1 ZINC001574493655 983250326 /nfs/dbraw/zinc/25/03/26/983250326.db2.gz FMHOLMXYLRJUAF-UHFFFAOYSA-N -2 1 346.412 2.835 20 0 EFADML CCCc1cc(=O)[n-]c(SCC(=O)C(CC)(CC)C(=O)[O-])n1 ZINC001596059049 983367147 /nfs/dbraw/zinc/36/71/47/983367147.db2.gz VWHNJXVOWHVHLN-UHFFFAOYSA-N -2 1 326.418 2.687 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2csc(C(=O)[O-])c2)[n-]c1=O ZINC001596734543 985017365 /nfs/dbraw/zinc/01/73/65/985017365.db2.gz CGBCITVUQLRASS-XBXARRHUSA-N -2 1 334.353 2.679 20 0 EFADML Cc1c(=O)[n-]c(SCC(=O)C2(C(=O)[O-])CC2)nc1-c1ccccc1 ZINC001599969590 985981001 /nfs/dbraw/zinc/98/10/01/985981001.db2.gz KNXPRSIIUPTGNH-UHFFFAOYSA-N -2 1 344.392 2.684 20 0 EFADML CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC001589677697 987697427 /nfs/dbraw/zinc/69/74/27/987697427.db2.gz AGMRZVDYTKTFME-UHFFFAOYSA-N -2 1 339.351 2.814 20 0 EFADML CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001589700057 987789278 /nfs/dbraw/zinc/78/92/78/987789278.db2.gz IYHGMRPCFDCXSF-UHFFFAOYSA-N -2 1 335.372 2.766 20 0 EFADML CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001597465066 987902584 /nfs/dbraw/zinc/90/25/84/987902584.db2.gz QEGLBPOLRAXODU-UHFFFAOYSA-N -2 1 342.351 2.864 20 0 EFADML CC(C)(C)C[C@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)[O-] ZINC001589751311 988051622 /nfs/dbraw/zinc/05/16/22/988051622.db2.gz MVKALWHPQIKDEM-NSHDSACASA-N -2 1 334.347 2.699 20 0 EFADML CC(C)(C)C[C@@H](OC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC001589762055 988096077 /nfs/dbraw/zinc/09/60/77/988096077.db2.gz WKJVIPNFZBSICK-CYBMUJFWSA-N -2 1 332.356 2.624 20 0 EFADML CCc1ccc(C)nc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001597514805 988123682 /nfs/dbraw/zinc/12/36/82/988123682.db2.gz UFZVEUJNPCIDKI-UHFFFAOYSA-N -2 1 334.397 2.593 20 0 EFADML CSc1ccc([O-])c(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599820203 988500071 /nfs/dbraw/zinc/50/00/71/988500071.db2.gz RTEAKLJYDCFPGD-UHFFFAOYSA-N -2 1 347.392 2.854 20 0 EFADML CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC001591423494 992510724 /nfs/dbraw/zinc/51/07/24/992510724.db2.gz RNTPHUBPOUWJLY-NSHDSACASA-N -2 1 344.205 2.726 20 0 EFADML CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC001598522464 992677714 /nfs/dbraw/zinc/67/77/14/992677714.db2.gz ITWSIGLVGVSOIB-UHFFFAOYSA-N -2 1 349.770 2.781 20 0 EFADML C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ncc(C(=O)[O-])s1 ZINC001593188897 994105865 /nfs/dbraw/zinc/10/58/65/994105865.db2.gz JIWBKLZKJIEEIU-MRVPVSSYSA-N -2 1 343.364 2.586 20 0 EFADML C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-])C(F)F ZINC001593324512 994860785 /nfs/dbraw/zinc/86/07/85/994860785.db2.gz AKDLJCGICGLPBJ-SCSAIBSYSA-N -2 1 348.154 2.624 20 0 EFADML C[C@@H](Oc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1F)C(=O)[O-] ZINC001593634683 995927270 /nfs/dbraw/zinc/92/72/70/995927270.db2.gz YCWMNDVOWRVIQC-MRVPVSSYSA-N -2 1 337.278 2.775 20 0 EFADML CC1(C)C(C)(C)C1(C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001593831047 996575049 /nfs/dbraw/zinc/57/50/49/996575049.db2.gz QURFIHZCGCWATK-UHFFFAOYSA-N -2 1 347.383 2.766 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]C(=O)c2ocnc2C(F)F)c1F ZINC001599490901 996937371 /nfs/dbraw/zinc/93/73/71/996937371.db2.gz IZKHEYPOROVTAN-UHFFFAOYSA-N -2 1 330.218 2.710 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001599297317 997168092 /nfs/dbraw/zinc/16/80/92/997168092.db2.gz MEXOSMNCWCLPQE-GFCCVEGCSA-N -2 1 349.408 2.822 20 0 EFADML COC(=O)c1c[n-]c(S[C@H](C(=O)[O-])c2ccc(Cl)cc2)n1 ZINC001598917188 997494290 /nfs/dbraw/zinc/49/42/90/997494290.db2.gz LFTYSSGCJURLOJ-JTQLQIEISA-N -2 1 326.761 2.768 20 0 EFADML COc1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc(Cl)c1[O-] ZINC001599351536 998102625 /nfs/dbraw/zinc/10/26/25/998102625.db2.gz BNTOYZBVWHQABI-NSHDSACASA-N -2 1 347.754 2.883 20 0 EFADML COc1cc(C(=O)[N-]c2nc(-c3ccc(C(=O)[O-])cc3)cs2)on1 ZINC001599356290 998184667 /nfs/dbraw/zinc/18/46/67/998184667.db2.gz FPNRCWXOPYQXAQ-UHFFFAOYSA-N -2 1 345.336 2.757 20 0 EFADML COc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1C(=O)[O-] ZINC001599570365 998354037 /nfs/dbraw/zinc/35/40/37/998354037.db2.gz KNWVCMOLZPIQHO-UHFFFAOYSA-N -2 1 335.743 2.682 20 0 EFADML C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001594348554 999321599 /nfs/dbraw/zinc/32/15/99/999321599.db2.gz PITQPQFMQMTOCH-VHSXEESVSA-N -2 1 347.383 2.768 20 0 EFADML C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001594348553 999321821 /nfs/dbraw/zinc/32/18/21/999321821.db2.gz PITQPQFMQMTOCH-UWVGGRQHSA-N -2 1 347.383 2.768 20 0 EFADML C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CC1 ZINC001594352231 999333160 /nfs/dbraw/zinc/33/31/60/999333160.db2.gz ANDDNDCXCISOCF-DTWKUNHWSA-N -2 1 335.809 2.878 20 0 EFADML C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)[C@H]1C ZINC001594352921 999337001 /nfs/dbraw/zinc/33/70/01/999337001.db2.gz VFRQHEHTOBBSSB-KHQFGBGNSA-N -2 1 335.809 2.734 20 0 EFADML C[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001594361874 999367706 /nfs/dbraw/zinc/36/77/06/999367706.db2.gz OBXMCOTZIOAORT-OQPBUACISA-N -2 1 335.809 2.878 20 0 EFADML CO[C@@H](C)c1cccc(NC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)c1 ZINC001591325084 1093692598 /nfs/dbraw/zinc/69/25/98/1093692598.db2.gz VCPIODQMERSAHQ-JTQLQIEISA-N -2 1 339.355 2.532 20 0 EFADML O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC001593445207 1094309173 /nfs/dbraw/zinc/30/91/73/1094309173.db2.gz CPAJGLDQTOWICT-UHFFFAOYSA-N -2 1 347.425 2.606 20 0 EFADML Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001600198911 1094869922 /nfs/dbraw/zinc/86/99/22/1094869922.db2.gz RSTGKVVPQRVRKD-VXGBXAGGSA-N -2 1 344.333 2.839 20 0 EFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)c1 ZINC001600231609 1094905990 /nfs/dbraw/zinc/90/59/90/1094905990.db2.gz GSFOZXZIHUWBMK-UHFFFAOYSA-N -2 1 337.372 2.952 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc(C(=O)[O-])c1 ZINC001600284144 1094943455 /nfs/dbraw/zinc/94/34/55/1094943455.db2.gz YGMAERFHQQAGKX-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)oc1C(=O)[O-] ZINC001600297643 1094953020 /nfs/dbraw/zinc/95/30/20/1094953020.db2.gz UVWPUZGAHBRZKH-NSHDSACASA-N -2 1 345.323 2.571 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)ccc1C(=O)[O-] ZINC001600301701 1094955569 /nfs/dbraw/zinc/95/55/69/1094955569.db2.gz TWTYMYYXJLBKJS-UHFFFAOYSA-N -2 1 346.408 2.768 20 0 EFADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001600360560 1095002475 /nfs/dbraw/zinc/00/24/75/1095002475.db2.gz UBUQARJODYANFM-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1ccc(CS(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1F ZINC001600421657 1095052704 /nfs/dbraw/zinc/05/27/04/1095052704.db2.gz CNLNUQZKQVBMRO-UHFFFAOYSA-N -2 1 329.374 2.836 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1F ZINC001600463934 1095086460 /nfs/dbraw/zinc/08/64/60/1095086460.db2.gz DQZOSOPSDCGNRQ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)cc1F ZINC001600483306 1095099553 /nfs/dbraw/zinc/09/95/53/1095099553.db2.gz XWZZTFNRQQZZOV-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)[nH]c2c1 ZINC001600488133 1095103989 /nfs/dbraw/zinc/10/39/89/1095103989.db2.gz AIYAQFSOXNPKLC-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])ccc12 ZINC001600674641 1095252420 /nfs/dbraw/zinc/25/24/20/1095252420.db2.gz IABASUSKZJADOA-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])ccc12 ZINC001600674641 1095252434 /nfs/dbraw/zinc/25/24/34/1095252434.db2.gz IABASUSKZJADOA-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC001600910750 1095422126 /nfs/dbraw/zinc/42/21/26/1095422126.db2.gz MAMXHOLKLGFOAN-AWEZNQCLSA-N -2 1 346.358 2.935 20 0 EFADML Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC001600910751 1095422196 /nfs/dbraw/zinc/42/21/96/1095422196.db2.gz MAMXHOLKLGFOAN-CQSZACIVSA-N -2 1 346.358 2.935 20 0 EFADML Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001600978498 1095453344 /nfs/dbraw/zinc/45/33/44/1095453344.db2.gz BJWMHPGWAVLJGP-UHFFFAOYSA-N -2 1 348.355 2.816 20 0 EFADML Nc1c(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cccc1C(=O)[O-] ZINC001601211061 1095556316 /nfs/dbraw/zinc/55/63/16/1095556316.db2.gz IBZOEJXDNWADPJ-UHFFFAOYSA-N -2 1 340.257 2.944 20 0 EFADML O=C([O-])[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC001601360446 1095635826 /nfs/dbraw/zinc/63/58/26/1095635826.db2.gz ARYSUTWOPLVRSO-OAHLLOKOSA-N -2 1 325.792 2.738 20 0 EFADML O=C([O-])C1(NC(=O)c2cc3ccccc3cc2[O-])CCSCC1 ZINC001601430800 1095670924 /nfs/dbraw/zinc/67/09/24/1095670924.db2.gz FRJQIYBSXOARJC-UHFFFAOYSA-N -2 1 331.393 2.626 20 0 EFADML O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc(F)c([O-])c2)c1O ZINC001601589132 1095747486 /nfs/dbraw/zinc/74/74/86/1095747486.db2.gz RQCRZXAOBWTNDZ-UHFFFAOYSA-N -2 1 325.679 2.841 20 0 EFADML O=C([O-])c1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1Cl ZINC001601596047 1095750009 /nfs/dbraw/zinc/75/00/09/1095750009.db2.gz FCXQAECGFAOBIC-UHFFFAOYSA-N -2 1 348.771 2.622 20 0 EFADML O=C([O-])[C@H](CC(F)F)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001601640326 1095780351 /nfs/dbraw/zinc/78/03/51/1095780351.db2.gz LWCLPWAWEPYHOV-QMMMGPOBSA-N -2 1 327.661 2.656 20 0 EFADML O=C([O-])[C@H](C[N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC001601654983 1095786575 /nfs/dbraw/zinc/78/65/75/1095786575.db2.gz HLNPFCCRXJJBTF-SNVBAGLBSA-N -2 1 345.829 2.548 20 0 EFADML O=C([O-])[C@H](CS(=O)(=O)[N-]c1cc(F)cc(F)c1)c1ccccc1 ZINC001601656397 1095788613 /nfs/dbraw/zinc/78/86/13/1095788613.db2.gz HOBJFVPUMMDKDW-CQSZACIVSA-N -2 1 341.335 2.575 20 0 EFADML O=C([O-])[C@H](Cc1ccc(F)cc1)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC001601659657 1095790698 /nfs/dbraw/zinc/79/06/98/1095790698.db2.gz RLGLWYQXWAPFMQ-ZDUSSCGKSA-N -2 1 334.372 2.987 20 0 EFADML O=C([O-])[C@@]1(C(=O)Nc2ccc([O-])c(F)c2F)C[C@@H]1c1ccccc1 ZINC001601702196 1095843238 /nfs/dbraw/zinc/84/32/38/1095843238.db2.gz MOSMKBPFNQYCCG-QGHHPUGFSA-N -2 1 333.290 2.867 20 0 EFADML O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001601810830 1095914003 /nfs/dbraw/zinc/91/40/03/1095914003.db2.gz GTOQFGJALVRNHD-NSHDSACASA-N -2 1 331.290 2.880 20 0 EFADML O=C([O-])CC1(CNC(=O)c2c([O-])cnc3c(F)cccc32)CCCC1 ZINC001601918906 1095976395 /nfs/dbraw/zinc/97/63/95/1095976395.db2.gz VDRIZJVAYPBMOY-UHFFFAOYSA-N -2 1 346.358 2.844 20 0 EFADML O=C([O-])CCSc1ncccc1[N-]C(=O)c1onc2c1CCCC2 ZINC001602034403 1096027866 /nfs/dbraw/zinc/02/78/66/1096027866.db2.gz RDDVFXRREHRICL-UHFFFAOYSA-N -2 1 347.396 2.768 20 0 EFADML O=C([O-])CCSc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC001602033128 1096028601 /nfs/dbraw/zinc/02/86/01/1096028601.db2.gz UERQXUGGBMSFNM-UHFFFAOYSA-N -2 1 345.376 2.780 20 0 EFADML O=C([O-])Cc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1F ZINC001602123364 1096076554 /nfs/dbraw/zinc/07/65/54/1096076554.db2.gz NQHBKMMRSLBZGZ-UHFFFAOYSA-N -2 1 337.734 2.993 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@@H]1c1ccccc1 ZINC001602185557 1096107382 /nfs/dbraw/zinc/10/73/82/1096107382.db2.gz ORPAPPWYGPLLLL-CHWSQXEVSA-N -2 1 345.782 2.986 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1c1ccccc1 ZINC001602186431 1096107489 /nfs/dbraw/zinc/10/74/89/1096107489.db2.gz QPMXCTVNCJRBOA-LSDHHAIUSA-N -2 1 345.782 2.986 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CC2(CC3CC3)CC2)c1F ZINC001602273899 1096153329 /nfs/dbraw/zinc/15/33/29/1096153329.db2.gz WMORGEPOWIOHLZ-UHFFFAOYSA-N -2 1 345.367 2.522 20 0 EFADML O=C([O-])c1cc(F)cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1F ZINC001602271875 1096154255 /nfs/dbraw/zinc/15/42/55/1096154255.db2.gz FKHQUOLMNFOBIO-UHFFFAOYSA-N -2 1 349.215 2.790 20 0 EFADML O=C([O-])c1ccc(CSCCC[N-]C(=O)C(F)(F)F)s1 ZINC001602355756 1096200214 /nfs/dbraw/zinc/20/02/14/1096200214.db2.gz WOPGUKXFFGMFID-UHFFFAOYSA-N -2 1 327.349 2.748 20 0 EFADML O=C([O-])c1ccc(CSCCC[N-]C(=O)C(F)(F)F)cc1F ZINC001602355699 1096200939 /nfs/dbraw/zinc/20/09/39/1096200939.db2.gz SDOKHHOREUEZNU-UHFFFAOYSA-N -2 1 339.310 2.826 20 0 EFADML O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001602362483 1096206549 /nfs/dbraw/zinc/20/65/49/1096206549.db2.gz CYXNWFHUHNVJIZ-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1ccc2c(c1)CCCCN2C(=O)c1ccc(O)cc1[O-] ZINC001602414860 1096230268 /nfs/dbraw/zinc/23/02/68/1096230268.db2.gz CPHPMIYHJBIWCD-UHFFFAOYSA-N -2 1 327.336 2.779 20 0 EFADML O=C([O-])c1ccc2c(c1)CCN2C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001602417392 1096233214 /nfs/dbraw/zinc/23/32/14/1096233214.db2.gz SGAZEAFNAZGNAD-UHFFFAOYSA-N -2 1 331.755 2.876 20 0 EFADML O=C([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1c(O)cccc1F ZINC001602442949 1096247666 /nfs/dbraw/zinc/24/76/66/1096247666.db2.gz XFJZMKIIPRVTAU-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC001603073944 1096434131 /nfs/dbraw/zinc/43/41/31/1096434131.db2.gz CDQGFAGIFGZFKN-SNVBAGLBSA-N -2 1 342.351 2.791 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001603112443 1096447930 /nfs/dbraw/zinc/44/79/30/1096447930.db2.gz QIVKNDZFDHDUHP-UHFFFAOYSA-N -2 1 346.310 2.832 20 0 EFADML C[C@H](NC(=O)c1c(F)ccc([O-])c1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604307087 1096801155 /nfs/dbraw/zinc/80/11/55/1096801155.db2.gz LVLCZNUDVNWPFX-JQWIXIFHSA-N -2 1 349.333 2.732 20 0 EFADML C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604307090 1096801294 /nfs/dbraw/zinc/80/12/94/1096801294.db2.gz LVLCZNUDVNWPFX-PWSUYJOCSA-N -2 1 349.333 2.732 20 0 EFADML C[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C1CCCCC1 ZINC001604355631 1096826943 /nfs/dbraw/zinc/82/69/43/1096826943.db2.gz LOBQDJRUQCHVSO-VIFPVBQESA-N -2 1 347.383 2.910 20 0 EFADML C[C@@H](Oc1ccccc1CNCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001604442934 1096856696 /nfs/dbraw/zinc/85/66/96/1096856696.db2.gz JVNFAHBGWNFHMP-GFCCVEGCSA-N -2 1 329.352 2.527 20 0 EFADML CC[C@H](C(=O)[N-]OCCCC(=O)[O-])c1ccc(Br)cc1 ZINC001604869511 1096973530 /nfs/dbraw/zinc/97/35/30/1096973530.db2.gz QHLMGACAVAMRNQ-LBPRGKRZSA-N -2 1 344.205 2.855 20 0 EFADML CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001604901541 1096978475 /nfs/dbraw/zinc/97/84/75/1096978475.db2.gz ISOBGKXARHOSDV-GOSISDBHSA-N -2 1 345.351 2.838 20 0 EFADML CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001605160533 1097038183 /nfs/dbraw/zinc/03/81/83/1097038183.db2.gz HEZJOTHJDFBZGY-DTWKUNHWSA-N -2 1 335.809 2.878 20 0 EFADML CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605164968 1097039057 /nfs/dbraw/zinc/03/90/57/1097039057.db2.gz JTNJHIAPCJDWKP-SKDRFNHKSA-N -2 1 347.383 2.910 20 0 EFADML Cc1c2cc[nH]c2ncc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167934150 1097335235 /nfs/dbraw/zinc/33/52/35/1097335235.db2.gz FVTJTNLWKOAKRG-UHFFFAOYSA-N -2 1 343.323 2.908 20 0 EFADML O=P([O-])([O-])C1(Nc2cnc3ccoc3c2)Cc2ccccc2C1 ZINC001167935686 1097347496 /nfs/dbraw/zinc/34/74/96/1097347496.db2.gz BZRIDECETAEUKT-UHFFFAOYSA-N -2 1 330.280 2.913 20 0 EFADML COC(=O)c1c[n-]c(S[C@H](C(=O)[O-])c2c(F)cccc2Cl)n1 ZINC001606533024 1097415391 /nfs/dbraw/zinc/41/53/91/1097415391.db2.gz YOPKWIVLVXIQMO-JTQLQIEISA-N -2 1 344.751 2.907 20 0 EFADML C[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C1CCCC1 ZINC001607462357 1097632752 /nfs/dbraw/zinc/63/27/52/1097632752.db2.gz ZINIDOFMVUJPFU-QMMMGPOBSA-N -2 1 333.356 2.520 20 0 EFADML Cc1c(=O)[n-]c(SCCCC(=O)C(=O)[O-])nc1-c1ccccc1 ZINC001607502020 1097644270 /nfs/dbraw/zinc/64/42/70/1097644270.db2.gz LYZCILYWWQNQHS-UHFFFAOYSA-N -2 1 332.381 2.684 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC001607518412 1097650054 /nfs/dbraw/zinc/65/00/54/1097650054.db2.gz BNEAEUMQKBRLLZ-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)CCc1cccs1 ZINC001607522669 1097650781 /nfs/dbraw/zinc/65/07/81/1097650781.db2.gz IROVFQMHQYKRME-UHFFFAOYSA-N -2 1 331.440 2.801 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccnc1C1CC1 ZINC001607599379 1097671580 /nfs/dbraw/zinc/67/15/80/1097671580.db2.gz LMPAEKFWBZWROL-UHFFFAOYSA-N -2 1 332.381 2.766 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)ccc1C(=O)[O-] ZINC001607707782 1097705393 /nfs/dbraw/zinc/70/53/93/1097705393.db2.gz DBULMWHFSSDLOV-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML Cc1ccc(-n2cc([O-])c(C(=O)OCc3cc(C(=O)[O-])co3)n2)cc1 ZINC001607719846 1097708852 /nfs/dbraw/zinc/70/88/52/1097708852.db2.gz IFARHNOYJCCEMD-UHFFFAOYSA-N -2 1 342.307 2.535 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c(C(=O)[O-])c1 ZINC001607821861 1097743265 /nfs/dbraw/zinc/74/32/65/1097743265.db2.gz KIHVXDINRVZDRS-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML Cc1cnc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c([O-])c1 ZINC001607902890 1097772857 /nfs/dbraw/zinc/77/28/57/1097772857.db2.gz GIKHBMRRBVNYSB-KBPBESRZSA-N -2 1 332.400 2.591 20 0 EFADML Cc1nc(-c2ccc(N[C@H]3CC[C@@H](CC(=O)[O-])C3)nc2)[n-]c(=O)c1C ZINC001607942254 1097783782 /nfs/dbraw/zinc/78/37/82/1097783782.db2.gz SVFZTLCGUJGOPX-OCCSQVGLSA-N -2 1 342.399 2.916 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)c(F)c1 ZINC001608385191 1097907504 /nfs/dbraw/zinc/90/75/04/1097907504.db2.gz OHFADSJWRVPGIT-ZDUSSCGKSA-N -2 1 341.697 2.880 20 0 EFADML O=C([O-])[C@@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)CC1CC1 ZINC001608420310 1097917528 /nfs/dbraw/zinc/91/75/28/1097917528.db2.gz UFOBLWICXGOWJJ-SNVBAGLBSA-N -2 1 331.290 2.642 20 0 EFADML O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC001608705549 1097995180 /nfs/dbraw/zinc/99/51/80/1097995180.db2.gz QLRWFOJCOLRAOU-HNNXBMFYSA-N -2 1 347.411 2.895 20 0 EFADML O=C([O-])CCN(CC(=O)[O-])Cc1ccc(-c2ccccc2F)s1 ZINC001608720950 1098000975 /nfs/dbraw/zinc/00/09/75/1098000975.db2.gz NNCILXDGXPYKMW-UHFFFAOYSA-N -2 1 337.372 2.916 20 0 EFADML O=C([O-])CCSc1ncccc1NC(=O)c1cccc([O-])c1F ZINC001608735815 1098004577 /nfs/dbraw/zinc/00/45/77/1098004577.db2.gz XDEXXQUTZPTEGL-UHFFFAOYSA-N -2 1 336.344 2.745 20 0 EFADML O=C([O-])c1ccc2c(c1)CCN(C(=O)c1ncc3ccccc3c1[O-])C2 ZINC001608921221 1098072357 /nfs/dbraw/zinc/07/23/57/1098072357.db2.gz KRPUEDZWMCDMNJ-UHFFFAOYSA-N -2 1 348.358 2.837 20 0 EFADML O=C([O-])c1ccc2c(c1)CN(C(=O)NCc1ccc([O-])c(Cl)c1)C2 ZINC001608922773 1098073661 /nfs/dbraw/zinc/07/36/61/1098073661.db2.gz QUKVCQAWQOUIBT-UHFFFAOYSA-N -2 1 346.770 2.969 20 0 EFADML O=C([O-])c1cccc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC001608928379 1098077560 /nfs/dbraw/zinc/07/75/60/1098077560.db2.gz INKZDMZQDVMCMY-UHFFFAOYSA-N -2 1 330.365 2.733 20 0 EFADML O=C([O-])c1cccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC001608933168 1098080599 /nfs/dbraw/zinc/08/05/99/1098080599.db2.gz XZOIBUXLWNEKJK-UHFFFAOYSA-N -2 1 331.275 2.587 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1C ZINC001609629452 1098409584 /nfs/dbraw/zinc/40/95/84/1098409584.db2.gz NOJAJXIMBSTCLA-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001609769285 1098451488 /nfs/dbraw/zinc/45/14/88/1098451488.db2.gz VMGFXDQJNLQEOV-SNVBAGLBSA-N -2 1 349.770 3.000 20 0 EFADML C[C@]1([N-]S(=O)(=O)c2c(F)cccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001609825553 1098469515 /nfs/dbraw/zinc/46/95/15/1098469515.db2.gz YZJNRPVEKNDLGA-OTYXRUKQSA-N -2 1 349.811 2.791 20 0 EFADML C[C@]1([N-]S(=O)(=O)c2sccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001609825173 1098469793 /nfs/dbraw/zinc/46/97/93/1098469793.db2.gz QWAHLDCGZZWOPU-PELKAZGASA-N -2 1 337.850 2.713 20 0 EFADML CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(F)(F)F ZINC001609902949 1098489483 /nfs/dbraw/zinc/48/94/83/1098489483.db2.gz ZLSCFVGVORWKNK-QUBYGPBYSA-N -2 1 343.323 2.542 20 0 EFADML CCCc1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001609985232 1098514014 /nfs/dbraw/zinc/51/40/14/1098514014.db2.gz MHHAZVORLOKQGL-UHFFFAOYSA-N -2 1 334.397 2.842 20 0 EFADML CCSc1cccc(F)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610050723 1098531530 /nfs/dbraw/zinc/53/15/30/1098531530.db2.gz WKSMPHLFRULTEI-UHFFFAOYSA-N -2 1 344.389 2.765 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001610062250 1098535486 /nfs/dbraw/zinc/53/54/86/1098535486.db2.gz BMASQHBEPXVFFP-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML Cc1cccc(F)c1S(=O)(=O)[N-]c1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610522974 1098730409 /nfs/dbraw/zinc/73/04/09/1098730409.db2.gz IXVVNHASLQBFCY-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML O=C([O-])[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccc(O)c1 ZINC001610679958 1098823156 /nfs/dbraw/zinc/82/31/56/1098823156.db2.gz QSAHLHPMDVXEIX-QGZVFWFLSA-N -2 1 337.331 2.807 20 0 EFADML O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC001610811244 1098905104 /nfs/dbraw/zinc/90/51/04/1098905104.db2.gz XCJPBFRHRIVHCC-UHFFFAOYSA-N -2 1 327.745 2.545 20 0 EFADML O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC001610881706 1098956576 /nfs/dbraw/zinc/95/65/76/1098956576.db2.gz ZHUXQJPPWJLATG-GOSISDBHSA-N -2 1 345.782 2.914 20 0 EFADML CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc([O-])c1F ZINC001623854573 1099634328 /nfs/dbraw/zinc/63/43/28/1099634328.db2.gz XFPIGSCZLPFFPG-UHFFFAOYSA-N -2 1 333.344 2.514 20 0 EFADML Cc1c([N-]S(=O)(=O)c2ccc(CC#N)cc2)cccc1C(=O)[O-] ZINC000081298098 1101838347 /nfs/dbraw/zinc/83/83/47/1101838347.db2.gz DHQZJJGEBUOBDV-UHFFFAOYSA-N -2 1 330.365 2.560 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1 ZINC000040156786 213275894 /nfs/dbraw/zinc/27/58/94/213275894.db2.gz SYKAELDFKAVXFK-UHFFFAOYSA-N -2 1 347.392 2.683 20 0 EFADML CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000037374664 213141497 /nfs/dbraw/zinc/14/14/97/213141497.db2.gz CYZQGPHZHAJLEN-LURJTMIESA-N -2 1 346.257 2.833 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1C(=O)[O-] ZINC000193476534 240106936 /nfs/dbraw/zinc/10/69/36/240106936.db2.gz CXYQDKJRWNFNKT-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231725283 242269156 /nfs/dbraw/zinc/26/91/56/242269156.db2.gz BFQDUELOYXYTJJ-SNVBAGLBSA-N -2 1 344.191 2.520 20 0 EFADML CCCC[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC000262827619 245199037 /nfs/dbraw/zinc/19/90/37/245199037.db2.gz QQVWFESGWBJVRH-NSHDSACASA-N -2 1 329.780 2.818 20 0 EFADML Cc1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])ccc2[nH]1 ZINC000433496165 248066447 /nfs/dbraw/zinc/06/64/47/248066447.db2.gz DDPOVCRJWXANAN-UHFFFAOYSA-N -2 1 346.364 2.681 20 0 EFADML CCC1CCC(N(C)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1 ZINC000266166264 248144080 /nfs/dbraw/zinc/14/40/80/248144080.db2.gz RBLFDBMPCILZNT-UHFFFAOYSA-N -2 1 344.415 2.785 20 0 EFADML O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1 ZINC000442826257 250128595 /nfs/dbraw/zinc/12/85/95/250128595.db2.gz ISMGFPCQKCNYQL-UHFFFAOYSA-N -2 1 347.348 2.697 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)cc1 ZINC000072313004 258064615 /nfs/dbraw/zinc/06/46/15/258064615.db2.gz JQIXHAPZVJWAJB-UHFFFAOYSA-N -2 1 347.392 2.843 20 0 EFADML Cc1nc(-c2ccc(NC(C)(C)CCC(=O)[O-])nc2)[n-]c(=O)c1C ZINC000263389601 141389525 /nfs/dbraw/zinc/38/95/25/141389525.db2.gz FXMDDGGJPPWKFA-UHFFFAOYSA-N -2 1 330.388 2.916 20 0 EFADML Cc1cc(C(=O)NCC[C@H]2CCCC[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000346203279 142166453 /nfs/dbraw/zinc/16/64/53/142166453.db2.gz UJTWBFYEPINXOI-CMPLNLGQSA-N -2 1 344.415 2.691 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc2n[nH]cc21 ZINC000346475704 142209940 /nfs/dbraw/zinc/20/99/40/142209940.db2.gz IVKPQCUWUPWPQF-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc2n[nH]cc21 ZINC000346495156 142212014 /nfs/dbraw/zinc/21/20/14/142212014.db2.gz XBPYIXOPCKHTFW-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c[nH]1 ZINC000351753653 146195439 /nfs/dbraw/zinc/19/54/39/146195439.db2.gz GDZTWUVWVZXXHU-UHFFFAOYSA-N -2 1 331.353 2.509 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1F ZINC000355789588 147064095 /nfs/dbraw/zinc/06/40/95/147064095.db2.gz XLZIDGOVGOTIPF-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000356480790 147256334 /nfs/dbraw/zinc/25/63/34/147256334.db2.gz OIMVTZNRVYMLHQ-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000357016238 147401498 /nfs/dbraw/zinc/40/14/98/147401498.db2.gz MJEZULOQGZEDKT-UHFFFAOYSA-N -2 1 325.773 2.768 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1F ZINC000360210716 148300613 /nfs/dbraw/zinc/30/06/13/148300613.db2.gz BSDHMMKEOFGFDU-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1O ZINC000013464480 544425982 /nfs/dbraw/zinc/42/59/82/544425982.db2.gz AKDRYPSOLLQUSQ-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000184635578 265023865 /nfs/dbraw/zinc/02/38/65/265023865.db2.gz BSPYJGNQNYOPQU-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC000290690640 294158344 /nfs/dbraw/zinc/15/83/44/294158344.db2.gz QZPSYRCBTYWDQP-UHFFFAOYSA-N -2 1 345.420 2.993 20 0 EFADML Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000314244150 311233320 /nfs/dbraw/zinc/23/33/20/311233320.db2.gz PTGJERVFYRVGPH-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cc1F ZINC000321175454 311238199 /nfs/dbraw/zinc/23/81/99/311238199.db2.gz YMMXECBXOBJRSY-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000520352683 315948949 /nfs/dbraw/zinc/94/89/49/315948949.db2.gz WGKQTKFLSORIRO-CABZTGNLSA-N -2 1 337.850 2.713 20 0 EFADML CCC(C)(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc(OC)c1OC ZINC000530137314 317060764 /nfs/dbraw/zinc/06/07/64/317060764.db2.gz MNESBKVWSUJQHR-UHFFFAOYSA-N -2 1 345.417 2.580 20 0 EFADML CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000530815509 317182175 /nfs/dbraw/zinc/18/21/75/317182175.db2.gz QZBQIIWLQSKVTJ-NEPJUHHUSA-N -2 1 344.415 2.833 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2c[nH]c3ncccc32)c1C(=O)[O-] ZINC000532648515 317425377 /nfs/dbraw/zinc/42/53/77/317425377.db2.gz SPUONYNFDQPCFL-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CC(C)(CC[N-]S(=O)(=O)c1cccc(F)c1F)CCC(=O)[O-] ZINC000547616997 318022035 /nfs/dbraw/zinc/02/20/35/318022035.db2.gz LHIHQOFDIGBOOS-UHFFFAOYSA-N -2 1 335.372 2.524 20 0 EFADML CC1([C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C(=O)[O-])CCCCC1 ZINC000547701828 318031660 /nfs/dbraw/zinc/03/16/60/318031660.db2.gz ZTPFNNFXALPXJJ-CYBMUJFWSA-N -2 1 347.383 2.667 20 0 EFADML Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000547874049 318050562 /nfs/dbraw/zinc/05/05/62/318050562.db2.gz LPZCIRRKULUUCW-UHFFFAOYSA-N -2 1 347.392 2.833 20 0 EFADML Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000547933014 318053382 /nfs/dbraw/zinc/05/33/82/318053382.db2.gz POFXKSLNDAWJDS-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccccc2F)c1F ZINC000548220977 318085121 /nfs/dbraw/zinc/08/51/21/318085121.db2.gz NFIIYVOZFIZTOC-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cccc(F)c2F)(CC(=O)[O-])C1 ZINC000548548322 318118703 /nfs/dbraw/zinc/11/87/03/318118703.db2.gz DCVKQVVGAXWULR-MEBBXXQBSA-N -2 1 347.383 2.524 20 0 EFADML CCOc1cc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000572842151 319709298 /nfs/dbraw/zinc/70/92/98/319709298.db2.gz SMNRSNHFKKHXMO-KOLCDFICSA-N -2 1 341.791 2.627 20 0 EFADML C[C@@H](N=c1ccc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n[n-]1)c1ccccc1 ZINC000573210646 319744229 /nfs/dbraw/zinc/74/42/29/319744229.db2.gz QEHHMJGCOYXSKV-PJIJBLCYSA-N -2 1 340.427 2.619 20 0 EFADML C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000576640866 320034867 /nfs/dbraw/zinc/03/48/67/320034867.db2.gz ZFZIYDSDOZPGBV-VIFPVBQESA-N -2 1 337.800 2.791 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c1 ZINC000579537908 323976087 /nfs/dbraw/zinc/97/60/87/323976087.db2.gz KQEGANCALZUPJU-UHFFFAOYSA-N -2 1 345.376 2.705 20 0 EFADML CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000581056089 324294928 /nfs/dbraw/zinc/29/49/28/324294928.db2.gz KLJGQJAHTPWWOD-GFCCVEGCSA-N -2 1 343.376 2.740 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1Cl ZINC000148736129 473320708 /nfs/dbraw/zinc/32/07/08/473320708.db2.gz KPVMSWIXWWCGJI-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CCC1 ZINC000399205022 476881566 /nfs/dbraw/zinc/88/15/66/476881566.db2.gz MTQZUNLHKKFAOV-QMMMGPOBSA-N -2 1 344.241 2.587 20 0 EFADML O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CCC1 ZINC000399205018 476881962 /nfs/dbraw/zinc/88/19/62/476881962.db2.gz MTQZUNLHKKFAOV-MRVPVSSYSA-N -2 1 344.241 2.587 20 0 EFADML O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000024433054 472054614 /nfs/dbraw/zinc/05/46/14/472054614.db2.gz ZNZFARVYLDJHEJ-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000041705571 472080446 /nfs/dbraw/zinc/08/04/46/472080446.db2.gz HLLQABVHQUNQRY-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C ZINC000054795385 472115618 /nfs/dbraw/zinc/11/56/18/472115618.db2.gz VJOLICHEJWTKMX-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c1 ZINC000042796030 472170934 /nfs/dbraw/zinc/17/09/34/472170934.db2.gz ZLXNTOMRFIDCAR-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000057124061 472383039 /nfs/dbraw/zinc/38/30/39/472383039.db2.gz YUUVEEQEUHQHOC-UHFFFAOYSA-N -2 1 333.365 2.750 20 0 EFADML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000060800216 472678883 /nfs/dbraw/zinc/67/88/83/472678883.db2.gz CUPJMIAXXHPULD-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000078711069 472756879 /nfs/dbraw/zinc/75/68/79/472756879.db2.gz FNCQLROMBQVRHG-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000073353672 472801250 /nfs/dbraw/zinc/80/12/50/472801250.db2.gz XOAFNJTZPDGUMY-UHFFFAOYSA-N -2 1 334.328 2.505 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000064620692 472866462 /nfs/dbraw/zinc/86/64/62/472866462.db2.gz PRKHGDUBKZARAV-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)ccc12 ZINC000093909642 473161057 /nfs/dbraw/zinc/16/10/57/473161057.db2.gz KOCFIGWDJONCEQ-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)ccc12 ZINC000093909642 473161073 /nfs/dbraw/zinc/16/10/73/473161073.db2.gz KOCFIGWDJONCEQ-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000287665187 473728931 /nfs/dbraw/zinc/72/89/31/473728931.db2.gz VSZOAIFHGJLNFP-ZCFIWIBFSA-N -2 1 344.241 2.587 20 0 EFADML Cc1cc2cc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)ccc2[nH]1 ZINC000174998904 474128538 /nfs/dbraw/zinc/12/85/38/474128538.db2.gz LXCKXDQEXLNODA-UHFFFAOYSA-N -2 1 344.392 2.904 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000337055710 474666917 /nfs/dbraw/zinc/66/69/17/474666917.db2.gz USIJDHIQQOAPPN-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML CSc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000314191437 474859724 /nfs/dbraw/zinc/85/97/24/474859724.db2.gz GLGNMEDOUZYRQL-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML CCOc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(C)c1 ZINC000316197054 474878733 /nfs/dbraw/zinc/87/87/33/474878733.db2.gz LYBFNPSESKECBY-UHFFFAOYSA-N -2 1 341.410 2.954 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000317871518 474888695 /nfs/dbraw/zinc/88/86/95/474888695.db2.gz LBZJEZUOLOWFBM-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000321815285 474932736 /nfs/dbraw/zinc/93/27/36/474932736.db2.gz CAABKZXUYYFJRG-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000339209173 475042423 /nfs/dbraw/zinc/04/24/23/475042423.db2.gz XSMGJAVZTZAFIZ-NSHDSACASA-N -2 1 335.381 2.893 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000339408457 475198612 /nfs/dbraw/zinc/19/86/12/475198612.db2.gz BHWQLSZELKDRFP-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000297143418 475628881 /nfs/dbraw/zinc/62/88/81/475628881.db2.gz IJLBIWFXLAGQEH-CMPLNLGQSA-N -2 1 347.383 2.667 20 0 EFADML O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000297226230 475665977 /nfs/dbraw/zinc/66/59/77/475665977.db2.gz ONKIUBUOVCKESB-ZWNOBZJWSA-N -2 1 347.383 2.667 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)cc1 ZINC000358633415 475824915 /nfs/dbraw/zinc/82/49/15/475824915.db2.gz RGYSJZITVDRTOU-UHFFFAOYSA-N -2 1 346.364 2.676 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1C(=O)[O-] ZINC000358874794 476005201 /nfs/dbraw/zinc/00/52/01/476005201.db2.gz JKHMXAHWIOBAJH-UHFFFAOYSA-N -2 1 349.364 2.531 20 0 EFADML Cc1cc(C(=O)N2CCCC23CCCCC3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000340436068 476033706 /nfs/dbraw/zinc/03/37/06/476033706.db2.gz WTEAJCMOPKTDDB-UHFFFAOYSA-N -2 1 342.399 2.683 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(F)c1 ZINC000336854170 476142363 /nfs/dbraw/zinc/14/23/63/476142363.db2.gz MEYSPVUZZCBVAU-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML COc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000359078146 476170435 /nfs/dbraw/zinc/17/04/35/476170435.db2.gz CIMFSFYBOJAQGS-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000359084012 476174818 /nfs/dbraw/zinc/17/48/18/476174818.db2.gz QEGCVPYZNVBRRV-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cc(C)cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C ZINC000357088640 476221450 /nfs/dbraw/zinc/22/14/50/476221450.db2.gz OKWJWQHRECYTFT-UHFFFAOYSA-N -2 1 349.408 2.740 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000337033627 476272770 /nfs/dbraw/zinc/27/27/70/476272770.db2.gz HEXACQKHDCNSRK-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000388111325 476775439 /nfs/dbraw/zinc/77/54/39/476775439.db2.gz XHYBIXQFFCTHPR-ZJUUUORDSA-N -2 1 335.372 2.523 20 0 EFADML Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000457006855 476827388 /nfs/dbraw/zinc/82/73/88/476827388.db2.gz PQSDNMVUFVAYTC-USWWRNFRSA-N -2 1 344.415 2.689 20 0 EFADML CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000424390092 477387403 /nfs/dbraw/zinc/38/74/03/477387403.db2.gz JGDBRKGPSIGTDL-VIFPVBQESA-N -2 1 337.800 2.504 20 0 EFADML O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cccc(C(F)F)c2)c1 ZINC000436993863 477660896 /nfs/dbraw/zinc/66/08/96/477660896.db2.gz ICQPOWIXJGFFLW-UHFFFAOYSA-N -2 1 343.307 2.829 20 0 EFADML CCOc1cc(C(=O)N(CC(=O)[O-])[C@@H](C)CC)cc(Cl)c1[O-] ZINC000455808934 477758114 /nfs/dbraw/zinc/75/81/14/477758114.db2.gz ILYWWQROMVVABQ-VIFPVBQESA-N -2 1 329.780 2.770 20 0 EFADML CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(F)cc1[O-] ZINC000421162278 477990404 /nfs/dbraw/zinc/99/04/04/477990404.db2.gz ZEFQXOILGOEDQX-AWEZNQCLSA-N -2 1 339.388 2.531 20 0 EFADML O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000439625907 478009221 /nfs/dbraw/zinc/00/92/21/478009221.db2.gz UKSNNBWKRINMBG-UHFFFAOYSA-N -2 1 333.365 2.535 20 0 EFADML C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000570657860 478412169 /nfs/dbraw/zinc/41/21/69/478412169.db2.gz JZQBCXRJYUFFOB-JTQLQIEISA-N -2 1 343.376 2.884 20 0 EFADML O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000565055302 478900626 /nfs/dbraw/zinc/90/06/26/478900626.db2.gz IBHQKBNCZJFUQU-CABZTGNLSA-N -2 1 349.811 2.791 20 0 EFADML CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000556702502 479178922 /nfs/dbraw/zinc/17/89/22/479178922.db2.gz WPUSAEUYLOCTSJ-BXKDBHETSA-N -2 1 343.376 2.740 20 0 EFADML O=C(N=c1[n-]nc([C@H]2CCCO2)s1)Nc1ccc([O-])c(Cl)c1 ZINC000640733803 480595527 /nfs/dbraw/zinc/59/55/27/480595527.db2.gz OYXPIACEUQIOPV-SNVBAGLBSA-N -2 1 340.792 2.815 20 0 EFADML CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(=O)[O-] ZINC000630442406 480714902 /nfs/dbraw/zinc/71/49/02/480714902.db2.gz LNQAXABAAJTTFN-MRVPVSSYSA-N -2 1 339.360 2.775 20 0 EFADML O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cc(F)c(F)c([O-])c1F ZINC000636354678 480914961 /nfs/dbraw/zinc/91/49/61/480914961.db2.gz LVIGACVHVJWFBS-SSDOTTSWSA-N -2 1 345.302 2.765 20 0 EFADML O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc(F)c(F)c([O-])c1F ZINC000636354679 480915218 /nfs/dbraw/zinc/91/52/18/480915218.db2.gz LVIGACVHVJWFBS-ZETCQYMHSA-N -2 1 345.302 2.765 20 0 EFADML C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000650426520 481089668 /nfs/dbraw/zinc/08/96/68/481089668.db2.gz MLEDHSPEDIFUST-RXMQYKEDSA-N -2 1 344.241 2.587 20 0 EFADML CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(Br)ccc1[O-] ZINC000663138276 482082750 /nfs/dbraw/zinc/08/27/50/482082750.db2.gz UNJFRVORIDAAOU-UHFFFAOYSA-N -2 1 344.205 2.728 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1F ZINC000180475913 524805447 /nfs/dbraw/zinc/80/54/47/524805447.db2.gz KZKREXKEVQVBIM-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CC[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccccc1 ZINC000344738570 535863411 /nfs/dbraw/zinc/86/34/11/535863411.db2.gz NSJMCEWYAIMQHU-LBPRGKRZSA-N -2 1 338.367 2.626 20 0 EFADML CC[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C1CCCCC1 ZINC000673654399 547928240 /nfs/dbraw/zinc/92/82/40/547928240.db2.gz UDNGUTNSTITCMZ-LBPRGKRZSA-N -2 1 344.415 2.833 20 0 EFADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)c(C)cc1C ZINC000680809858 549390953 /nfs/dbraw/zinc/39/09/53/549390953.db2.gz SGPQXOYDZRKRAX-UHFFFAOYSA-N -2 1 341.410 2.878 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1O ZINC000680809327 549391003 /nfs/dbraw/zinc/39/10/03/549391003.db2.gz CFRJVAJGKHTKSZ-UHFFFAOYSA-N -2 1 335.381 2.816 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c(F)c1 ZINC000761952730 576233748 /nfs/dbraw/zinc/23/37/48/576233748.db2.gz YNIMJQQSFYPANW-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000762001631 576241195 /nfs/dbraw/zinc/24/11/95/576241195.db2.gz UXJAAQDAUFCLMS-UHFFFAOYSA-N -2 1 343.383 2.668 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc(O)c2)cc(C(=O)[O-])c1Cl ZINC000762462631 576304271 /nfs/dbraw/zinc/30/42/71/576304271.db2.gz LOTDAMYRMABMLO-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)cc(Cl)c1F ZINC000767736789 577231050 /nfs/dbraw/zinc/23/10/50/577231050.db2.gz PUUVZKBLXQIGIS-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000737736427 577324313 /nfs/dbraw/zinc/32/43/13/577324313.db2.gz YVSIPZPXXCQIFB-NSHDSACASA-N -2 1 335.381 2.893 20 0 EFADML Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000726931071 577418593 /nfs/dbraw/zinc/41/85/93/577418593.db2.gz RBUDGKGKGSNGKO-UHFFFAOYSA-N -2 1 348.355 2.816 20 0 EFADML CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000828672153 601480725 /nfs/dbraw/zinc/48/07/25/601480725.db2.gz NXEHEWRNAULAIN-JTQLQIEISA-N -2 1 346.257 2.977 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1cc(F)ccc1F ZINC000739368968 599979900 /nfs/dbraw/zinc/97/99/00/599979900.db2.gz OOFVSSIWWVSPPR-ZDUSSCGKSA-N -2 1 341.697 2.880 20 0 EFADML Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000739039576 599982195 /nfs/dbraw/zinc/98/21/95/599982195.db2.gz OOUHAOBRDDWHJV-UHFFFAOYSA-N -2 1 330.365 2.677 20 0 EFADML O=C([O-])C1CCC(NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000044483666 600104318 /nfs/dbraw/zinc/10/43/18/600104318.db2.gz BWDMCOMHSRMROU-UHFFFAOYSA-N -2 1 342.189 2.528 20 0 EFADML CN(C(=O)[O-])c1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000737337318 600175545 /nfs/dbraw/zinc/17/55/45/600175545.db2.gz YJVHXCYWVGTJRE-UHFFFAOYSA-N -2 1 338.323 2.702 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000738603343 600229287 /nfs/dbraw/zinc/22/92/87/600229287.db2.gz KOHYECXXABGYLM-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML C[C@]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)(C(=O)[O-])C1CC1 ZINC000036961631 600239398 /nfs/dbraw/zinc/23/93/98/600239398.db2.gz VYQSVLLGSOOXAU-SNVBAGLBSA-N -2 1 344.241 2.587 20 0 EFADML CC(C)c1ccc(C(=O)Nc2nnc(CCC(=O)[O-])s2)c([O-])c1 ZINC000736513854 600268462 /nfs/dbraw/zinc/26/84/62/600268462.db2.gz YKHMNFNQHYUPMF-UHFFFAOYSA-N -2 1 335.385 2.637 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738746113 600301513 /nfs/dbraw/zinc/30/15/13/600301513.db2.gz USTHYYZLFNGNIY-UHFFFAOYSA-N -2 1 334.397 2.906 20 0 EFADML COc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c([O-])c1 ZINC000737930610 600481637 /nfs/dbraw/zinc/48/16/37/600481637.db2.gz FFESRCJVFSRQIT-UHFFFAOYSA-N -2 1 345.351 2.897 20 0 EFADML CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc(Cl)cc1[O-] ZINC000737168570 600485712 /nfs/dbraw/zinc/48/57/12/600485712.db2.gz NNTPESVKWNGDDT-LLVKDONJSA-N -2 1 343.807 2.635 20 0 EFADML CSc1ccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)o1 ZINC000738200185 600536846 /nfs/dbraw/zinc/53/68/46/600536846.db2.gz VDOJPHBUUBQPGA-UHFFFAOYSA-N -2 1 327.387 2.513 20 0 EFADML CC(C)(C)c1ncc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)s1 ZINC000736304292 600625999 /nfs/dbraw/zinc/62/59/99/600625999.db2.gz XDYDFFBVOMDCMB-UHFFFAOYSA-N -2 1 340.430 2.562 20 0 EFADML O=C([O-])[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccccc1F ZINC000833350250 600654666 /nfs/dbraw/zinc/65/46/66/600654666.db2.gz CDXPYBCAQWKOHM-ZDUSSCGKSA-N -2 1 326.226 2.792 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1C(=O)[O-] ZINC000738743237 600784607 /nfs/dbraw/zinc/78/46/07/600784607.db2.gz BHLSTHIZRRTTBS-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML COc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c([O-])c1 ZINC000325352942 600851680 /nfs/dbraw/zinc/85/16/80/600851680.db2.gz NEEJBQJOQVPDLY-NSHDSACASA-N -2 1 327.336 2.620 20 0 EFADML O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000036379527 600885401 /nfs/dbraw/zinc/88/54/01/600885401.db2.gz NLFFKPKQDQZNSN-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c[nH]1 ZINC000323864232 600980718 /nfs/dbraw/zinc/98/07/18/600980718.db2.gz GREDMKXNIDBFJX-UHFFFAOYSA-N -2 1 349.412 2.504 20 0 EFADML O=C([O-])c1ccnc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1 ZINC000833335147 600983128 /nfs/dbraw/zinc/98/31/28/600983128.db2.gz ONDGFMCKWKJULB-SOFGYWHQSA-N -2 1 338.772 2.846 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1O ZINC000738632800 601120398 /nfs/dbraw/zinc/12/03/98/601120398.db2.gz MOWSRJYMSADVOC-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(C)c1O ZINC000324914731 601324402 /nfs/dbraw/zinc/32/44/02/601324402.db2.gz YCQBQGZWZQJCLL-UXBLZVDNSA-N -2 1 347.392 2.908 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)ccc1F ZINC000390387429 601332336 /nfs/dbraw/zinc/33/23/36/601332336.db2.gz YDWYUIBNXJFJNY-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1nc(Cl)sc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000833001094 601451962 /nfs/dbraw/zinc/45/19/62/601451962.db2.gz UNTDNYUJTMBWTF-UHFFFAOYSA-N -2 1 346.821 2.616 20 0 EFADML O=C([O-])C1(CNC(=O)c2ccc(Br)cc2[O-])CCCC1 ZINC000165323696 601757830 /nfs/dbraw/zinc/75/78/30/601757830.db2.gz UBRAVQVPAMQXEN-UHFFFAOYSA-N -2 1 342.189 2.530 20 0 EFADML O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000833294194 601857194 /nfs/dbraw/zinc/85/71/94/601857194.db2.gz HUGLAJLRSJELPV-UHFFFAOYSA-N -2 1 335.356 2.813 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000833335228 601986523 /nfs/dbraw/zinc/98/65/23/601986523.db2.gz LDVSRBDIFHKQFI-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)[nH]n1 ZINC000829430615 602103032 /nfs/dbraw/zinc/10/30/32/602103032.db2.gz HVKYBHMQVGOGPX-UHFFFAOYSA-N -2 1 337.401 2.560 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1C(=O)[O-] ZINC000832955794 602307690 /nfs/dbraw/zinc/30/76/90/602307690.db2.gz HJFUTNSMLYLZFO-UHFFFAOYSA-N -2 1 349.412 2.875 20 0 EFADML O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000738665804 603230262 /nfs/dbraw/zinc/23/02/62/603230262.db2.gz CYZJPQSVLPXHSN-UHFFFAOYSA-N -2 1 346.286 2.995 20 0 EFADML O=C([O-])COc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1Cl ZINC000833258643 604942847 /nfs/dbraw/zinc/94/28/47/604942847.db2.gz SPAKWBXLLPISGN-UHFFFAOYSA-N -2 1 339.706 2.900 20 0 EFADML CC(C)(CC(=O)[O-])CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000833451710 605115240 /nfs/dbraw/zinc/11/52/40/605115240.db2.gz WSTCTUUKUVDCSC-UHFFFAOYSA-N -2 1 347.411 2.705 20 0 EFADML CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000833488759 605164756 /nfs/dbraw/zinc/16/47/56/605164756.db2.gz RSXBLXFTLGWWHK-UHFFFAOYSA-N -2 1 333.306 2.984 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212515056 1268368188 /nfs/dbraw/zinc/36/81/88/1268368188.db2.gz PHTTWEVWTWMUOR-UHFFFAOYSA-N -2 1 343.307 2.516 20 0 EFADML O=C([O-])C=Cc1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000738557850 1268474913 /nfs/dbraw/zinc/47/49/13/1268474913.db2.gz HHQJDDVGXBBODK-YFHOEESVSA-N -2 1 335.319 2.686 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174982159 1287288329 /nfs/dbraw/zinc/28/83/29/1287288329.db2.gz MTUFMFVEBYUXET-UHFFFAOYSA-N -2 1 335.381 2.936 20 0 EFADML Cc1cc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)sc1C(=O)[O-] ZINC000871948617 1287374188 /nfs/dbraw/zinc/37/41/88/1287374188.db2.gz WABUQSCQHNTPNV-VIFPVBQESA-N -2 1 345.364 2.620 20 0 EFADML Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC001175319815 1287401292 /nfs/dbraw/zinc/40/12/92/1287401292.db2.gz AZXBELWQAZQWRV-UHFFFAOYSA-N -2 1 344.751 2.560 20 0 EFADML C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC(C)(C)C1 ZINC001148927269 1281826042 /nfs/dbraw/zinc/82/60/42/1281826042.db2.gz KPXZLIXICFORAU-WDEREUQCSA-N -2 1 341.429 2.584 20 0 EFADML C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c2ccccc21 ZINC001148927780 1281826085 /nfs/dbraw/zinc/82/60/85/1281826085.db2.gz SUMGWNGUAMQGKX-ZUZCIYMTSA-N -2 1 347.392 2.617 20 0 EFADML COc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(S(=O)(=O)[O-])c1 ZINC001176672008 1288065115 /nfs/dbraw/zinc/06/51/15/1288065115.db2.gz CHVNZOSPSMOPBL-UHFFFAOYSA-N -2 1 349.286 2.808 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C ZINC001184695691 1290494893 /nfs/dbraw/zinc/49/48/93/1290494893.db2.gz DHGBQZGISADBTD-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML Cc1cc(C)c(NC(=O)c2ccc([O-])c(F)c2)c(S(=O)(=O)[O-])c1 ZINC001186226402 1290902731 /nfs/dbraw/zinc/90/27/31/1290902731.db2.gz OGNNXMSVGHIFGL-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cc(F)c(F)c([O-])c1F ZINC001186770497 1291018239 /nfs/dbraw/zinc/01/82/39/1291018239.db2.gz JDGCPHWUTPADEJ-UHFFFAOYSA-N -2 1 349.268 2.953 20 0 EFADML COc1nc(S(=O)(=O)[N-]c2c([S-])cccc2Cl)ccc1F ZINC001190103992 1291985441 /nfs/dbraw/zinc/98/54/41/1291985441.db2.gz FRDRHGBHCLMREV-UHFFFAOYSA-N -2 1 348.808 2.972 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1C ZINC001192139294 1292808558 /nfs/dbraw/zinc/80/85/58/1292808558.db2.gz NMDCDLDYJPEULC-UHFFFAOYSA-N -2 1 349.408 2.822 20 0 EFADML O=C([O-])COc1ccc(S(=O)(=O)[N-]c2csc(Cl)c2)cc1 ZINC001192685941 1292988106 /nfs/dbraw/zinc/98/81/06/1292988106.db2.gz ITZWJKITAANUIF-UHFFFAOYSA-N -2 1 347.801 2.666 20 0 EFADML CSc1nc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])cc(=O)[n-]1 ZINC001193084325 1293156975 /nfs/dbraw/zinc/15/69/75/1293156975.db2.gz WCYCKMWZWGHORM-UHFFFAOYSA-N -2 1 347.183 2.564 20 0 EFADML CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000882728931 1293300546 /nfs/dbraw/zinc/30/05/46/1293300546.db2.gz NDRKBXPTJMLWFV-LLVKDONJSA-N -2 1 335.809 2.519 20 0 EFADML O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cc([O-])cnc1Cl ZINC001195305281 1293886712 /nfs/dbraw/zinc/88/67/12/1293886712.db2.gz DGIFWXKPTFUKFB-UHFFFAOYSA-N -2 1 330.731 2.584 20 0 EFADML [CH2]CC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001196837167 1294379314 /nfs/dbraw/zinc/37/93/14/1294379314.db2.gz RXHVYIOVVNMOMC-UHFFFAOYSA-N -2 1 329.598 2.744 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2sncc2c1 ZINC001198782435 1295228487 /nfs/dbraw/zinc/22/84/87/1295228487.db2.gz KNVXDWRSDUYYDS-UHFFFAOYSA-N -2 1 334.378 2.795 20 0 EFADML CC(C)(C)c1nc2nc[nH]c2c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160892 1314186838 /nfs/dbraw/zinc/18/68/38/1314186838.db2.gz PQGODJVJMCNQQL-UHFFFAOYSA-N -2 1 340.339 2.665 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(CC(=O)[O-])c2)c1 ZINC001210071884 1314277934 /nfs/dbraw/zinc/27/79/34/1314277934.db2.gz HYXNITRRSJNPSQ-UHFFFAOYSA-N -2 1 335.381 2.557 20 0 EFADML COC(=O)c1nc2ccc(-c3cc(C(=O)[O-])c(Cl)cc3F)nc2[n-]1 ZINC001244611648 1314394850 /nfs/dbraw/zinc/39/48/50/1314394850.db2.gz FDRXJUWDZXKVCV-UHFFFAOYSA-N -2 1 349.705 2.902 20 0 EFADML COc1ncc(-c2ccc([S-])cc2F)cc1[N-]S(C)(=O)=O ZINC001244792463 1314413397 /nfs/dbraw/zinc/41/33/97/1314413397.db2.gz BRHRWQUSSJGELZ-UHFFFAOYSA-N -2 1 328.390 2.557 20 0 EFADML O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215611844 1314857466 /nfs/dbraw/zinc/85/74/66/1314857466.db2.gz ABZGGNXDICYNNP-UHFFFAOYSA-N -2 1 328.256 2.589 20 0 EFADML Nc1[nH]c(=S)[n-]c(=O)c1Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001216359237 1314944665 /nfs/dbraw/zinc/94/46/65/1314944665.db2.gz MJJRTRJKLGOEIX-UHFFFAOYSA-N -2 1 347.183 2.802 20 0 EFADML CCOC(=O)c1nonc1[N-]c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001216357245 1314944671 /nfs/dbraw/zinc/94/46/71/1314944671.db2.gz DKOJVCDMOADFGP-UHFFFAOYSA-N -2 1 346.126 2.995 20 0 EFADML Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000308097094 1315021997 /nfs/dbraw/zinc/02/19/97/1315021997.db2.gz ADIKNQQYRUGRKW-UHFFFAOYSA-N -2 1 334.328 2.505 20 0 EFADML COc1cc(Br)c([O-])c([N-]S(=O)(=O)CC(C)C)c1 ZINC001259884606 1316292136 /nfs/dbraw/zinc/29/21/36/1316292136.db2.gz HBLKTBNPIWDRKV-UHFFFAOYSA-N -2 1 338.223 2.561 20 0 EFADML Cn1ccc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc21 ZINC001260189531 1316321392 /nfs/dbraw/zinc/32/13/92/1316321392.db2.gz IVPOUKPYBZEIKZ-UHFFFAOYSA-N -2 1 330.365 2.677 20 0 EFADML CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227509 1316324203 /nfs/dbraw/zinc/32/42/03/1316324203.db2.gz BDPAKTPPMKPMCY-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001260228452 1316324604 /nfs/dbraw/zinc/32/46/04/1316324604.db2.gz ZQIHFLKZZKIVJU-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3cccnc3c2)cc1 ZINC001260228210 1316324789 /nfs/dbraw/zinc/32/47/89/1316324789.db2.gz KTQQODNDBKZPAP-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC001260228791 1316324796 /nfs/dbraw/zinc/32/47/96/1316324796.db2.gz YUVKZZVTKSARCL-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML O=S(=O)([N-][C@@H]1[CH]CC=C1)c1cc(Br)c(F)cc1F ZINC001260333402 1316332146 /nfs/dbraw/zinc/33/21/46/1316332146.db2.gz UUTGGZQNACKXBS-ZETCQYMHSA-N -2 1 337.165 2.538 20 0 EFADML Cc1cc(Cl)cc(Cl)c1NC(=S)NCC[P@](=O)([O-])O ZINC001200825430 1334613819 /nfs/dbraw/zinc/61/38/19/1334613819.db2.gz RDXKDVCTPWCVPM-UHFFFAOYSA-N -2 1 343.172 2.766 20 0 EFADML O=P([O-])([O-])C1(NC(=S)Nc2ccccc2)Cc2ccccc2C1 ZINC001200842801 1334653640 /nfs/dbraw/zinc/65/36/40/1334653640.db2.gz UNGNDAJBSSCSRZ-UHFFFAOYSA-N -2 1 348.364 2.646 20 0 EFADML CCOC(=O)c1c[n-]c(NC(=O)c2cccc(C(F)(F)F)c2[O-])n1 ZINC001417890204 1373378124 /nfs/dbraw/zinc/37/81/24/1373378124.db2.gz GAMUJAQXBOJNFE-UHFFFAOYSA-N -2 1 343.261 2.563 20 0 EFADML Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822130031 1428229729 /nfs/dbraw/zinc/22/97/29/1428229729.db2.gz PIMBTXNLVDKZLH-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822130031 1428229731 /nfs/dbraw/zinc/22/97/31/1428229731.db2.gz PIMBTXNLVDKZLH-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML C[C@H](SCc1ccccc1)C(=O)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000820549332 1428267523 /nfs/dbraw/zinc/26/75/23/1428267523.db2.gz MHEKOFBZBMJQRK-VIFPVBQESA-N -2 1 346.441 2.584 20 0 EFADML C[C@H](SCc1ccccc1)C(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000820549332 1428267527 /nfs/dbraw/zinc/26/75/27/1428267527.db2.gz MHEKOFBZBMJQRK-VIFPVBQESA-N -2 1 346.441 2.584 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826299803 1429141805 /nfs/dbraw/zinc/14/18/05/1429141805.db2.gz VZTMRAPANQPBRR-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823355972 1423814842 /nfs/dbraw/zinc/81/48/42/1423814842.db2.gz HJDCCEHXDLBRDH-UHFFFAOYSA-N -2 1 338.352 2.549 20 0 EFADML Cc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000152776817 1424071364 /nfs/dbraw/zinc/07/13/64/1424071364.db2.gz YFROMAWWHQTXAP-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(Cl)c1[O-] ZINC000737852160 1426304883 /nfs/dbraw/zinc/30/48/83/1426304883.db2.gz CZQUHJHXESDBDT-UHFFFAOYSA-N -2 1 343.774 2.797 20 0 EFADML Cc1ccc(C[C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000826286481 1426337410 /nfs/dbraw/zinc/33/74/10/1426337410.db2.gz DGLUHOKJVYPQMF-GFCCVEGCSA-N -2 1 337.383 2.698 20 0 EFADML CC(C)(F)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824162705 1426487652 /nfs/dbraw/zinc/48/76/52/1426487652.db2.gz MXSUZTSYAMQSTD-UHFFFAOYSA-N -2 1 332.364 2.677 20 0 EFADML CC(C)(F)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824162705 1426487657 /nfs/dbraw/zinc/48/76/57/1426487657.db2.gz MXSUZTSYAMQSTD-UHFFFAOYSA-N -2 1 332.364 2.677 20 0 EFADML Cc1nc(C(C)C)sc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822423854 1426682301 /nfs/dbraw/zinc/68/23/01/1426682301.db2.gz PUMUFMSCRXNAFY-UHFFFAOYSA-N -2 1 344.400 2.713 20 0 EFADML O=C(CCCc1cccs1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822958817 1426789741 /nfs/dbraw/zinc/78/97/41/1426789741.db2.gz ILXZFZPLFQPPDL-UHFFFAOYSA-N -2 1 329.385 2.595 20 0 EFADML CC(C)[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1 ZINC000824184278 1426984747 /nfs/dbraw/zinc/98/47/47/1426984747.db2.gz FBEFBFDVMMXMQB-MRXNPFEDSA-N -2 1 337.383 2.951 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cc(Cl)ccc1F ZINC000823294745 1441520538 /nfs/dbraw/zinc/52/05/38/1441520538.db2.gz PUPIXFRKXGULTP-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML O=C(C[C@H]1CCc2ccccc2C1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822945626 1441814268 /nfs/dbraw/zinc/81/42/68/1441814268.db2.gz LTKPJHIKXHGGDE-LBPRGKRZSA-N -2 1 349.394 2.706 20 0 EFADML C[C@H](OC1CCCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820518325 1442194310 /nfs/dbraw/zinc/19/43/10/1442194310.db2.gz BADYHHVESLEVJK-NSHDSACASA-N -2 1 345.403 2.639 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000823387618 1443483743 /nfs/dbraw/zinc/48/37/43/1443483743.db2.gz QUKBDEBLYFROHY-ZPUQHVIOSA-N -2 1 331.382 2.653 20 0 EFADML Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000826250734 1446097307 /nfs/dbraw/zinc/09/73/07/1446097307.db2.gz PKRYLMDCSJKCIX-UHFFFAOYSA-N -2 1 329.747 2.786 20 0 EFADML C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820301398 1446117060 /nfs/dbraw/zinc/11/70/60/1446117060.db2.gz XGMKDTHFEGTQIZ-JTQLQIEISA-N -2 1 341.346 2.529 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000823387615 1446164894 /nfs/dbraw/zinc/16/48/94/1446164894.db2.gz QUKBDEBLYFROHY-CCAGOZQPSA-N -2 1 331.382 2.653 20 0 EFADML CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823942696 1449220237 /nfs/dbraw/zinc/22/02/37/1449220237.db2.gz HIZDLJZKHJDWHI-XFXZXTDPSA-N -2 1 335.367 2.923 20 0 EFADML CCCc1nc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])s1 ZINC000821142314 1449932125 /nfs/dbraw/zinc/93/21/25/1449932125.db2.gz GMKXVXUJASHBGK-UHFFFAOYSA-N -2 1 344.400 2.542 20 0 EFADML Cc1cccc([N-]S(=O)(=O)C=Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826299628 1450196268 /nfs/dbraw/zinc/19/62/68/1450196268.db2.gz NGMOWODGTIGJSF-ZHACJKMWSA-N -2 1 341.396 2.588 20 0 EFADML COCc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000326487440 715005808 /nfs/dbraw/zinc/00/58/08/715005808.db2.gz HWDCFMQSMCNRSL-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML CCC(CC)(CC(=O)[O-])NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000909376677 716323335 /nfs/dbraw/zinc/32/33/35/716323335.db2.gz RHMYCFAESMBLDN-UHFFFAOYSA-N -2 1 329.780 2.818 20 0 EFADML CCOc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc(Cl)c1[O-] ZINC000909458152 723416154 /nfs/dbraw/zinc/41/61/54/723416154.db2.gz MLPTYWLSDYVAMB-SECBINFHSA-N -2 1 341.791 2.770 20 0 EFADML CCOc1cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc(Cl)c1[O-] ZINC000908971382 727295767 /nfs/dbraw/zinc/29/57/67/727295767.db2.gz JVAWVSRFFKAVQK-GFCCVEGCSA-N -2 1 329.780 2.673 20 0 EFADML CCOc1cc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc(Cl)c1[O-] ZINC000909880297 727391586 /nfs/dbraw/zinc/39/15/86/727391586.db2.gz OTVJXMJCUZKFIG-LLVKDONJSA-N -2 1 341.791 2.675 20 0 EFADML CCOc1cc(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cc(Cl)c1[O-] ZINC000910001825 727403745 /nfs/dbraw/zinc/40/37/45/727403745.db2.gz SXYFYQCMEGWJAM-LRDDRELGSA-N -2 1 341.791 2.818 20 0 EFADML COc1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc(Cl)c1[O-] ZINC000910095489 727411698 /nfs/dbraw/zinc/41/16/98/727411698.db2.gz ZTDUANIKMAXIBX-ZDUSSCGKSA-N -2 1 341.791 2.818 20 0 EFADML O=C([O-])[C@]12CN(C(=O)c3ncc4ccccc4c3[O-])C[C@H]1CCCC2 ZINC000910156225 727416122 /nfs/dbraw/zinc/41/61/22/727416122.db2.gz RGNVLCWQJMCCEL-BFUOFWGJSA-N -2 1 340.379 2.657 20 0 EFADML C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@]1(C)C(=O)[O-] ZINC000910256852 727424587 /nfs/dbraw/zinc/42/45/87/727424587.db2.gz SKFDHGIJIDBCTR-XLKFXECMSA-N -2 1 331.290 2.594 20 0 EFADML CC(C)(CCC(=O)[O-])C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000911234584 727517841 /nfs/dbraw/zinc/51/78/41/727517841.db2.gz QGTZFOHYEMVSAR-UHFFFAOYSA-N -2 1 347.411 2.705 20 0 EFADML O=C([N-]NC(=O)c1ccc(Cl)cc1Cl)c1c([O-])cccc1F ZINC000163809602 727887722 /nfs/dbraw/zinc/88/77/22/727887722.db2.gz GFSIKRPOZZISFY-UHFFFAOYSA-N -2 1 343.141 2.913 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)C[C@H]1c1ccccc1 ZINC001602185371 971169943 /nfs/dbraw/zinc/16/99/43/971169943.db2.gz FQOKMKJLQSBAIQ-NWDGAFQWSA-N -2 1 347.317 2.611 20 0 EFADML O=C([O-])CC[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001595011808 951248847 /nfs/dbraw/zinc/24/88/47/951248847.db2.gz WUAKBLJZEINIOQ-GFCCVEGCSA-N -2 1 340.807 2.975 20 0 EFADML O=C([O-])C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595128724 952023624 /nfs/dbraw/zinc/02/36/24/952023624.db2.gz GANQOXQQLXTMAD-HNNXBMFYSA-N -2 1 335.306 2.969 20 0 EFADML O=C([O-])c1cc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)ccn1 ZINC001595209787 952359119 /nfs/dbraw/zinc/35/91/19/952359119.db2.gz IOZBHVKDCOQQNV-UHFFFAOYSA-N -2 1 343.726 2.939 20 0 EFADML O=C([O-])C1(C(=O)Nc2cccc([O-])c2Br)CC=CC1 ZINC001594870858 954352897 /nfs/dbraw/zinc/35/28/97/954352897.db2.gz AKHCTTIJPZAGLH-UHFFFAOYSA-N -2 1 326.146 2.514 20 0 EFADML O=C([O-])C1([N-]S(=O)(=O)c2sccc2Cl)CCCCCC1 ZINC001594884778 954451724 /nfs/dbraw/zinc/45/17/24/954451724.db2.gz OYAZBJMUNXKINL-UHFFFAOYSA-N -2 1 337.850 2.857 20 0 EFADML C[C@@](NC(=O)c1ncc2ccccc2c1[O-])(C(=O)[O-])c1ccccc1 ZINC001589121857 956129844 /nfs/dbraw/zinc/12/98/44/956129844.db2.gz XXZHBFYFKAQDBM-IBGZPJMESA-N -2 1 336.347 2.670 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1 ZINC000013066956 956922671 /nfs/dbraw/zinc/92/26/71/956922671.db2.gz JHHGHPKZAMSGMS-UHFFFAOYSA-N -2 1 346.408 2.786 20 0 EFADML O=C([O-])C1CCC(NC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC001605743809 972390897 /nfs/dbraw/zinc/39/08/97/972390897.db2.gz ANWGEZMPZMWZIO-UHFFFAOYSA-N -2 1 329.352 2.624 20 0 EFADML CCc1ccccc1S(=O)(=O)[N-]c1cccc(OCC(=O)[O-])c1 ZINC000204466771 959655733 /nfs/dbraw/zinc/65/57/33/959655733.db2.gz IJLNVDWQSAMSGX-UHFFFAOYSA-N -2 1 335.381 2.513 20 0 EFADML Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccnc1Cl ZINC000226465744 959881359 /nfs/dbraw/zinc/88/13/59/959881359.db2.gz RSNGRTOWFWXLBE-UHFFFAOYSA-N -2 1 332.790 2.604 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1F ZINC001195227833 960569345 /nfs/dbraw/zinc/56/93/45/960569345.db2.gz YILGCHZBABQSOA-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC001198789736 960586598 /nfs/dbraw/zinc/58/65/98/960586598.db2.gz IYOUUABZLQMYQW-UHFFFAOYSA-N -2 1 344.348 2.841 20 0 EFADML Cc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c(C(=O)[O-])c1C ZINC001571174068 962079234 /nfs/dbraw/zinc/07/92/34/962079234.db2.gz FRHCQELVVCFWEM-UHFFFAOYSA-N -2 1 327.340 2.627 20 0 EFADML Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3C)cc2o1 ZINC001343448099 962166597 /nfs/dbraw/zinc/16/65/97/962166597.db2.gz IRQGRPMOKHKDPI-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccc(F)cc1 ZINC001574621337 962252514 /nfs/dbraw/zinc/25/25/14/962252514.db2.gz OTLADFZAOSSEFP-CYBMUJFWSA-N -2 1 341.260 2.999 20 0 EFADML C[C@@](CC(=O)[O-])(NC(=O)c1cc(Cl)ccc1[O-])c1cccnc1 ZINC001571229918 962624158 /nfs/dbraw/zinc/62/41/58/962624158.db2.gz XGJYXTDVFMXAGL-INIZCTEOSA-N -2 1 334.759 2.561 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c1F ZINC000313232144 963628332 /nfs/dbraw/zinc/62/83/32/963628332.db2.gz YHROKFDXNSDDEC-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000315852085 963943884 /nfs/dbraw/zinc/94/38/84/963943884.db2.gz OBYVVYFQPLKIIS-UHFFFAOYSA-N -2 1 341.772 2.604 20 0 EFADML CC(C)C[C@H](CNC(=O)NCc1ccc([O-])c(Cl)c1)CC(=O)[O-] ZINC000874406890 969386240 /nfs/dbraw/zinc/38/62/40/969386240.db2.gz PUPDNDLHDFBAKO-LBPRGKRZSA-N -2 1 342.823 2.982 20 0 EFADML O=C([O-])CCC1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000874421184 969398235 /nfs/dbraw/zinc/39/82/35/969398235.db2.gz AYVFSQAMUWGIGW-UHFFFAOYSA-N -2 1 340.807 2.832 20 0 EFADML Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000317319777 970348260 /nfs/dbraw/zinc/34/82/60/970348260.db2.gz JDRIIRQROCULAJ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(C(=O)[O-])cc(C(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC001605138424 972803625 /nfs/dbraw/zinc/80/36/25/972803625.db2.gz KOESMLIKKKGVGS-UHFFFAOYSA-N -2 1 335.306 2.650 20 0 EFADML C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001603387930 972986006 /nfs/dbraw/zinc/98/60/06/972986006.db2.gz DBABYOVUHXAVLU-DTWKUNHWSA-N -2 1 331.290 2.736 20 0 EFADML C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001603389108 973000819 /nfs/dbraw/zinc/00/08/19/973000819.db2.gz XGLGOWWHYPDSGV-PWSUYJOCSA-N -2 1 329.352 2.576 20 0 EFADML C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]1C(=O)[O-] ZINC001603409030 973080478 /nfs/dbraw/zinc/08/04/78/973080478.db2.gz FUKNPTBZGIJFKU-PELKAZGASA-N -2 1 331.290 2.736 20 0 EFADML C[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1C(=O)[O-] ZINC001603410732 973092347 /nfs/dbraw/zinc/09/23/47/973092347.db2.gz WZFVKZCJOLKTOS-MEBBXXQBSA-N -2 1 329.352 2.576 20 0 EFADML CC[C@H](C)C[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)[O-] ZINC000400373539 973268177 /nfs/dbraw/zinc/26/81/77/973268177.db2.gz HTMHLTOJZFTLEM-GZMMTYOYSA-N -2 1 344.205 2.774 20 0 EFADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001606320511 973737600 /nfs/dbraw/zinc/73/76/00/973737600.db2.gz JWHOLTVQUZBAGN-UHFFFAOYSA-N -2 1 348.405 2.724 20 0 EFADML CCCCOc1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)c([O-])c1 ZINC001603652477 974014028 /nfs/dbraw/zinc/01/40/28/974014028.db2.gz IWHXWNOIJUBKGW-UHFFFAOYSA-N -2 1 330.340 2.917 20 0 EFADML O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788747731 978797912 /nfs/dbraw/zinc/79/79/12/978797912.db2.gz YEWOGQLQCVJONZ-UHFFFAOYSA-N -2 1 349.339 2.699 20 0 EFADML O=C([O-])CCCCCC[N-]S(=O)(=O)c1sccc1Cl ZINC000837287268 979270011 /nfs/dbraw/zinc/27/00/11/979270011.db2.gz XARZNHUSAFPLQM-UHFFFAOYSA-N -2 1 325.839 2.715 20 0 EFADML CC[C@@](CNC(=O)c1c([O-])cccc1F)(C(=O)[O-])c1ccccc1 ZINC001595159686 979677326 /nfs/dbraw/zinc/67/73/26/979677326.db2.gz GTNOXAAIBFVDPO-SFHVURJKSA-N -2 1 331.343 2.694 20 0 EFADML CCC(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595217404 980025428 /nfs/dbraw/zinc/02/54/28/980025428.db2.gz XVTUPMOOXWXOMI-VIFPVBQESA-N -2 1 325.233 2.993 20 0 EFADML O=C([O-])C1(CCCC[N-]S(=O)(=O)c2cccc(F)c2F)CCC1 ZINC000899954536 980235657 /nfs/dbraw/zinc/23/56/57/980235657.db2.gz MFNIPSCABUKVFU-UHFFFAOYSA-N -2 1 347.383 2.668 20 0 EFADML O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCCC1 ZINC000903029099 980953452 /nfs/dbraw/zinc/95/34/52/980953452.db2.gz DNOWCDPKJFMVTA-CYBMUJFWSA-N -2 1 337.397 2.745 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccc1 ZINC001594784940 981800604 /nfs/dbraw/zinc/80/06/04/981800604.db2.gz MGPMHRZUWSRICF-ZDUSSCGKSA-N -2 1 339.269 2.967 20 0 EFADML CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(F)(F)F ZINC001594922389 982477160 /nfs/dbraw/zinc/47/71/60/982477160.db2.gz YVRKIWQAJSGLPH-MUWHJKNJSA-N -2 1 345.364 2.702 20 0 EFADML CC[C@@H](C)C[C@@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)[O-] ZINC001594944833 982628190 /nfs/dbraw/zinc/62/81/90/982628190.db2.gz JKGGDEKRIPLQOS-BXKDBHETSA-N -2 1 334.347 2.699 20 0 EFADML CC[C@H](C)C[C@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)[O-] ZINC001594944834 982628380 /nfs/dbraw/zinc/62/83/80/982628380.db2.gz JKGGDEKRIPLQOS-CABZTGNLSA-N -2 1 334.347 2.699 20 0 EFADML C[C@H]1CC[C@@](NC(=O)c2ncc3ccccc3c2[O-])(C(=O)[O-])CC1 ZINC001599907303 984940363 /nfs/dbraw/zinc/94/03/63/984940363.db2.gz BQADUJBWXDTUMX-CKSWESSHSA-N -2 1 328.368 2.704 20 0 EFADML Cc1c(=O)[n-]c(SCC(=O)C(C)(C)C(=O)[O-])nc1-c1ccccc1 ZINC001599969669 985982093 /nfs/dbraw/zinc/98/20/93/985982093.db2.gz PIODBZTWEDHNPD-UHFFFAOYSA-N -2 1 346.408 2.930 20 0 EFADML Cc1c(=O)[n-]c(SCC(=O)CCC(=O)[O-])nc1-c1ccccc1 ZINC001599969858 985986395 /nfs/dbraw/zinc/98/63/95/985986395.db2.gz VVTUXHWDAZUYNS-UHFFFAOYSA-N -2 1 332.381 2.684 20 0 EFADML CCOc1cc(C)ccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001597032705 986458135 /nfs/dbraw/zinc/45/81/35/986458135.db2.gz POQRNARNORQFCN-UHFFFAOYSA-N -2 1 341.429 2.780 20 0 EFADML C[C@@H](C(=O)[O-])N(C(=O)c1c([O-])cnc2c(F)cccc21)C1CCC1 ZINC001589476866 986978429 /nfs/dbraw/zinc/97/84/29/986978429.db2.gz HKDBERKBMOHKIY-VIFPVBQESA-N -2 1 332.331 2.547 20 0 EFADML CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])C(F)(F)F ZINC001597291404 987377408 /nfs/dbraw/zinc/37/74/08/987377408.db2.gz GUQRKAKYAWBEMA-SECBINFHSA-N -2 1 345.726 2.657 20 0 EFADML CC(C)(C(=O)[O-])n1cc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC001589669960 987661031 /nfs/dbraw/zinc/66/10/31/987661031.db2.gz DGKINVJWZPRNFN-UHFFFAOYSA-N -2 1 339.351 2.814 20 0 EFADML CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC001589756914 988068378 /nfs/dbraw/zinc/06/83/78/988068378.db2.gz HJJNWICEOPBSCL-SNVBAGLBSA-N -2 1 337.800 2.647 20 0 EFADML CSc1ncc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c(=O)[n-]1 ZINC001599829462 988648395 /nfs/dbraw/zinc/64/83/95/988648395.db2.gz WXYUSKKTIYNZEC-UHFFFAOYSA-N -2 1 347.396 2.978 20 0 EFADML CCc1nc(SCC(=O)c2ccc(C(=O)[O-])cc2)[n-]c(=O)c1C ZINC001597689069 988856368 /nfs/dbraw/zinc/85/63/68/988856368.db2.gz CXIQUHIWRSMFGZ-UHFFFAOYSA-N -2 1 332.381 2.726 20 0 EFADML CN(C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(C)(C)CC(=O)[O-] ZINC001598073799 990379807 /nfs/dbraw/zinc/37/98/07/990379807.db2.gz UPDHTDIFDOURDK-UHFFFAOYSA-N -2 1 345.351 2.790 20 0 EFADML CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])C(F)(F)F ZINC001590878991 990788731 /nfs/dbraw/zinc/78/87/31/990788731.db2.gz DFROGBTZILYJJW-UHFFFAOYSA-N -2 1 345.726 2.657 20 0 EFADML CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Br)ccc1[O-] ZINC001591423581 992511776 /nfs/dbraw/zinc/51/17/76/992511776.db2.gz KESOBHOUQBAWGR-NSHDSACASA-N -2 1 344.205 2.726 20 0 EFADML C[C@](NC(=O)c1ccc(Cl)cc1[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001593164089 994004846 /nfs/dbraw/zinc/00/48/46/994004846.db2.gz XUGVTUBAFMHVKR-MRXNPFEDSA-N -2 1 337.734 2.915 20 0 EFADML C[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593172472 994036874 /nfs/dbraw/zinc/03/68/74/994036874.db2.gz NGRQMADGSYETJX-BXUZGUMPSA-N -2 1 331.343 2.593 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c(C)c1 ZINC001599617954 994043154 /nfs/dbraw/zinc/04/31/54/994043154.db2.gz PLQFBDDLJDJUJH-UHFFFAOYSA-N -2 1 327.383 2.564 20 0 EFADML COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc(F)ccc2[O-])c1 ZINC001599653518 994542233 /nfs/dbraw/zinc/54/22/33/994542233.db2.gz KTIITMXUNRLSHX-SFHVURJKSA-N -2 1 347.342 2.660 20 0 EFADML C[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ncc(C(=O)[O-])s1 ZINC001593289766 994665948 /nfs/dbraw/zinc/66/59/48/994665948.db2.gz XDSBFIFFINPWHN-MRVPVSSYSA-N -2 1 346.364 2.504 20 0 EFADML CC1(C)CCC[C@@]([N-]S(=O)(=O)c2cccc(F)c2F)(C(=O)[O-])C1 ZINC001593899448 996764443 /nfs/dbraw/zinc/76/44/43/996764443.db2.gz KTMJRDMSDVDQKI-HNNXBMFYSA-N -2 1 347.383 2.667 20 0 EFADML COc1cc(CNC(=O)c2cc(Cl)ccc2[O-])ccc1C(=O)[O-] ZINC001599413254 997461490 /nfs/dbraw/zinc/46/14/90/997461490.db2.gz HHAHTQQYCWXCDO-UHFFFAOYSA-N -2 1 335.743 2.682 20 0 EFADML CC1(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CCCCC1 ZINC001594027645 997578736 /nfs/dbraw/zinc/57/87/36/997578736.db2.gz MSHZYLYFSKXIMK-UHFFFAOYSA-N -2 1 347.383 2.912 20 0 EFADML C[C@@]1(CS(=O)(=O)[N-]c2sccc2C(=O)[O-])CC1(Cl)Cl ZINC001594038857 997644060 /nfs/dbraw/zinc/64/40/60/997644060.db2.gz GXDRTFVIJQTQNA-VIFPVBQESA-N -2 1 344.241 2.772 20 0 EFADML O=C(Cc1ccc2ccccc2c1)NOc1cccc(-c2nn[nH]n2)c1 ZINC001582143779 1091389071 /nfs/dbraw/zinc/38/90/71/1091389071.db2.gz YGTWCYAKJDBJDF-UHFFFAOYSA-N -2 1 345.362 2.673 20 0 EFADML CC(C)(C)CC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)[O-] ZINC001589124083 1093037491 /nfs/dbraw/zinc/03/74/91/1093037491.db2.gz YJPDASJLYRDCKR-LURJTMIESA-N -2 1 344.828 2.668 20 0 EFADML CC(C)(C)CC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)[O-] ZINC001589124083 1093037497 /nfs/dbraw/zinc/03/74/97/1093037497.db2.gz YJPDASJLYRDCKR-LURJTMIESA-N -2 1 344.828 2.668 20 0 EFADML COc1ccc(-c2ccsc2-c2nn[n-]n2)cc1C1(C(=O)[O-])CC1 ZINC001591555438 1093767633 /nfs/dbraw/zinc/76/76/33/1093767633.db2.gz FKHWPMLCKHGOIB-UHFFFAOYSA-N -2 1 342.380 2.720 20 0 EFADML COc1ccc(-c2nc(SC(C)C)[n-]c(=O)c2-c2nnn[n-]2)cc1 ZINC001591556537 1093769493 /nfs/dbraw/zinc/76/94/93/1093769493.db2.gz GGBYAGPZHDBGBE-UHFFFAOYSA-N -2 1 344.400 2.538 20 0 EFADML Cc1c(C(=O)[O-])sc2[n-]c(-c3coc(C4CCC4)n3)nc(=O)c12 ZINC001600002480 1094711465 /nfs/dbraw/zinc/71/14/65/1094711465.db2.gz OWRCCNMZDXXMKZ-UHFFFAOYSA-N -2 1 331.353 2.914 20 0 EFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001600022865 1094726788 /nfs/dbraw/zinc/72/67/88/1094726788.db2.gz VZCMGNHEJYDJJK-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC001600071542 1094752047 /nfs/dbraw/zinc/75/20/47/1094752047.db2.gz YTJIDNIAFIDWDE-QMMMGPOBSA-N -2 1 330.178 2.903 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C)n1 ZINC001600163507 1094828344 /nfs/dbraw/zinc/82/83/44/1094828344.db2.gz MPJXAFZNBFPGNT-UHFFFAOYSA-N -2 1 338.360 2.645 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC001600186023 1094850433 /nfs/dbraw/zinc/85/04/33/1094850433.db2.gz NSQQQGMCYGNQEB-IJEWVQPXSA-N -2 1 345.395 2.619 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC001600184925 1094852178 /nfs/dbraw/zinc/85/21/78/1094852178.db2.gz BVFDTZCUNFEUCB-CYBMUJFWSA-N -2 1 341.363 2.629 20 0 EFADML Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1N ZINC001600427181 1095058659 /nfs/dbraw/zinc/05/86/59/1095058659.db2.gz UCXQHNOFYZPJBT-UHFFFAOYSA-N -2 1 340.788 2.730 20 0 EFADML Cc1cccc(Cl)c1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001600536265 1095145754 /nfs/dbraw/zinc/14/57/54/1095145754.db2.gz CZVFZRYVZAFNOV-UHFFFAOYSA-N -2 1 332.790 2.604 20 0 EFADML Cc1oc(C(=O)[O-])cc1COC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001600832040 1095366483 /nfs/dbraw/zinc/36/64/83/1095366483.db2.gz JNSKFNNQXGJVLG-UHFFFAOYSA-N -2 1 342.307 2.535 20 0 EFADML Cc1oc(COC(=O)c2nn(-c3ccccc3)cc2[O-])cc1C(=O)[O-] ZINC001600856432 1095384549 /nfs/dbraw/zinc/38/45/49/1095384549.db2.gz XZPXAXPHPRISCX-UHFFFAOYSA-N -2 1 342.307 2.535 20 0 EFADML Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001600979215 1095453075 /nfs/dbraw/zinc/45/30/75/1095453075.db2.gz UHAPLRHSLRKRMK-UHFFFAOYSA-N -2 1 344.392 2.606 20 0 EFADML O=C([O-])c1ccccc1CCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001601291312 1095601393 /nfs/dbraw/zinc/60/13/93/1095601393.db2.gz PTVBKVNWOVNAKZ-UHFFFAOYSA-N -2 1 333.771 2.993 20 0 EFADML O=C([O-])[C@H](CNC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001601360500 1095635117 /nfs/dbraw/zinc/63/51/17/1095635117.db2.gz DPQXXNRIMBOFRM-CYBMUJFWSA-N -2 1 333.771 2.573 20 0 EFADML O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC001601410264 1095664334 /nfs/dbraw/zinc/66/43/34/1095664334.db2.gz LODKNUMWDXRBAH-BLLLJJGKSA-N -2 1 343.379 2.545 20 0 EFADML O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC001601410266 1095664637 /nfs/dbraw/zinc/66/46/37/1095664637.db2.gz LODKNUMWDXRBAH-MLGOLLRUSA-N -2 1 343.379 2.545 20 0 EFADML O=C([O-])c1sc(NC(=O)c2cncc([O-])c2)nc1C1CCCC1 ZINC001601631891 1095773931 /nfs/dbraw/zinc/77/39/31/1095773931.db2.gz BYDKCXVRZNQQGF-UHFFFAOYSA-N -2 1 333.369 2.852 20 0 EFADML O=C([O-])c1cccc2[nH]c(NC(=O)c3cc(Cl)ccc3O)nc21 ZINC001601631884 1095774591 /nfs/dbraw/zinc/77/45/91/1095774591.db2.gz BLYDGQJYVYXPEO-UHFFFAOYSA-N -2 1 331.715 2.872 20 0 EFADML O=C([O-])c1cccc2[nH]c(NC(=O)c3ccc(Cl)c(O)c3)nc21 ZINC001601632917 1095775018 /nfs/dbraw/zinc/77/50/18/1095775018.db2.gz NLKSVKSARDIZEB-UHFFFAOYSA-N -2 1 331.715 2.872 20 0 EFADML O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C1CCCCC1 ZINC001601679145 1095812163 /nfs/dbraw/zinc/81/21/63/1095812163.db2.gz NYZFZIAOTWHHDS-ZDUSSCGKSA-N -2 1 349.811 2.791 20 0 EFADML O=C([O-])[C@@]1(C(=O)NCc2ccc([O-])c(Cl)c2)C[C@H]1c1ccccc1 ZINC001601701301 1095840375 /nfs/dbraw/zinc/84/03/75/1095840375.db2.gz KOTULENXUGFVKP-UGSOOPFHSA-N -2 1 345.782 2.920 20 0 EFADML O=C([O-])C1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC2(CCC2)C1 ZINC001601704136 1095846029 /nfs/dbraw/zinc/84/60/29/1095846029.db2.gz JWRXFEYACUWJFT-UHFFFAOYSA-N -2 1 341.367 2.552 20 0 EFADML O=C([O-])[C@H]1CN(Cc2ccc([O-])c(F)c2F)c2ccc(F)cc2O1 ZINC001601848258 1095934138 /nfs/dbraw/zinc/93/41/38/1095934138.db2.gz ZMZRAZWVOUGOOL-CYBMUJFWSA-N -2 1 339.269 2.662 20 0 EFADML O=C([O-])C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccncc1 ZINC001601905106 1095969180 /nfs/dbraw/zinc/96/91/80/1095969180.db2.gz OHINBYDOYOFWEX-MRXNPFEDSA-N -2 1 336.347 2.886 20 0 EFADML O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC001601971402 1095998414 /nfs/dbraw/zinc/99/84/14/1095998414.db2.gz ACPPQCBMPIHYRW-CQSZACIVSA-N -2 1 331.343 2.737 20 0 EFADML O=C([O-])CC[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccns1 ZINC001601972080 1095999240 /nfs/dbraw/zinc/99/92/40/1095999240.db2.gz JQICWVKFWRLKSK-LBPRGKRZSA-N -2 1 346.474 2.625 20 0 EFADML O=C([O-])CCSc1ncccc1NC(=O)c1cc(F)ccc1[O-] ZINC001602034915 1096027790 /nfs/dbraw/zinc/02/77/90/1096027790.db2.gz WARNUXSAXHMKIB-UHFFFAOYSA-N -2 1 336.344 2.745 20 0 EFADML O=C([O-])CCSc1ncccc1NC(=O)c1ccc([O-])c(F)c1 ZINC001602033794 1096028838 /nfs/dbraw/zinc/02/88/38/1096028838.db2.gz HMQARFFQXQXKKG-UHFFFAOYSA-N -2 1 336.344 2.745 20 0 EFADML O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001602111566 1096070400 /nfs/dbraw/zinc/07/04/00/1096070400.db2.gz WBOSBEHGDSEXPY-SCZZXKLOSA-N -2 1 331.290 2.784 20 0 EFADML O=C([O-])Cc1cccc(NCc2ncc(Br)cc2[O-])c1 ZINC001602140531 1096087230 /nfs/dbraw/zinc/08/72/30/1096087230.db2.gz FRJSKHUHVVDELU-UHFFFAOYSA-N -2 1 337.173 2.789 20 0 EFADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001602140473 1096087348 /nfs/dbraw/zinc/08/73/48/1096087348.db2.gz BADVPODAMJVKEY-UHFFFAOYSA-N -2 1 331.393 2.992 20 0 EFADML O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001602194539 1096111962 /nfs/dbraw/zinc/11/19/62/1096111962.db2.gz SAGWKXAKCBSUHP-UBHSHLNASA-N -2 1 337.803 2.832 20 0 EFADML O=C([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC001602267996 1096150966 /nfs/dbraw/zinc/15/09/66/1096150966.db2.gz OSVBNGOYAROAAY-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)c1F ZINC001602274151 1096154705 /nfs/dbraw/zinc/15/47/05/1096154705.db2.gz YYLQIKPTJNPSED-UHFFFAOYSA-N -2 1 345.367 2.522 20 0 EFADML O=C([O-])c1ccc(-c2nc(CC[N-]C(=O)C(F)(F)F)cs2)cc1 ZINC001602307257 1096169090 /nfs/dbraw/zinc/16/90/90/1096169090.db2.gz BFHORDXOILOALN-UHFFFAOYSA-N -2 1 344.314 2.729 20 0 EFADML O=C([O-])c1ccc2c(c1)CCN(C(=O)Cc1ccc([O-])c(Cl)c1)C2 ZINC001602416939 1096232092 /nfs/dbraw/zinc/23/20/92/1096232092.db2.gz ZTVXIYLCLXGPIG-UHFFFAOYSA-N -2 1 345.782 2.871 20 0 EFADML O=C([O-])c1cccc(OCCOC(=O)c2c([O-])cc(F)cc2F)c1 ZINC001602448221 1096250014 /nfs/dbraw/zinc/25/00/14/1096250014.db2.gz MQZHOYZIUIKDTC-UHFFFAOYSA-N -2 1 338.262 2.604 20 0 EFADML O=C([O-])c1cccc2c1OCCN(C(=O)c1cc(Cl)ccc1[O-])C2 ZINC001602462165 1096258606 /nfs/dbraw/zinc/25/86/06/1096258606.db2.gz YRJNXEVALJYUEF-UHFFFAOYSA-N -2 1 347.754 2.779 20 0 EFADML O=C([O-])c1cnc(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)s1 ZINC001602520368 1096279553 /nfs/dbraw/zinc/27/95/53/1096279553.db2.gz VPVZUFZSSBZLOS-UHFFFAOYSA-N -2 1 348.277 2.528 20 0 EFADML C[C@H](C(=O)[O-])c1cccc(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC001603222092 1096477835 /nfs/dbraw/zinc/47/78/35/1096477835.db2.gz XIVSCLFXKCSRRY-JTQLQIEISA-N -2 1 337.335 2.776 20 0 EFADML C[C@@H](CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1)C(=O)[O-] ZINC001604152248 1096753993 /nfs/dbraw/zinc/75/39/93/1096753993.db2.gz BOMLNSFMVGVBEJ-JTQLQIEISA-N -2 1 329.352 2.576 20 0 EFADML CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001604529843 1096895090 /nfs/dbraw/zinc/89/50/90/1096895090.db2.gz CWZVDTXEESSVQP-UHFFFAOYSA-N -2 1 349.441 2.600 20 0 EFADML CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001604529843 1096895096 /nfs/dbraw/zinc/89/50/96/1096895096.db2.gz CWZVDTXEESSVQP-UHFFFAOYSA-N -2 1 349.441 2.600 20 0 EFADML CC1(C)CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001604532141 1096896904 /nfs/dbraw/zinc/89/69/04/1096896904.db2.gz POBJHKOZXKERKY-MRVPVSSYSA-N -2 1 335.809 2.736 20 0 EFADML CC1=C(C(=O)[O-])[C@H](c2ccc([O-])c(Cl)c2)NC(=O)N1CC1CC1 ZINC001604606986 1096913173 /nfs/dbraw/zinc/91/31/73/1096913173.db2.gz GSKYJLVZBFTPAW-AWEZNQCLSA-N -2 1 336.775 2.881 20 0 EFADML C[C@H]1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C[C@H](C)C1 ZINC001604654644 1096924748 /nfs/dbraw/zinc/92/47/48/1096924748.db2.gz GPBYEDCMEMMNEU-HTQZYQBOSA-N -2 1 335.809 2.734 20 0 EFADML C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C[C@H]1C ZINC001604706635 1096936067 /nfs/dbraw/zinc/93/60/67/1096936067.db2.gz PABFTJAXEAPAGU-KKZNHRDASA-N -2 1 347.383 2.766 20 0 EFADML C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001604715156 1096939005 /nfs/dbraw/zinc/93/90/05/1096939005.db2.gz HPZSENLIUCMGTQ-DTWKUNHWSA-N -2 1 335.809 2.736 20 0 EFADML C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604724495 1096940824 /nfs/dbraw/zinc/94/08/24/1096940824.db2.gz IWXMOMXEJIRQEU-ZJUUUORDSA-N -2 1 347.383 2.768 20 0 EFADML CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604941592 1096985174 /nfs/dbraw/zinc/98/51/74/1096985174.db2.gz AWMRJWUROVMJJP-DTWKUNHWSA-N -2 1 335.372 2.766 20 0 EFADML CC[C@](NC(=O)c1ccc([O-])cn1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001605086463 1097019043 /nfs/dbraw/zinc/01/90/43/1097019043.db2.gz WJXDDKAIKWZNFL-MRXNPFEDSA-N -2 1 334.759 2.561 20 0 EFADML CCCCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC001605260009 1097071606 /nfs/dbraw/zinc/07/16/06/1097071606.db2.gz GMCGELCUQSVGHY-LLVKDONJSA-N -2 1 337.800 2.791 20 0 EFADML CCCCc1cc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])n[nH]1 ZINC001605291956 1097083111 /nfs/dbraw/zinc/08/31/11/1097083111.db2.gz VSDJXKKYZMOYGA-UHFFFAOYSA-N -2 1 343.430 2.621 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2cc(C(=O)[O-])oc2C)[n-]c1=O ZINC001605580251 1097161827 /nfs/dbraw/zinc/16/18/27/1097161827.db2.gz UDUMHASUHMGQOZ-YVMONPNESA-N -2 1 332.312 2.519 20 0 EFADML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC001605827589 1097241406 /nfs/dbraw/zinc/24/14/06/1097241406.db2.gz ZWNUKSCTFFOOAE-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML O=P([O-])([O-])C1(Nc2ncc3sccc3n2)Cc2ccccc2C1 ZINC001167932026 1097317403 /nfs/dbraw/zinc/31/74/03/1097317403.db2.gz NJGMGIQDMGRIGD-UHFFFAOYSA-N -2 1 347.336 2.776 20 0 EFADML CC(C)Oc1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cn1 ZINC001167934310 1097337193 /nfs/dbraw/zinc/33/71/93/1097337193.db2.gz HSFBDXRISJOSQH-UHFFFAOYSA-N -2 1 348.339 2.954 20 0 EFADML O=P([O-])([O-])C1(Nc2cnc3c(c2)CCC3)Cc2ccccc2C1 ZINC001167936139 1097351015 /nfs/dbraw/zinc/35/10/15/1097351015.db2.gz IDYGXSCITQTCKL-UHFFFAOYSA-N -2 1 330.324 2.655 20 0 EFADML O=P([O-])([O-])C1(Nc2ccnc3ncccc23)Cc2ccccc2C1 ZINC001167939833 1097387474 /nfs/dbraw/zinc/38/74/74/1097387474.db2.gz RCCQYNXKRSJEGE-UHFFFAOYSA-N -2 1 341.307 2.715 20 0 EFADML COCc1cc([N-]S(=O)(=O)c2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC001606952617 1097478980 /nfs/dbraw/zinc/47/89/80/1097478980.db2.gz SCOFULGWEKFOHA-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnc2c(c1)CCCC2 ZINC001607519450 1097650027 /nfs/dbraw/zinc/65/00/27/1097650027.db2.gz RSKRSUBQNOFHKD-UHFFFAOYSA-N -2 1 346.408 2.768 20 0 EFADML Cc1noc(C)c1S(=O)(=O)[N-]c1c(C)cc(C(=O)[O-])cc1Cl ZINC001607591823 1097669063 /nfs/dbraw/zinc/66/90/63/1097669063.db2.gz ZPYCEMNAMZAVMU-UHFFFAOYSA-N -2 1 344.776 2.752 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1C(=O)[O-] ZINC001607598860 1097671383 /nfs/dbraw/zinc/67/13/83/1097671383.db2.gz WLVHPIFNSDHOLU-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(C)n1 ZINC001607621019 1097679621 /nfs/dbraw/zinc/67/96/21/1097679621.db2.gz PAYMSMOWRXDXAZ-UHFFFAOYSA-N -2 1 334.397 2.814 20 0 EFADML Cc1ccc([C@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)C(=O)[O-])cc1 ZINC001607756637 1097722036 /nfs/dbraw/zinc/72/20/36/1097722036.db2.gz AOXGTOLZAPCMGI-AWEZNQCLSA-N -2 1 347.798 2.881 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)c(C(=O)[O-])c1 ZINC001607822010 1097742588 /nfs/dbraw/zinc/74/25/88/1097742588.db2.gz NXWJECPRSCDRJW-UHFFFAOYSA-N -2 1 335.381 2.816 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)c1F ZINC001607863068 1097758016 /nfs/dbraw/zinc/75/80/16/1097758016.db2.gz KIVBQMVOHKFCOM-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001607949594 1097785396 /nfs/dbraw/zinc/78/53/96/1097785396.db2.gz SDGWWXAFGMJDJM-UHFFFAOYSA-N -2 1 335.385 2.800 20 0 EFADML Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])ccc12 ZINC001608043217 1097814244 /nfs/dbraw/zinc/81/42/44/1097814244.db2.gz MASVSWOSRCVFBX-UHFFFAOYSA-N -2 1 349.368 2.580 20 0 EFADML Cn1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1C(=O)[O-] ZINC001608120915 1097839941 /nfs/dbraw/zinc/83/99/41/1097839941.db2.gz UURXMWIMMVULAY-UHFFFAOYSA-N -2 1 328.246 2.700 20 0 EFADML O=C([O-])[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)c(F)c1 ZINC001608385190 1097907733 /nfs/dbraw/zinc/90/77/33/1097907733.db2.gz OHFADSJWRVPGIT-CYBMUJFWSA-N -2 1 341.697 2.880 20 0 EFADML O=C([O-])[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc2c(c1)CCO2 ZINC001608385471 1097907980 /nfs/dbraw/zinc/90/79/80/1097907980.db2.gz DIAYAEUNIRDUFY-OAHLLOKOSA-N -2 1 347.754 2.536 20 0 EFADML O=C([O-])[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc2c(c1)CCO2 ZINC001608386931 1097908541 /nfs/dbraw/zinc/90/85/41/1097908541.db2.gz ZZRZHHBCBHDJBM-OAHLLOKOSA-N -2 1 347.754 2.536 20 0 EFADML O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001608396144 1097910737 /nfs/dbraw/zinc/91/07/37/1097910737.db2.gz VVWGZMUVKPQSGA-BLLLJJGKSA-N -2 1 343.379 2.545 20 0 EFADML O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc4ccccc4cc3[O-])[C@@H]2C1 ZINC001608494216 1097931988 /nfs/dbraw/zinc/93/19/88/1097931988.db2.gz WSIDRPVEBYMZAA-KQTLUZQSSA-N -2 1 325.364 2.775 20 0 EFADML O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2cc1[O-] ZINC001608598622 1097964243 /nfs/dbraw/zinc/96/42/43/1097964243.db2.gz BVVQGSNYAZVFHO-CPUCHLNUSA-N -2 1 325.364 2.871 20 0 EFADML O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@@H]2CCC[C@H]21 ZINC001608631966 1097971209 /nfs/dbraw/zinc/97/12/09/1097971209.db2.gz UFZHWBOCPYGIPY-OUCADQQQSA-N -2 1 337.803 2.690 20 0 EFADML O=C([O-])C[C@@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC001608667885 1097983807 /nfs/dbraw/zinc/98/38/07/1097983807.db2.gz XYGCRXSGAUKVBT-JTQLQIEISA-N -2 1 331.290 2.642 20 0 EFADML O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])cc1F ZINC001608705278 1097995531 /nfs/dbraw/zinc/99/55/31/1097995531.db2.gz JGDTXQVZIVLMPO-CYBMUJFWSA-N -2 1 331.343 2.737 20 0 EFADML O=C([O-])CCCc1csc([N-]C(=O)c2ncoc2C(F)(F)F)n1 ZINC001608718868 1098000139 /nfs/dbraw/zinc/00/01/39/1098000139.db2.gz DEYVTSZKTGDAAP-UHFFFAOYSA-N -2 1 349.290 2.810 20 0 EFADML O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001608771496 1098015944 /nfs/dbraw/zinc/01/59/44/1098015944.db2.gz VWIUWEHADCUCLD-GZMMTYOYSA-N -2 1 331.290 2.784 20 0 EFADML O=C([O-])Cc1csc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC001608793118 1098024576 /nfs/dbraw/zinc/02/45/76/1098024576.db2.gz UKFXHEKWQLTSGX-UHFFFAOYSA-N -2 1 346.286 2.747 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]C2CCCCCC2)c1F ZINC001608850154 1098044052 /nfs/dbraw/zinc/04/40/52/1098044052.db2.gz HJHMGUJCWFCVPY-UHFFFAOYSA-N -2 1 333.356 2.664 20 0 EFADML O=C([O-])c1cc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)on1 ZINC001608856070 1098046472 /nfs/dbraw/zinc/04/64/72/1098046472.db2.gz LUQLTXGWEMEEKU-UHFFFAOYSA-N -2 1 341.654 2.754 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@H]2C2CCCCC2)oc1Cl ZINC001608860342 1098047652 /nfs/dbraw/zinc/04/76/52/1098047652.db2.gz GJLDFFLFJDHLHM-ONGXEEELSA-N -2 1 347.820 2.878 20 0 EFADML O=C([O-])c1ccc2c(c1)CN(C(=O)c1c(F)ccc([O-])c1F)CC2 ZINC001608922901 1098074336 /nfs/dbraw/zinc/07/43/36/1098074336.db2.gz BBJQAMLMBFAAKZ-UHFFFAOYSA-N -2 1 333.290 2.567 20 0 EFADML O=C([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(C3CC3)cn2)c1 ZINC001608932654 1098080348 /nfs/dbraw/zinc/08/03/48/1098080348.db2.gz VVPDLPMGYBHHOK-UHFFFAOYSA-N -2 1 332.381 2.599 20 0 EFADML C[C@@](CC(=O)[O-])(NC(=O)c1c([O-])cccc1Cl)c1ccncc1 ZINC001609729342 1098440716 /nfs/dbraw/zinc/44/07/16/1098440716.db2.gz RGEWZPBXHRZTQG-INIZCTEOSA-N -2 1 334.759 2.561 20 0 EFADML C[C@@]1([N-]S(=O)(=O)c2c(F)cccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC001609825552 1098469556 /nfs/dbraw/zinc/46/95/56/1098469556.db2.gz YZJNRPVEKNDLGA-LKFCYVNXSA-N -2 1 349.811 2.791 20 0 EFADML CCc1cc(=O)[n-]c(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC001610057899 1098532709 /nfs/dbraw/zinc/53/27/09/1098532709.db2.gz FKMZJNHHOSMTCH-SECBINFHSA-N -2 1 349.412 2.751 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC001610062933 1098535504 /nfs/dbraw/zinc/53/55/04/1098535504.db2.gz RECBMABWDDACIL-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML Cc1[nH]c(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c(C)c1C(=O)[O-] ZINC001610400152 1098656195 /nfs/dbraw/zinc/65/61/95/1098656195.db2.gz OZCTYTUUBQCJDS-UHFFFAOYSA-N -2 1 347.396 2.678 20 0 EFADML Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001610496592 1098714968 /nfs/dbraw/zinc/71/49/68/1098714968.db2.gz BGCLRGJWMMUVAC-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC001610545474 1098744708 /nfs/dbraw/zinc/74/47/08/1098744708.db2.gz KCSVJAYSSDNLRR-UHFFFAOYSA-N -2 1 340.426 2.622 20 0 EFADML Cc1csc([N-]S(=O)(=O)CCCC2CCOCC2)c1C(=O)[O-] ZINC001610547813 1098744905 /nfs/dbraw/zinc/74/49/05/1098744905.db2.gz MUYCOINTRQRZMB-UHFFFAOYSA-N -2 1 347.458 2.703 20 0 EFADML Cc1c(C(=O)[O-])csc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001610553132 1098747413 /nfs/dbraw/zinc/74/74/13/1098747413.db2.gz QRIFXVFQAJSWPD-UHFFFAOYSA-N -2 1 335.385 2.934 20 0 EFADML O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001610702565 1098835211 /nfs/dbraw/zinc/83/52/11/1098835211.db2.gz IWTKUEJBTYXXBS-KOLCDFICSA-N -2 1 331.290 2.784 20 0 EFADML O=C([O-])[C@@H](CS(=O)(=O)[N-]c1cccc2cc[nH]c21)c1ccccc1 ZINC001610715893 1098841529 /nfs/dbraw/zinc/84/15/29/1098841529.db2.gz UPIHPIOQDLGWND-AWEZNQCLSA-N -2 1 344.392 2.778 20 0 EFADML Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001639299081 1100936193 /nfs/dbraw/zinc/93/61/93/1100936193.db2.gz UEJVJFXKIKAEEF-UHFFFAOYSA-N -2 1 328.303 2.583 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1O ZINC000780395755 1103513429 /nfs/dbraw/zinc/51/34/29/1103513429.db2.gz KXTYIWJMLAZSFS-UHFFFAOYSA-N -2 1 343.307 2.829 20 0 EFADML O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000159920995 1109806024 /nfs/dbraw/zinc/80/60/24/1109806024.db2.gz WGAZIIOPRFRHSK-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000071858381 202355375 /nfs/dbraw/zinc/35/53/75/202355375.db2.gz BKHOFUQNWCGJAY-UHFFFAOYSA-N -2 1 334.275 2.533 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000041705085 204054850 /nfs/dbraw/zinc/05/48/50/204054850.db2.gz HQBQFIRCZMZIGF-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000042792512 204145865 /nfs/dbraw/zinc/14/58/65/204145865.db2.gz JXHVXSSMYAAZBS-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000047202327 204336223 /nfs/dbraw/zinc/33/62/23/204336223.db2.gz FAPBOTDSYJCAJG-UHFFFAOYSA-N -2 1 335.356 2.813 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)c1O ZINC000047383670 204338508 /nfs/dbraw/zinc/33/85/08/204338508.db2.gz LVVSGQOTGJCHTM-UHFFFAOYSA-N -2 1 335.381 2.816 20 0 EFADML Cc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266894341 291749290 /nfs/dbraw/zinc/74/92/90/291749290.db2.gz NDUAUSKLRMDQQH-NTZNESFSSA-N -2 1 342.399 2.538 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1F ZINC000321987548 141495315 /nfs/dbraw/zinc/49/53/15/141495315.db2.gz KVLHKNXCXMQCPD-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000340449090 141801588 /nfs/dbraw/zinc/80/15/88/141801588.db2.gz AMPMIHIDCIPEAH-LURJTMIESA-N -2 1 345.726 2.500 20 0 EFADML O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc(O)c3)c1)CCCC2 ZINC000342796947 145195842 /nfs/dbraw/zinc/19/58/42/145195842.db2.gz LQCOINBLDCKUJE-UHFFFAOYSA-N -2 1 347.392 2.770 20 0 EFADML Cc1cc(C(=O)NCC[C@H](C)CC(C)(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000344173077 145384573 /nfs/dbraw/zinc/38/45/73/145384573.db2.gz CMQAKDSZVAAQKQ-JTQLQIEISA-N -2 1 346.431 2.937 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000351828840 146213508 /nfs/dbraw/zinc/21/35/08/146213508.db2.gz ITQVGSKMRILDIY-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000356481662 147256104 /nfs/dbraw/zinc/25/61/04/147256104.db2.gz OZIUYSGZZNOOHL-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1O ZINC000360231522 148305226 /nfs/dbraw/zinc/30/52/26/148305226.db2.gz SRMFHAYDUWBEDR-UHFFFAOYSA-N -2 1 347.392 2.688 20 0 EFADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000319473246 311237094 /nfs/dbraw/zinc/23/70/94/311237094.db2.gz QWQQKUFTKKFJOA-UHFFFAOYSA-N -2 1 339.394 2.586 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000324901549 311242437 /nfs/dbraw/zinc/24/24/37/311242437.db2.gz VTIXZANSMQFTEG-UHFFFAOYSA-N -2 1 349.408 2.949 20 0 EFADML CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(F)c2[O-])no1 ZINC000530146067 317062352 /nfs/dbraw/zinc/06/23/52/317062352.db2.gz YVMIAUQMCVUMNS-UHFFFAOYSA-N -2 1 328.365 2.759 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1C(=O)[O-] ZINC000532648601 317425785 /nfs/dbraw/zinc/42/57/85/317425785.db2.gz FTOSQAZPVVCFRL-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000540294968 317742854 /nfs/dbraw/zinc/74/28/54/317742854.db2.gz XLRASGYYNWQHKD-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1C(=O)[O-] ZINC000547596851 318020540 /nfs/dbraw/zinc/02/05/40/318020540.db2.gz VAYKGZOUXZKMIN-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000547608880 318021136 /nfs/dbraw/zinc/02/11/36/318021136.db2.gz AZAKKFZJYXODRX-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000547612718 318021506 /nfs/dbraw/zinc/02/15/06/318021506.db2.gz JIMQWVWKLMATQK-LBPRGKRZSA-N -2 1 339.413 2.991 20 0 EFADML O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000548559862 318119549 /nfs/dbraw/zinc/11/95/49/318119549.db2.gz UBSODRUJFYPAIV-AAEUAGOBSA-N -2 1 347.383 2.667 20 0 EFADML C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548593670 318121650 /nfs/dbraw/zinc/12/16/50/318121650.db2.gz KAXIWKNLAANKFO-NSHDSACASA-N -2 1 325.386 2.745 20 0 EFADML O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000561451610 318603506 /nfs/dbraw/zinc/60/35/06/318603506.db2.gz WSKIYWGGRFOSNN-OLZOCXBDSA-N -2 1 337.397 2.745 20 0 EFADML O=C([O-])C1([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCCCC1 ZINC000567564194 319182550 /nfs/dbraw/zinc/18/25/50/319182550.db2.gz WYECJJAKLHBLKX-UHFFFAOYSA-N -2 1 341.360 2.638 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c(F)c1 ZINC000569476247 319384663 /nfs/dbraw/zinc/38/46/63/319384663.db2.gz SYCGLYOERRFDNK-MNOVXSKESA-N -2 1 349.399 2.831 20 0 EFADML CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000570519251 319484908 /nfs/dbraw/zinc/48/49/08/319484908.db2.gz SLCGIKBXZKPTHN-PELKAZGASA-N -2 1 337.800 2.503 20 0 EFADML O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cc3ccccc3cc1[O-])C2 ZINC000296691526 323581850 /nfs/dbraw/zinc/58/18/50/323581850.db2.gz ANADQXQNTOFUPD-LIRRHRJNSA-N -2 1 325.364 2.872 20 0 EFADML O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000580528607 324181067 /nfs/dbraw/zinc/18/10/67/324181067.db2.gz BFRILCAUQXPMSD-KYZUINATSA-N -2 1 337.850 2.571 20 0 EFADML O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000581354708 324357585 /nfs/dbraw/zinc/35/75/85/324357585.db2.gz LXXWYZLFYHUBOR-AAEUAGOBSA-N -2 1 337.397 2.745 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000582518988 324609997 /nfs/dbraw/zinc/60/99/97/324609997.db2.gz FNDDFKSTNIGHAD-UHFFFAOYSA-N -2 1 342.376 2.663 20 0 EFADML O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000013340534 471826039 /nfs/dbraw/zinc/82/60/39/471826039.db2.gz ZFYQGLWXSLHFRI-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000013464561 471830571 /nfs/dbraw/zinc/83/05/71/471830571.db2.gz QSDZMNYYPSYIFD-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000034857517 471991435 /nfs/dbraw/zinc/99/14/35/471991435.db2.gz VPNZJCRNJIJMJG-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000035295952 471994685 /nfs/dbraw/zinc/99/46/85/471994685.db2.gz NPFSOUFYXWPMBB-UHFFFAOYSA-N -2 1 325.773 2.768 20 0 EFADML O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000035306794 471995337 /nfs/dbraw/zinc/99/53/37/471995337.db2.gz HZFGZUDPEQDJEW-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000037045526 472009421 /nfs/dbraw/zinc/00/94/21/472009421.db2.gz NNWVZTXNJLYDGO-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1C ZINC000069147910 472298257 /nfs/dbraw/zinc/29/82/57/472298257.db2.gz YGOHKAYRGCEAKW-UHFFFAOYSA-N -2 1 344.392 2.983 20 0 EFADML C[C@@H](Oc1cccc(/C=C2\Oc3cc([O-])ccc3C2=O)c1)C(=O)[O-] ZINC000069621617 472383552 /nfs/dbraw/zinc/38/35/52/472383552.db2.gz ONRDNQQYYRSRIK-NUEDXCKTSA-N -2 1 326.304 2.860 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1F ZINC000032596967 472445738 /nfs/dbraw/zinc/44/57/38/472445738.db2.gz VQMLNZOCBLZHBP-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C)c3)cc2o1 ZINC000097165072 472470852 /nfs/dbraw/zinc/47/08/52/472470852.db2.gz KXEOAYPCNQNALM-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000045945842 472488529 /nfs/dbraw/zinc/48/85/29/472488529.db2.gz YYJLTLDTVHVNOT-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC000048230739 472836434 /nfs/dbraw/zinc/83/64/34/472836434.db2.gz UXNNVNSRWVCIHI-UHFFFAOYSA-N -2 1 344.348 2.841 20 0 EFADML CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000064467702 472856037 /nfs/dbraw/zinc/85/60/37/472856037.db2.gz UONZQTPOLCSCTI-UHFFFAOYSA-N -2 1 348.380 2.534 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193359367 473783197 /nfs/dbraw/zinc/78/31/97/473783197.db2.gz DUCHDQJWRXDSLK-UHFFFAOYSA-N -2 1 344.392 2.814 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193361846 473784063 /nfs/dbraw/zinc/78/40/63/473784063.db2.gz QAIHOUFJZQDTRN-UHFFFAOYSA-N -2 1 330.365 2.560 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1 ZINC000175012247 474131145 /nfs/dbraw/zinc/13/11/45/474131145.db2.gz XHEDKXUPYDIAGS-UHFFFAOYSA-N -2 1 348.405 2.724 20 0 EFADML Cc1cc(C(=O)N2CC=C(C(C)(C)C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000270474346 474133397 /nfs/dbraw/zinc/13/33/97/474133397.db2.gz RBBYGRVWKOWGNF-UHFFFAOYSA-N -2 1 342.399 2.563 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1CC ZINC000340787928 474666859 /nfs/dbraw/zinc/66/68/59/474666859.db2.gz DTPFXPRVRRCFNK-UHFFFAOYSA-N -2 1 336.413 2.649 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000337061004 474672290 /nfs/dbraw/zinc/67/22/90/474672290.db2.gz XJXGESXDYJMLEB-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000340841759 474708258 /nfs/dbraw/zinc/70/82/58/474708258.db2.gz AHTNNLRBEIIANR-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000340902372 474763802 /nfs/dbraw/zinc/76/38/02/474763802.db2.gz PQYJJVTUIGJOSK-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1 ZINC000340913880 474774536 /nfs/dbraw/zinc/77/45/36/474774536.db2.gz HYOAQCQOJMRMHX-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000315142300 474869221 /nfs/dbraw/zinc/86/92/21/474869221.db2.gz BOZYSMOITZJKIQ-UHFFFAOYSA-N -2 1 335.259 2.504 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1F ZINC000316220635 474877556 /nfs/dbraw/zinc/87/75/56/474877556.db2.gz YSHREZHUOMZCOY-UHFFFAOYSA-N -2 1 345.373 2.703 20 0 EFADML Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000316404799 474878282 /nfs/dbraw/zinc/87/82/82/474878282.db2.gz MWLOHMXDCNHIDK-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000316451442 474880465 /nfs/dbraw/zinc/88/04/65/474880465.db2.gz LQAUDKVGVRHZDB-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1F ZINC000318243765 474890949 /nfs/dbraw/zinc/89/09/49/474890949.db2.gz AIQLCDKVTGXSCY-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1F ZINC000318865120 474894684 /nfs/dbraw/zinc/89/46/84/474894684.db2.gz JFUTUSBZYJEGPX-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000319735904 474902516 /nfs/dbraw/zinc/90/25/16/474902516.db2.gz CJKJDFZXRDWSJH-UHFFFAOYSA-N -2 1 335.381 2.513 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000320170520 474908202 /nfs/dbraw/zinc/90/82/02/474908202.db2.gz JOFXAOQUKOIGMV-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(F)c1 ZINC000320742484 474917568 /nfs/dbraw/zinc/91/75/68/474917568.db2.gz AVUVPCJYGCMSQE-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000323799221 474955494 /nfs/dbraw/zinc/95/54/94/474955494.db2.gz KQFZUVSTOABORK-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000324909764 474979890 /nfs/dbraw/zinc/97/98/90/474979890.db2.gz RLPFMHHCFJGEPF-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3ncccc32)ccc1F ZINC000325660315 474993483 /nfs/dbraw/zinc/99/34/83/474993483.db2.gz JXLCVUCNWAPUOZ-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000339408374 475198228 /nfs/dbraw/zinc/19/82/28/475198228.db2.gz AIVNPKLVQLNKHT-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000342974654 475666553 /nfs/dbraw/zinc/66/65/53/475666553.db2.gz XUGAFEKGYPYIDB-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1C(=O)[O-] ZINC000358490576 475720241 /nfs/dbraw/zinc/72/02/41/475720241.db2.gz DLCXNTWUHQSQSM-UHFFFAOYSA-N -2 1 347.392 2.683 20 0 EFADML O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc12 ZINC000358620818 475815284 /nfs/dbraw/zinc/81/52/84/475815284.db2.gz BNRGHQKGXQVEDD-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(F)c1 ZINC000361987885 475918804 /nfs/dbraw/zinc/91/88/04/475918804.db2.gz UTGCWMOGYVCLRS-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1 ZINC000336852621 476142802 /nfs/dbraw/zinc/14/28/02/476142802.db2.gz UZKRMMKFLLKWMY-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000336863202 476146988 /nfs/dbraw/zinc/14/69/88/476146988.db2.gz DWFBMFSZZQRUOU-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000336868971 476150374 /nfs/dbraw/zinc/15/03/74/476150374.db2.gz XBMSIYQKUBGHJK-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362306143 476157289 /nfs/dbraw/zinc/15/72/89/476157289.db2.gz QNUDIESARAEUET-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1c(C)ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000336875470 476159545 /nfs/dbraw/zinc/15/95/45/476159545.db2.gz HDZYFMOLKQIIMK-UHFFFAOYSA-N -2 1 349.408 2.740 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000336875918 476160843 /nfs/dbraw/zinc/16/08/43/476160843.db2.gz NMPLQTZOUUCSNL-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML COc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000359078199 476169816 /nfs/dbraw/zinc/16/98/16/476169816.db2.gz ISPBFWILIZOSRK-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])c1csc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c1 ZINC000357153963 476266823 /nfs/dbraw/zinc/26/68/23/476266823.db2.gz YRCWXFPOKZEBGD-UHFFFAOYSA-N -2 1 347.364 2.517 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000357425697 476375432 /nfs/dbraw/zinc/37/54/32/476375432.db2.gz QDMQISOAMQZQBU-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1 ZINC000410039285 476997730 /nfs/dbraw/zinc/99/77/30/476997730.db2.gz BDBVBGPRLLYJGX-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2cccc(C(=O)[O-])c2)[n-]c1=O ZINC000432700402 477250941 /nfs/dbraw/zinc/25/09/41/477250941.db2.gz UNHMCWKCCKHRKY-YFHOEESVSA-N -2 1 328.324 2.618 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1C(=O)[O-] ZINC000432780761 477262817 /nfs/dbraw/zinc/26/28/17/477262817.db2.gz LQSSPVYXIQDMBD-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)ccc1C(=O)[O-] ZINC000432782507 477264615 /nfs/dbraw/zinc/26/46/15/477264615.db2.gz UNTSKUQXIUZWSW-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COC(=O)c1ccc([O-])c(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436502089 477496051 /nfs/dbraw/zinc/49/60/51/477496051.db2.gz BGKHOFJTRPZLJE-UHFFFAOYSA-N -2 1 339.706 2.929 20 0 EFADML O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000436892526 477627119 /nfs/dbraw/zinc/62/71/19/477627119.db2.gz KGRCESZUOYLFEE-UHFFFAOYSA-N -2 1 327.745 2.545 20 0 EFADML CCOCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000438727883 477880994 /nfs/dbraw/zinc/88/09/94/477880994.db2.gz SOCNDWPLKIFFFU-UHFFFAOYSA-N -2 1 335.381 2.722 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)CCC(F)(F)F)c1C(=O)[O-] ZINC000560081644 478019330 /nfs/dbraw/zinc/01/93/30/478019330.db2.gz LDDCEHVHLPZULQ-UHFFFAOYSA-N -2 1 329.271 2.526 20 0 EFADML CC1(C)CCC([N-]S(=O)(=O)c2cc(F)ccc2F)(C(=O)[O-])CC1 ZINC000542860158 478702185 /nfs/dbraw/zinc/70/21/85/478702185.db2.gz DSVWFFWQRGJYLH-UHFFFAOYSA-N -2 1 347.383 2.667 20 0 EFADML O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cnc2ccccc2c1[O-] ZINC000507391328 478919373 /nfs/dbraw/zinc/91/93/73/478919373.db2.gz KHQGTNSUBDWJIN-UHFFFAOYSA-N -2 1 348.387 2.721 20 0 EFADML C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl ZINC000556703245 479178262 /nfs/dbraw/zinc/17/82/62/479178262.db2.gz RCCOFOZYNOTUEW-DTWKUNHWSA-N -2 1 339.866 2.959 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C(=O)[O-])c1 ZINC000607614494 479833229 /nfs/dbraw/zinc/83/32/29/479833229.db2.gz UDDDTQXIZXNGFQ-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1ccc(-c2cc(C(=O)N=c3nc(CC(C)C)[n-]s3)[nH]n2)o1 ZINC000618346626 480628820 /nfs/dbraw/zinc/62/88/20/480628820.db2.gz BDFVOHOYOICYJU-UHFFFAOYSA-N -2 1 331.401 2.702 20 0 EFADML CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)CC(=O)[O-] ZINC000630447692 480716490 /nfs/dbraw/zinc/71/64/90/480716490.db2.gz VALIWRNCHNPLJH-VIFPVBQESA-N -2 1 339.360 2.633 20 0 EFADML O=C([O-])c1cnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000630457312 480721298 /nfs/dbraw/zinc/72/12/98/480721298.db2.gz VPUSJJOGPAJDNL-UHFFFAOYSA-N -2 1 332.381 2.646 20 0 EFADML CCC(CC)(C[N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000643973144 481663577 /nfs/dbraw/zinc/66/35/77/481663577.db2.gz LDQJCJCSORDICI-UHFFFAOYSA-N -2 1 325.386 2.602 20 0 EFADML Cc1nc(-c2ccc(N3C[C@@H](C(=O)[O-])CC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000662893484 482008427 /nfs/dbraw/zinc/00/84/27/482008427.db2.gz MOAAKBHWNZRFOY-YGRLFVJLSA-N -2 1 342.399 2.551 20 0 EFADML C[C@H](C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000654768400 482044173 /nfs/dbraw/zinc/04/41/73/482044173.db2.gz SIHSZXASRPIMNK-SSDOTTSWSA-N -2 1 333.818 2.554 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000070156499 524699046 /nfs/dbraw/zinc/69/90/46/524699046.db2.gz IQNCWYGAOKHFIE-UHFFFAOYSA-N -2 1 347.801 2.909 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1F ZINC000229619791 526379838 /nfs/dbraw/zinc/37/98/38/526379838.db2.gz GMGLLLFYQLPVGC-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1 ZINC000074829613 526383049 /nfs/dbraw/zinc/38/30/49/526383049.db2.gz OLYBBCOAUVXUGM-UHFFFAOYSA-N -2 1 342.376 2.976 20 0 EFADML CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000433599001 535347376 /nfs/dbraw/zinc/34/73/76/535347376.db2.gz JHRULINHVOWDKR-UHFFFAOYSA-N -2 1 333.365 2.778 20 0 EFADML O=C([O-])Cc1csc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)n1 ZINC000238141034 545570815 /nfs/dbraw/zinc/57/08/15/545570815.db2.gz NPPSCMRAXLGWTH-UHFFFAOYSA-N -2 1 346.343 2.552 20 0 EFADML O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000202421534 545556079 /nfs/dbraw/zinc/55/60/79/545556079.db2.gz FOGLTGBXRJWEQB-UHFFFAOYSA-N -2 1 344.603 2.542 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000318984152 545814762 /nfs/dbraw/zinc/81/47/62/545814762.db2.gz ZJUOPGYGTLINND-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1C(=O)[O-] ZINC000322469391 545819396 /nfs/dbraw/zinc/81/93/96/545819396.db2.gz KJKGJHMPFMZUSG-UHFFFAOYSA-N -2 1 337.401 2.515 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)c(Cl)c1 ZINC000676076165 548403884 /nfs/dbraw/zinc/40/38/84/548403884.db2.gz LMLHEVMKKODPAU-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000759544132 575898192 /nfs/dbraw/zinc/89/81/92/575898192.db2.gz ANBNXOTXYXVSNH-UHFFFAOYSA-N -2 1 336.290 2.978 20 0 EFADML COc1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c([O-])c1 ZINC000737929911 577269896 /nfs/dbraw/zinc/26/98/96/577269896.db2.gz KODLBLZKXVIKLG-UHFFFAOYSA-N -2 1 330.340 2.763 20 0 EFADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000391967051 597314390 /nfs/dbraw/zinc/31/43/90/597314390.db2.gz GGEVZFAORABXAK-UHFFFAOYSA-N -2 1 345.420 2.993 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc(C)c1F ZINC000818853267 597315114 /nfs/dbraw/zinc/31/51/14/597315114.db2.gz WBXHWJQHIVAELP-UHFFFAOYSA-N -2 1 337.372 2.870 20 0 EFADML Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)cc2o1 ZINC000738875585 599906542 /nfs/dbraw/zinc/90/65/42/599906542.db2.gz QXMIIFRXJIDNRH-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccsc3C(=O)[O-])ccc2O1 ZINC000736824982 599938335 /nfs/dbraw/zinc/93/83/35/599938335.db2.gz IQARNJQRMQPNCE-MRVPVSSYSA-N -2 1 339.394 2.571 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000736197456 600093008 /nfs/dbraw/zinc/09/30/08/600093008.db2.gz ZEBNAQQOPMROGX-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000738108181 600097881 /nfs/dbraw/zinc/09/78/81/600097881.db2.gz AOTCTEWEPBVTPN-UHFFFAOYSA-N -2 1 336.369 2.610 20 0 EFADML O=C([O-])Nc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1F ZINC000740013396 600101591 /nfs/dbraw/zinc/10/15/91/600101591.db2.gz JHAWOHLFTMMCHO-UHFFFAOYSA-N -2 1 328.296 2.856 20 0 EFADML Cc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2[O-])C(=O)[O-])cc1 ZINC000738566711 600173929 /nfs/dbraw/zinc/17/39/29/600173929.db2.gz HVQAAIOYEZYUPD-AWEZNQCLSA-N -2 1 333.771 2.952 20 0 EFADML CN(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737485764 600300004 /nfs/dbraw/zinc/30/00/04/600300004.db2.gz FEWLANCQSRWAIN-UHFFFAOYSA-N -2 1 338.360 2.736 20 0 EFADML CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(Cl)ccc1[O-] ZINC000737167908 600485705 /nfs/dbraw/zinc/48/57/05/600485705.db2.gz JJKQEEAIPRCEDJ-NSHDSACASA-N -2 1 343.807 2.635 20 0 EFADML Cc1nc2cc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)ccc2o1 ZINC000325060280 600625830 /nfs/dbraw/zinc/62/58/30/600625830.db2.gz SVIGSBMLVHIRDW-UHFFFAOYSA-N -2 1 346.364 2.564 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000388896030 600636006 /nfs/dbraw/zinc/63/60/06/600636006.db2.gz SDFJURKFXUMZOS-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML O=C([O-])C[C@@H]1CSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000320336735 600666796 /nfs/dbraw/zinc/66/67/96/600666796.db2.gz NQOODLNURFTXLR-GFCCVEGCSA-N -2 1 331.393 2.578 20 0 EFADML CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1c([O-])cccc1Cl ZINC000830000123 600722659 /nfs/dbraw/zinc/72/26/59/600722659.db2.gz CLTIDHYDGRTDQS-LLVKDONJSA-N -2 1 343.807 2.635 20 0 EFADML O=C([O-])CCc1nnc([N-]C(=O)c2cc3cccc(F)c3o2)s1 ZINC000739777355 601020146 /nfs/dbraw/zinc/02/01/46/601020146.db2.gz OLQGGUHMYGUBRK-UHFFFAOYSA-N -2 1 335.316 2.693 20 0 EFADML Cc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1C(=O)[O-] ZINC000237727199 601281621 /nfs/dbraw/zinc/28/16/21/601281621.db2.gz WSNCSHCOWDWIDA-UHFFFAOYSA-N -2 1 343.383 2.635 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000326937661 601282346 /nfs/dbraw/zinc/28/23/46/601282346.db2.gz AGAGUZCBHNJFEB-UHFFFAOYSA-N -2 1 343.383 2.884 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)ccc1F ZINC000733122150 601321958 /nfs/dbraw/zinc/32/19/58/601321958.db2.gz WCXZTPGWSWXSTG-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC000832888677 601322270 /nfs/dbraw/zinc/32/22/70/601322270.db2.gz ZKUAGTVFHBOTIN-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c1 ZINC000832888110 601333070 /nfs/dbraw/zinc/33/30/70/601333070.db2.gz PRNSACUIHPGTOR-UHFFFAOYSA-N -2 1 338.360 2.703 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccncc32)ccc1F ZINC000325470531 601491759 /nfs/dbraw/zinc/49/17/59/601491759.db2.gz JQLJYMDYZQKUBR-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML COc1ccc(F)c([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000321401283 601491923 /nfs/dbraw/zinc/49/19/23/601491923.db2.gz FSWUBOVRJBRYGW-UHFFFAOYSA-N -2 1 343.332 2.543 20 0 EFADML O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CC1 ZINC000137202400 601573748 /nfs/dbraw/zinc/57/37/48/601573748.db2.gz ISFXGHHRBBROST-LURJTMIESA-N -2 1 344.241 2.587 20 0 EFADML Cc1cc(C(=O)Nc2c([O-])cccc2F)cc(C)c1OCC(=O)[O-] ZINC000832865346 601757654 /nfs/dbraw/zinc/75/76/54/601757654.db2.gz ZMYBSIQFTKUWQD-UHFFFAOYSA-N -2 1 333.315 2.864 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C)n1 ZINC000321554695 601771112 /nfs/dbraw/zinc/77/11/12/601771112.db2.gz PUBLYSZSCLJXLU-UHFFFAOYSA-N -2 1 334.397 2.814 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1O ZINC000389457858 601829303 /nfs/dbraw/zinc/82/93/03/601829303.db2.gz JDLCYAXRYJQIBP-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000830104809 601859895 /nfs/dbraw/zinc/85/98/95/601859895.db2.gz UOHYOCRFNTWSFJ-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)[nH]n1 ZINC000829216703 601861796 /nfs/dbraw/zinc/86/17/96/601861796.db2.gz SGBLWWTVPDLPCN-SNVBAGLBSA-N -2 1 337.401 2.812 20 0 EFADML CCCCc1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]n1 ZINC000829430601 602103081 /nfs/dbraw/zinc/10/30/81/602103081.db2.gz GNKJFHSIIZPGEB-YFHOEESVSA-N -2 1 349.412 2.651 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c1 ZINC000737834289 602644857 /nfs/dbraw/zinc/64/48/57/602644857.db2.gz ANCYTDLPCLEODO-UHFFFAOYSA-N -2 1 336.369 2.724 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1 ZINC000825957697 604845470 /nfs/dbraw/zinc/84/54/70/604845470.db2.gz ZRLOAVLVPRVFGG-UHFFFAOYSA-N -2 1 345.351 2.637 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)cc1 ZINC000833726259 605042431 /nfs/dbraw/zinc/04/24/31/605042431.db2.gz YISBNQOEMZSSRB-UHFFFAOYSA-N -2 1 336.369 2.724 20 0 EFADML O=C([O-])C1(CNC(=O)c2ccc(Br)c([O-])c2)CCCC1 ZINC000236422017 605050562 /nfs/dbraw/zinc/05/05/62/605050562.db2.gz IRGURQLUHMQCLI-UHFFFAOYSA-N -2 1 342.189 2.530 20 0 EFADML Cc1ccc([C@@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)s1 ZINC000746158904 1271849536 /nfs/dbraw/zinc/84/95/36/1271849536.db2.gz ZOMVKEUVMSFLGO-SECBINFHSA-N -2 1 344.396 2.605 20 0 EFADML CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000821173424 1277476837 /nfs/dbraw/zinc/47/68/37/1277476837.db2.gz PDBGLTCXDBPPFP-LBPRGKRZSA-N -2 1 335.809 2.519 20 0 EFADML CC(C)(C)CC(C)(C)NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927074 1281826200 /nfs/dbraw/zinc/82/62/00/1281826200.db2.gz BXGFGWDDRAYXBV-UHFFFAOYSA-N -2 1 329.418 2.584 20 0 EFADML O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176584876 1288026626 /nfs/dbraw/zinc/02/66/26/1288026626.db2.gz SEELYEPQRZUOEP-UHFFFAOYSA-N -2 1 332.341 2.729 20 0 EFADML O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc2oc(=S)[n-]c2c1 ZINC000816843573 1288300840 /nfs/dbraw/zinc/30/08/40/1288300840.db2.gz MWUULWMSDIEVPY-UHFFFAOYSA-N -2 1 329.263 2.506 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc(Cl)n1 ZINC001184668420 1290493134 /nfs/dbraw/zinc/49/31/34/1290493134.db2.gz UHDVCNSDLXTODV-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(C)O)cc1C(=O)[O-] ZINC001184695701 1290494665 /nfs/dbraw/zinc/49/46/65/1290494665.db2.gz DJJOHWCVWKCKSX-UHFFFAOYSA-N -2 1 349.408 2.721 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(O)cc(Cl)c2)cc1C(=O)[O-] ZINC001184696123 1290494800 /nfs/dbraw/zinc/49/48/00/1290494800.db2.gz AIEQEWPSBYPJKH-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3=O)cc1C(=O)[O-] ZINC001184697247 1290494848 /nfs/dbraw/zinc/49/48/48/1290494848.db2.gz OHOPOXFWSCEVSW-UHFFFAOYSA-N -2 1 345.376 2.623 20 0 EFADML O=c1[n-]c(F)c(Cl)c([N-]S(=O)(=O)c2ccoc2)c1Cl ZINC001188575869 1291423450 /nfs/dbraw/zinc/42/34/50/1291423450.db2.gz BZAALCTUNAGGSH-UHFFFAOYSA-N -2 1 327.120 2.627 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001203288499 1312900401 /nfs/dbraw/zinc/90/04/01/1312900401.db2.gz UQHOFZADNKZFSP-UHFFFAOYSA-N -2 1 339.344 2.767 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc(C(=O)[O-])c1F ZINC000133003213 1293749256 /nfs/dbraw/zinc/74/92/56/1293749256.db2.gz WUDZVDOKGCAKCS-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc(C(=O)[O-])c1F ZINC000133184991 1293790327 /nfs/dbraw/zinc/79/03/27/1293790327.db2.gz JHCYSLGOXZYRIM-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C(Nc1nc(Br)ccc1[O-])c1cc(Cl)ncc1[O-] ZINC001196387763 1294220965 /nfs/dbraw/zinc/22/09/65/1294220965.db2.gz UCGPFZPTZJVNEQ-UHFFFAOYSA-N -2 1 344.552 2.556 20 0 EFADML CS(=O)(=O)[N-]c1ccsc1C(=O)Nc1ccccc1[S-] ZINC001196730742 1294352820 /nfs/dbraw/zinc/35/28/20/1294352820.db2.gz COUJQPOPBCSKIT-UHFFFAOYSA-N -2 1 328.440 2.661 20 0 EFADML COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc([S-])cc1 ZINC001197031499 1294445484 /nfs/dbraw/zinc/44/54/84/1294445484.db2.gz QZZTZHZAKHIZCM-UHFFFAOYSA-N -2 1 337.422 2.871 20 0 EFADML CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198782678 1295228252 /nfs/dbraw/zinc/22/82/52/1295228252.db2.gz NUEQVCFGNKMMGU-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-n1cccc1 ZINC001198779453 1295248581 /nfs/dbraw/zinc/24/85/81/1295248581.db2.gz PKYIGUBVYVKHGW-UHFFFAOYSA-N -2 1 342.376 2.976 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccccc2OC)ccc1[S-] ZINC001259301704 1316227324 /nfs/dbraw/zinc/22/73/24/1316227324.db2.gz WTEJMANIWYUAAI-UHFFFAOYSA-N -2 1 325.411 2.793 20 0 EFADML O=C([O-])c1cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c(F)cc1Cl ZINC001244615808 1314395476 /nfs/dbraw/zinc/39/54/76/1314395476.db2.gz XRCMXSAQDUNPFG-UHFFFAOYSA-N -2 1 333.702 2.657 20 0 EFADML COc1ncc(-c2ccc([S-])c(F)c2)cc1[N-]S(C)(=O)=O ZINC001244795414 1314414208 /nfs/dbraw/zinc/41/42/08/1314414208.db2.gz BAMGZHHBZQNARJ-UHFFFAOYSA-N -2 1 328.390 2.557 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1O ZINC000749866413 1311043292 /nfs/dbraw/zinc/04/32/92/1311043292.db2.gz NMXRUSQCNAJFQH-UHFFFAOYSA-N -2 1 347.392 2.770 20 0 EFADML CC(C)Oc1cc(COc2nc3ncnc-3c([S-])[n-]2)c(F)cn1 ZINC001226781682 1311722522 /nfs/dbraw/zinc/72/25/22/1311722522.db2.gz LFUHVYHGEZCVCM-UHFFFAOYSA-N -2 1 335.364 2.542 20 0 EFADML O=C([O-])CNC(=O)c1ccc(Nc2cc(Cl)c([O-])cc2F)cc1 ZINC001250025748 1315168802 /nfs/dbraw/zinc/16/88/02/1315168802.db2.gz JEQOHCPVUGXADO-UHFFFAOYSA-N -2 1 338.722 2.743 20 0 EFADML CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cccc(F)c1[O-])C(=O)C2 ZINC001258985938 1316199068 /nfs/dbraw/zinc/19/90/68/1316199068.db2.gz OWGGFVVLYPVJAX-QLJPJBMISA-N -2 1 341.404 2.668 20 0 EFADML O=S(=O)(CC1CCCCC1)[N-]c1nc(Br)ccc1[O-] ZINC001259613729 1316262103 /nfs/dbraw/zinc/26/21/03/1316262103.db2.gz RPQJIZRTAQDVKM-UHFFFAOYSA-N -2 1 349.250 2.872 20 0 EFADML CC(C)Oc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260189502 1316321519 /nfs/dbraw/zinc/32/15/19/1316321519.db2.gz GJWJKCAWRPTSLW-UHFFFAOYSA-N -2 1 335.381 2.973 20 0 EFADML CCC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001260190156 1316321642 /nfs/dbraw/zinc/32/16/42/1316321642.db2.gz DNBYWPLXDNNTME-UHFFFAOYSA-N -2 1 333.365 2.778 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001260867411 1316374731 /nfs/dbraw/zinc/37/47/31/1316374731.db2.gz XGWBQXXCQWOOEA-UHFFFAOYSA-N -2 1 349.195 2.903 20 0 EFADML Cc1cc(C(=O)N2CCCCC[C@@H]2C(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362286091 1336587534 /nfs/dbraw/zinc/58/75/34/1336587534.db2.gz QBFSTUYBZYGBSL-CYBMUJFWSA-N -2 1 344.415 2.785 20 0 EFADML O=C([N-]c1ncc(-c2nn[n-]n2)s1)C1(c2ccc(F)cc2)CCC1 ZINC000823380176 1428824082 /nfs/dbraw/zinc/82/40/82/1428824082.db2.gz RTNCYOXZVKCRTD-UHFFFAOYSA-N -2 1 344.375 2.523 20 0 EFADML O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000826492895 1429139579 /nfs/dbraw/zinc/13/95/79/1429139579.db2.gz KFFXOKPZPRUCFR-UHFFFAOYSA-N -2 1 341.396 2.545 20 0 EFADML C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1c(F)cccc1F ZINC000824046237 1429365023 /nfs/dbraw/zinc/36/50/23/1429365023.db2.gz RLMYKUSQFVTJDK-QMMMGPOBSA-N -2 1 345.309 2.593 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])[C@H](c1ccccc1)C1CC1 ZINC000826450743 1429396562 /nfs/dbraw/zinc/39/65/62/1429396562.db2.gz BSCWSOPJVBXODT-MRXNPFEDSA-N -2 1 335.367 2.705 20 0 EFADML O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1[O-] ZINC000108710309 1423350361 /nfs/dbraw/zinc/35/03/61/1423350361.db2.gz WTADYSHZDLZHAI-UHFFFAOYSA-N -2 1 331.335 2.978 20 0 EFADML O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1[O-] ZINC000108710309 1423350369 /nfs/dbraw/zinc/35/03/69/1423350369.db2.gz WTADYSHZDLZHAI-UHFFFAOYSA-N -2 1 331.335 2.978 20 0 EFADML CCC[C@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])c1nnn[n-]1 ZINC000678315900 1424394452 /nfs/dbraw/zinc/39/44/52/1424394452.db2.gz OXPCPDDRZZUWKM-ZDUSSCGKSA-N -2 1 345.790 2.983 20 0 EFADML Cc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c(C)c1 ZINC000822234832 1424998704 /nfs/dbraw/zinc/99/87/04/1424998704.db2.gz IXQZMLHPKGPYRG-UHFFFAOYSA-N -2 1 337.383 2.760 20 0 EFADML Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c(C)n1C(C)C ZINC000826260187 1425466797 /nfs/dbraw/zinc/46/67/97/1425466797.db2.gz ACWHXPDOSOBQQJ-UHFFFAOYSA-N -2 1 340.387 2.824 20 0 EFADML Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826308368 1426575281 /nfs/dbraw/zinc/57/52/81/1426575281.db2.gz WIZNSQYIMMVQKQ-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823387686 1426762543 /nfs/dbraw/zinc/76/25/43/1426762543.db2.gz UKRRHFYRSBTZAF-OLDUDPGPSA-N -2 1 325.353 2.591 20 0 EFADML CCc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000825723262 1426905752 /nfs/dbraw/zinc/90/57/52/1426905752.db2.gz VVGPCMFEGGZCJU-UHFFFAOYSA-N -2 1 343.412 2.538 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])C1(Cc2ccccc2)CCC1 ZINC000826451084 1427824260 /nfs/dbraw/zinc/82/42/60/1427824260.db2.gz PIKAMQSNSGPODS-UHFFFAOYSA-N -2 1 349.394 2.924 20 0 EFADML O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([O-])c(Cl)c1 ZINC000738165290 1427845313 /nfs/dbraw/zinc/84/53/13/1427845313.db2.gz BKAZMCYYPGBFPV-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML CC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccc(F)c1 ZINC000819766362 1429829372 /nfs/dbraw/zinc/82/93/72/1429829372.db2.gz XXYQAUOOSGIQBX-JXMROGBWSA-N -2 1 339.330 2.753 20 0 EFADML Cc1c(NC(=O)CC2(CC(=O)[O-])CCCC2)cccc1-c1nnn[n-]1 ZINC000822065765 1441551796 /nfs/dbraw/zinc/55/17/96/1441551796.db2.gz AXHNPOAJEDMPIG-UHFFFAOYSA-N -2 1 343.387 2.539 20 0 EFADML CCCc1cc(=O)[nH]c(SCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000821139359 1442404195 /nfs/dbraw/zinc/40/41/95/1442404195.db2.gz VJTJQQBZOIZAFH-UHFFFAOYSA-N -2 1 346.391 2.746 20 0 EFADML Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc(C)c1F ZINC000826260560 1442414032 /nfs/dbraw/zinc/41/40/32/1442414032.db2.gz UOWLNGAYVUANAJ-UHFFFAOYSA-N -2 1 327.319 2.581 20 0 EFADML CSCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000821969955 1442468777 /nfs/dbraw/zinc/46/87/77/1442468777.db2.gz HHLWZONLHOKJAY-UHFFFAOYSA-N -2 1 341.396 2.688 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(F)cc1Cl ZINC000823294968 1443075524 /nfs/dbraw/zinc/07/55/24/1443075524.db2.gz ZXHXKKYXFLUSRF-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000823386986 1443575207 /nfs/dbraw/zinc/57/52/07/1443575207.db2.gz AISFMXDUEVSONG-PEPZGXQESA-N -2 1 325.353 2.591 20 0 EFADML C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(F)cc1 ZINC000820225547 1443757990 /nfs/dbraw/zinc/75/79/90/1443757990.db2.gz KWSAWHKLTFVIRZ-SNVBAGLBSA-N -2 1 341.346 2.844 20 0 EFADML O=C(Cc1cccc2ccccc21)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823111125 1446190500 /nfs/dbraw/zinc/19/05/00/1446190500.db2.gz ANVQFMKDNAZMKX-UHFFFAOYSA-N -2 1 345.362 2.907 20 0 EFADML Cc1cccc([N-]S(=O)(=O)C=Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826299627 1446236271 /nfs/dbraw/zinc/23/62/71/1446236271.db2.gz NGMOWODGTIGJSF-KHPPLWFESA-N -2 1 341.396 2.588 20 0 EFADML Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c([O-])cccc1Cl ZINC000826278867 1446561462 /nfs/dbraw/zinc/56/14/62/1446561462.db2.gz WOYZJPXZNIVWNC-UHFFFAOYSA-N -2 1 329.747 2.786 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000823294508 1446733037 /nfs/dbraw/zinc/73/30/37/1446733037.db2.gz DRIQXAQIVQXCAH-UHFFFAOYSA-N -2 1 349.272 2.843 20 0 EFADML O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001136073016 1447006221 /nfs/dbraw/zinc/00/62/21/1447006221.db2.gz OQKFFTJQTWKYIR-UHFFFAOYSA-N -2 1 349.272 2.843 20 0 EFADML O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001136073016 1447006225 /nfs/dbraw/zinc/00/62/25/1447006225.db2.gz OQKFFTJQTWKYIR-UHFFFAOYSA-N -2 1 349.272 2.843 20 0 EFADML O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823356509 1449665914 /nfs/dbraw/zinc/66/59/14/1449665914.db2.gz NPNDIMQZNHGMLH-UHFFFAOYSA-N -2 1 344.381 2.610 20 0 EFADML CCCCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000317541445 714586857 /nfs/dbraw/zinc/58/68/57/714586857.db2.gz HZSABIHOSZUOAJ-VIFPVBQESA-N -2 1 335.372 2.910 20 0 EFADML Cc1[nH]nc2cc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc12 ZINC000093909579 716867432 /nfs/dbraw/zinc/86/74/32/716867432.db2.gz AQRXXXPVJLMCLT-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc12 ZINC000093909579 716867437 /nfs/dbraw/zinc/86/74/37/716867437.db2.gz AQRXXXPVJLMCLT-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML CC(C)C[C@](C)(C[N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000926574896 716871323 /nfs/dbraw/zinc/87/13/23/716871323.db2.gz FBSTYPKKYFJBEK-MRXNPFEDSA-N -2 1 339.413 2.848 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000317362330 718053509 /nfs/dbraw/zinc/05/35/09/718053509.db2.gz ZQKIZBWUXPUWII-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])CC[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000909484298 723496775 /nfs/dbraw/zinc/49/67/75/723496775.db2.gz PQOFYMVHRCQEFJ-LBPRGKRZSA-N -2 1 328.368 2.657 20 0 EFADML COc1cc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc(Cl)c1[O-] ZINC000909526694 724230773 /nfs/dbraw/zinc/23/07/73/724230773.db2.gz OPSANWXIUFUEGC-UHFFFAOYSA-N -2 1 341.791 2.819 20 0 EFADML Cc1nc(-c2ccc(N[C@H](CC(C)C)C(=O)[O-])nc2)[n-]c(=O)c1C ZINC000263498381 725824434 /nfs/dbraw/zinc/82/44/34/725824434.db2.gz KFNDWEJOPPSTHP-CYBMUJFWSA-N -2 1 330.388 2.772 20 0 EFADML O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1F ZINC000321763605 726148295 /nfs/dbraw/zinc/14/82/95/726148295.db2.gz QJQBLUXIVYGYRP-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML COc1cc(C(=O)N(CC(=O)[O-])C2CCCCC2)cc(Cl)c1[O-] ZINC000909006208 727299824 /nfs/dbraw/zinc/29/98/24/727299824.db2.gz YXWUPAFFCAQGEO-UHFFFAOYSA-N -2 1 341.791 2.914 20 0 EFADML COc1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc(Cl)c1[O-] ZINC000909060891 727316530 /nfs/dbraw/zinc/31/65/30/727316530.db2.gz XGXADGAQVLOLIZ-UHFFFAOYSA-N -2 1 341.791 2.962 20 0 EFADML CCOc1cc(C(=O)NCC(C)(C)CC(=O)[O-])cc(Cl)c1[O-] ZINC000910830853 727468419 /nfs/dbraw/zinc/46/84/19/727468419.db2.gz SYPFUCVSIAMSEU-UHFFFAOYSA-N -2 1 329.780 2.675 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)sc1C(=O)[O-] ZINC000225613585 728174398 /nfs/dbraw/zinc/17/43/98/728174398.db2.gz KUFHUGHUAIKMGB-UHFFFAOYSA-N -3 1 347.801 2.915 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC000321927979 970825216 /nfs/dbraw/zinc/82/52/16/970825216.db2.gz ZUYKALJUGKWSBY-UHFFFAOYSA-N -2 1 331.393 2.912 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)cc1F ZINC000322172303 970856416 /nfs/dbraw/zinc/85/64/16/970856416.db2.gz NPBPZGXHPIIUQL-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000323778499 971037283 /nfs/dbraw/zinc/03/72/83/971037283.db2.gz CHFYLLDURQNSTF-ZDUSSCGKSA-N -2 1 347.383 2.667 20 0 EFADML CCCc1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)cc1 ZINC000324668861 971145504 /nfs/dbraw/zinc/14/55/04/971145504.db2.gz JYBRTEHCPSIFOE-UHFFFAOYSA-N -2 1 349.408 2.903 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c(C)n1 ZINC000325611955 971230822 /nfs/dbraw/zinc/23/08/22/971230822.db2.gz QOBHEXUVFSROPC-UHFFFAOYSA-N -2 1 346.408 2.615 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1F ZINC000326627118 971310606 /nfs/dbraw/zinc/31/06/06/971310606.db2.gz RCCSQDIDSHUQIO-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc([O-])c1Br ZINC001602853738 971701283 /nfs/dbraw/zinc/70/12/83/971701283.db2.gz YKVSOCYLOAFINS-VIFPVBQESA-N -2 1 330.178 2.840 20 0 EFADML O=C([O-])CC1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCCCC1 ZINC001594984529 951009941 /nfs/dbraw/zinc/00/99/41/951009941.db2.gz HKUONJFFCWVGPN-UHFFFAOYSA-N -2 1 349.811 2.935 20 0 EFADML O=C([O-])Cc1cccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC001595132692 952045191 /nfs/dbraw/zinc/04/51/91/952045191.db2.gz FQDYHUZHTFNCBI-UHFFFAOYSA-N -2 1 349.346 2.520 20 0 EFADML C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001589274446 953449592 /nfs/dbraw/zinc/44/95/92/953449592.db2.gz FOIKRRCVPKDUOC-RKDXNWHRSA-N -2 1 331.290 2.594 20 0 EFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000386831639 972083464 /nfs/dbraw/zinc/08/34/64/972083464.db2.gz UKMUBPZKHDBYFD-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])[C@H]1C[C@@H](NC(=O)c2ncc3ccccc3c2[O-])c2ccccc21 ZINC001594731618 957045752 /nfs/dbraw/zinc/04/57/52/957045752.db2.gz ZAHBEKIIEVPXKJ-JKSUJKDBSA-N -2 1 348.358 2.983 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1C ZINC000035306643 957204751 /nfs/dbraw/zinc/20/47/51/957204751.db2.gz VOZJEPNIKWCZPI-UHFFFAOYSA-N -2 1 327.383 2.564 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C)c1O ZINC000037047773 957262115 /nfs/dbraw/zinc/26/21/15/957262115.db2.gz BQVASJUJFIUGIB-UHFFFAOYSA-N -2 1 327.383 2.570 20 0 EFADML CCC[C@@](C)(NC(=O)c1ccc(Br)cc1[O-])C(=O)[O-] ZINC000044483662 957446104 /nfs/dbraw/zinc/44/61/04/957446104.db2.gz YOLOUJGCUMOUCC-CYBMUJFWSA-N -2 1 330.178 2.528 20 0 EFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000080310072 957765038 /nfs/dbraw/zinc/76/50/38/957765038.db2.gz NZVJBNXKDPALAU-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c1 ZINC000390987250 972311334 /nfs/dbraw/zinc/31/13/34/972311334.db2.gz VQAAQGJZWQFVPB-UHFFFAOYSA-N -2 1 335.381 2.568 20 0 EFADML O=C([O-])C1(NC(=O)c2cc(Br)ccc2[O-])CCCCC1 ZINC000221292449 959805393 /nfs/dbraw/zinc/80/53/93/959805393.db2.gz XAADJYWYTUGSPO-UHFFFAOYSA-N -2 1 342.189 2.672 20 0 EFADML O=C([O-])CC1(NC(=O)c2cc(Br)ccc2[O-])CCCC1 ZINC000236415751 960564836 /nfs/dbraw/zinc/56/48/36/960564836.db2.gz BWURCYQHNSYYEN-UHFFFAOYSA-N -2 1 342.189 2.672 20 0 EFADML CC(C)(CCNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(=O)[O-] ZINC001588775076 961274531 /nfs/dbraw/zinc/27/45/31/961274531.db2.gz DJNMCADVNVJNPX-UHFFFAOYSA-N -2 1 345.351 2.695 20 0 EFADML CC(C)C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)[O-] ZINC001571207802 962418898 /nfs/dbraw/zinc/41/88/98/962418898.db2.gz DQRXVCGDPDZVBG-SECBINFHSA-N -2 1 333.306 2.888 20 0 EFADML N#Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1F ZINC000307919565 963239511 /nfs/dbraw/zinc/23/95/11/963239511.db2.gz ZACMNGMKJCSBJC-BAQGIRSFSA-N -2 1 346.339 2.596 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1C ZINC000318124614 970411044 /nfs/dbraw/zinc/41/10/44/970411044.db2.gz WFXDRWHFXXSYET-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000318134923 970412978 /nfs/dbraw/zinc/41/29/78/970412978.db2.gz CAECQKMRTAYLLH-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2ccccc2F)c1F ZINC000320216410 970631776 /nfs/dbraw/zinc/63/17/76/970631776.db2.gz SJRRSJHNNJNGGK-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)c([O-])c2)C1 ZINC001605846889 972589621 /nfs/dbraw/zinc/58/96/21/972589621.db2.gz ATWQWNKLTJOOOE-JGVFFNPUSA-N -2 1 328.162 2.594 20 0 EFADML O=C([O-])[C@@]1(C(=O)Nc2cccc([O-])c2Br)CC=CCC1 ZINC001605942063 972888875 /nfs/dbraw/zinc/88/88/75/972888875.db2.gz HQTISVGXKWVLIH-AWEZNQCLSA-N -2 1 340.173 2.904 20 0 EFADML O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001606095277 973266092 /nfs/dbraw/zinc/26/60/92/973266092.db2.gz SVFDIABVMWHRCN-NSHDSACASA-N -2 1 329.352 2.578 20 0 EFADML C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC[C@@H]1C(=O)[O-] ZINC001603454616 973274221 /nfs/dbraw/zinc/27/42/21/973274221.db2.gz TWOZVYMWWWBAOL-WPRPVWTQSA-N -2 1 331.290 2.594 20 0 EFADML C[C@](CC(=O)[O-])(NC(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000687069589 976127711 /nfs/dbraw/zinc/12/77/11/976127711.db2.gz GGQUTQWUFYLRFP-CQSZACIVSA-N -2 1 342.189 2.528 20 0 EFADML C[C@@](CC(=O)[O-])(NC(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000687069585 976127995 /nfs/dbraw/zinc/12/79/95/976127995.db2.gz GGQUTQWUFYLRFP-AWEZNQCLSA-N -2 1 342.189 2.528 20 0 EFADML O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000694936257 976747332 /nfs/dbraw/zinc/74/73/32/976747332.db2.gz GZUOEIGMHFUVIN-ZCFIWIBFSA-N -2 1 342.225 2.507 20 0 EFADML O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000694936256 976747715 /nfs/dbraw/zinc/74/77/15/976747715.db2.gz GZUOEIGMHFUVIN-LURJTMIESA-N -2 1 342.225 2.507 20 0 EFADML CC(C)n1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001592131884 976972065 /nfs/dbraw/zinc/97/20/65/976972065.db2.gz SHBRYFUAHIHHQC-UHFFFAOYSA-N -2 1 343.792 2.616 20 0 EFADML C[C@@](CNC(=O)c1cc(Cl)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001592694246 979147499 /nfs/dbraw/zinc/14/74/99/979147499.db2.gz OVINEXDLCHUBDU-KRWDZBQOSA-N -2 1 333.771 2.818 20 0 EFADML CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC001595057107 979296787 /nfs/dbraw/zinc/29/67/87/979296787.db2.gz SRNIUSSEMICNKX-UHFFFAOYSA-N -2 1 337.800 2.791 20 0 EFADML CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001595435761 981066254 /nfs/dbraw/zinc/06/62/54/981066254.db2.gz MPHNTJUBYODXIQ-ONGXEEELSA-N -2 1 347.383 2.910 20 0 EFADML CCCCC[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)[O-] ZINC001595681266 982160696 /nfs/dbraw/zinc/16/06/96/982160696.db2.gz MTYJOICPYVLHQC-LLVKDONJSA-N -2 1 344.205 2.918 20 0 EFADML CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC001589611545 987465594 /nfs/dbraw/zinc/46/55/94/987465594.db2.gz OLLRODDJOCXTDO-VIFPVBQESA-N -2 1 327.327 2.633 20 0 EFADML CC(C)(C)c1cccc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1O ZINC001590812086 990643161 /nfs/dbraw/zinc/64/31/61/990643161.db2.gz GMUMLAULLPMNIL-UHFFFAOYSA-N -2 1 329.418 2.542 20 0 EFADML CC(C)CCOc1ccccc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001591266121 992177547 /nfs/dbraw/zinc/17/75/47/992177547.db2.gz SCPHQYWZFAXNFE-UHFFFAOYSA-N -2 1 343.445 2.964 20 0 EFADML C[C@@](NC(=O)c1ccc(Cl)cc1[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001593164087 994005402 /nfs/dbraw/zinc/00/54/02/994005402.db2.gz XUGVTUBAFMHVKR-INIZCTEOSA-N -2 1 337.734 2.915 20 0 EFADML C[C@H](NC(=O)c1ccc([O-])c(F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593172473 994036857 /nfs/dbraw/zinc/03/68/57/994036857.db2.gz NGRQMADGSYETJX-FZMZJTMJSA-N -2 1 331.343 2.593 20 0 EFADML C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)[C@]12C[C@H]1CCCC2 ZINC001593327371 994888468 /nfs/dbraw/zinc/88/84/68/994888468.db2.gz ZGHJNTBAHIALMU-QIBSRJKCSA-N -2 1 347.820 2.878 20 0 EFADML COc1cccc([O-])c1C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001599680271 994968354 /nfs/dbraw/zinc/96/83/54/994968354.db2.gz JFKFLDLQCPZUPI-VIFPVBQESA-N -2 1 349.314 2.644 20 0 EFADML C[C@@H](Oc1ccc(NC(=O)c2cccc([O-])c2F)cc1F)C(=O)[O-] ZINC001593634549 995926460 /nfs/dbraw/zinc/92/64/60/995926460.db2.gz UMWFQQGKPANCCR-MRVPVSSYSA-N -2 1 337.278 2.775 20 0 EFADML C[C@H](Oc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1F)C(=O)[O-] ZINC001593634684 995927518 /nfs/dbraw/zinc/92/75/18/995927518.db2.gz YCWMNDVOWRVIQC-QMMMGPOBSA-N -2 1 337.278 2.775 20 0 EFADML CC1(C)CC[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001593882535 996714366 /nfs/dbraw/zinc/71/43/66/996714366.db2.gz XFZHGAAOGKCREP-VIFPVBQESA-N -2 1 333.356 2.520 20 0 EFADML COCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1 ZINC001599294646 997117906 /nfs/dbraw/zinc/11/79/06/997117906.db2.gz IHMRENCUWIKWQB-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001594158086 998582907 /nfs/dbraw/zinc/58/29/07/998582907.db2.gz ZKIGPQWTKGNTCM-SCZZXKLOSA-N -2 1 334.759 2.529 20 0 EFADML CO[C@@H](CS(=O)(=O)[N-]c1c(C(=O)[O-])ccc2ccccc21)C1CC1 ZINC001599055714 999227955 /nfs/dbraw/zinc/22/79/55/999227955.db2.gz INOYYHWGKPLVRM-HNNXBMFYSA-N -2 1 349.408 2.705 20 0 EFADML O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC001649848987 1092737105 /nfs/dbraw/zinc/73/71/05/1092737105.db2.gz IQGCSFDLCGDSRI-UHFFFAOYSA-N -2 1 344.241 2.588 20 0 EFADML CC(C)(C)CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001589122548 1093036069 /nfs/dbraw/zinc/03/60/69/1093036069.db2.gz CHUCTFMRHDRGHI-SECBINFHSA-N -2 1 338.799 2.607 20 0 EFADML CC(C)(C)CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)[O-] ZINC001589122548 1093036076 /nfs/dbraw/zinc/03/60/76/1093036076.db2.gz CHUCTFMRHDRGHI-SECBINFHSA-N -2 1 338.799 2.607 20 0 EFADML O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccsc1-c1nnn[n-]1 ZINC001593238534 1094249850 /nfs/dbraw/zinc/24/98/50/1094249850.db2.gz APRGJOAAXXIUMB-UHFFFAOYSA-N -2 1 344.381 2.610 20 0 EFADML O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccsc1-c1nn[n-]n1 ZINC001593238534 1094249855 /nfs/dbraw/zinc/24/98/55/1094249855.db2.gz APRGJOAAXXIUMB-UHFFFAOYSA-N -2 1 344.381 2.610 20 0 EFADML Cc1c(C(=O)[O-])sc2[n-]c([C@H]3COc4ccccc4O3)nc(=O)c12 ZINC001600002494 1094711032 /nfs/dbraw/zinc/71/10/32/1094711032.db2.gz PTPSYQNUBVORLU-SNVBAGLBSA-N -2 1 344.348 2.504 20 0 EFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001600022863 1094727113 /nfs/dbraw/zinc/72/71/13/1094727113.db2.gz VXFFYASGTBBRIT-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001600071047 1094751598 /nfs/dbraw/zinc/75/15/98/1094751598.db2.gz OUBVUCYECGLIRM-JGVFFNPUSA-N -2 1 328.162 2.512 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)c1 ZINC001600186019 1094850966 /nfs/dbraw/zinc/85/09/66/1094850966.db2.gz NMVBHPIEFRRWJR-INIZCTEOSA-N -2 1 347.411 2.914 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC001600186025 1094851497 /nfs/dbraw/zinc/85/14/97/1094851497.db2.gz NSQQQGMCYGNQEB-YCPHGPKFSA-N -2 1 345.395 2.619 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC001600186024 1094851839 /nfs/dbraw/zinc/85/18/39/1094851839.db2.gz NSQQQGMCYGNQEB-OFQRWUPVSA-N -2 1 345.395 2.619 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001600185656 1094852450 /nfs/dbraw/zinc/85/24/50/1094852450.db2.gz LWSDBECXZGGSPS-OAHLLOKOSA-N -2 1 333.384 2.524 20 0 EFADML Cc1cc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])oc1C(=O)[O-] ZINC001600202401 1094873781 /nfs/dbraw/zinc/87/37/81/1094873781.db2.gz JRZDSDFWWHUBKG-UHFFFAOYSA-N -2 1 341.319 2.781 20 0 EFADML Cc1ccc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1F ZINC001600421801 1095053540 /nfs/dbraw/zinc/05/35/40/1095053540.db2.gz GXHGHEAJAIHGLR-UHFFFAOYSA-N -2 1 329.374 2.836 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2N(C)C)cc1C ZINC001600482726 1095098373 /nfs/dbraw/zinc/09/83/73/1095098373.db2.gz DYEFGXCLPNXDHU-UHFFFAOYSA-N -2 1 348.424 2.868 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(C(=O)[O-])c1 ZINC001600483286 1095099948 /nfs/dbraw/zinc/09/99/48/1095099948.db2.gz WCKFTXZQXWPOSI-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1ccccc1S(=O)(=O)[N-]c1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001600588355 1095191465 /nfs/dbraw/zinc/19/14/65/1095191465.db2.gz SHAGPWJFUGKFLB-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML Cn1cc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)cc1C(=O)[O-] ZINC001600954066 1095444983 /nfs/dbraw/zinc/44/49/83/1095444983.db2.gz CIUGQDCLSBOZBG-ZDUSSCGKSA-N -2 1 336.775 2.682 20 0 EFADML Nc1c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cccc1C(=O)[O-] ZINC001601210125 1095555110 /nfs/dbraw/zinc/55/51/10/1095555110.db2.gz YJARZUOSWONMOY-UHFFFAOYSA-N -2 1 344.751 2.560 20 0 EFADML O=C([O-])c1cn(CC(=O)Nc2ccc([O-])c(F)c2F)c2ccccc12 ZINC001601379891 1095647880 /nfs/dbraw/zinc/64/78/80/1095647880.db2.gz HCEUQVMJIUBAOR-UHFFFAOYSA-N -2 1 346.289 2.962 20 0 EFADML O=C([O-])[C@H](Cc1cc2ccccc2o1)NC(=O)c1cc(F)ccc1[O-] ZINC001601423509 1095668219 /nfs/dbraw/zinc/66/82/19/1095668219.db2.gz XNHPUBDFUOYKJQ-AWEZNQCLSA-N -2 1 343.310 2.703 20 0 EFADML O=C([O-])c1cc2c(cc1NC(=O)c1ccccc1[O-])OCCCO2 ZINC001601593356 1095748609 /nfs/dbraw/zinc/74/86/09/1095748609.db2.gz ASBRGOXNSLOSPP-UHFFFAOYSA-N -2 1 329.308 2.504 20 0 EFADML O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)C1CCCCC1 ZINC001601655554 1095787148 /nfs/dbraw/zinc/78/71/48/1095787148.db2.gz PWNWVCAKBCLIDK-LLVKDONJSA-N -2 1 347.383 2.524 20 0 EFADML O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C1CCCCC1 ZINC001601679144 1095811661 /nfs/dbraw/zinc/81/16/61/1095811661.db2.gz NYZFZIAOTWHHDS-CYBMUJFWSA-N -2 1 349.811 2.791 20 0 EFADML O=C([O-])[C@@]1(C(=O)NCc2ccc([O-])c(Cl)c2)C[C@@H]1c1ccccc1 ZINC001601701296 1095842242 /nfs/dbraw/zinc/84/22/42/1095842242.db2.gz KOTULENXUGFVKP-ACJLOTCBSA-N -2 1 345.782 2.920 20 0 EFADML O=C([O-])/C=C/c1ccc(OCCOC(=O)c2ccc([O-])cc2F)cc1 ZINC001601880770 1095954161 /nfs/dbraw/zinc/95/41/61/1095954161.db2.gz AZAQECZGOGZUGD-FPYGCLRLSA-N -2 1 346.310 2.865 20 0 EFADML O=C([O-])Cc1c[n-]n(-c2ccc(Br)cc2Cl)c1=O ZINC001601940645 1095985481 /nfs/dbraw/zinc/98/54/81/1095985481.db2.gz MHHKJBAPSCLDIO-ZCFIWIBFSA-N -2 1 331.553 2.526 20 0 EFADML O=C([O-])CCc1ccc(O)c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001602041158 1096032274 /nfs/dbraw/zinc/03/22/74/1096032274.db2.gz ABXJADODMLYKEO-UHFFFAOYSA-N -2 1 337.278 2.646 20 0 EFADML O=C([O-])COc1ccc(NC(=O)c2ccc([O-])cn2)c2ccccc12 ZINC001602087112 1096054413 /nfs/dbraw/zinc/05/44/13/1096054413.db2.gz QSCFBLZVEWOMSQ-UHFFFAOYSA-N -2 1 338.319 2.656 20 0 EFADML O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc(F)c([O-])c1 ZINC001602174830 1096102732 /nfs/dbraw/zinc/10/27/32/1096102732.db2.gz UXOUJFOOIDHRGL-GJZGRUSLSA-N -2 1 329.327 2.962 20 0 EFADML O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1 ZINC001602264398 1096148408 /nfs/dbraw/zinc/14/84/08/1096148408.db2.gz LHSCRCDHCSELPL-UHFFFAOYSA-N -2 1 347.179 2.887 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]C23CCC(CC2)CC3)c1F ZINC001602273072 1096153144 /nfs/dbraw/zinc/15/31/44/1096153144.db2.gz GDWBYYXCRAJUJA-UHFFFAOYSA-N -2 1 345.367 2.664 20 0 EFADML O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001602277590 1096156288 /nfs/dbraw/zinc/15/62/88/1096156288.db2.gz XDRIKQUOZSJKFX-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1ccc(COC(=O)c2c([O-])cc(F)cc2F)c(F)c1 ZINC001602353455 1096199711 /nfs/dbraw/zinc/19/97/11/1096199711.db2.gz JEPARFPUXSBVKU-UHFFFAOYSA-N -2 1 326.226 2.865 20 0 EFADML O=C([O-])c1ccc(CS(=O)(=O)[N-]c2nccc3sccc32)cc1 ZINC001602357127 1096201972 /nfs/dbraw/zinc/20/19/72/1096201972.db2.gz LEAKHIROQKWHDB-UHFFFAOYSA-N -2 1 348.405 2.936 20 0 EFADML O=C([O-])c1cccc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001602436912 1096244925 /nfs/dbraw/zinc/24/49/25/1096244925.db2.gz ZSAXKVRBRAUGGU-UHFFFAOYSA-N -2 1 329.327 2.780 20 0 EFADML O=C([O-])c1cnc(CNC(=O)c2ccc3ccccc3c2[O-])s1 ZINC001602522465 1096280067 /nfs/dbraw/zinc/28/00/67/1096280067.db2.gz HQLUNQIWDPWLJM-UHFFFAOYSA-N -2 1 328.349 2.630 20 0 EFADML O=C([O-])c1sccc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001602597349 1096313874 /nfs/dbraw/zinc/31/38/74/1096313874.db2.gz PDOXVXQBAXXTQH-UHFFFAOYSA-N -2 1 333.774 2.606 20 0 EFADML C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2sccc2C(=O)[O-])c1 ZINC001602801634 1096372496 /nfs/dbraw/zinc/37/24/96/1096372496.db2.gz RSHITMSIXUQREA-UHFFFAOYSA-N -2 1 332.337 2.529 20 0 EFADML CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001603337590 1096508844 /nfs/dbraw/zinc/50/88/44/1096508844.db2.gz MZXGIWBPQPJRKK-IONNQARKSA-N -2 1 335.809 2.734 20 0 EFADML CC(C)([N-]C(=O)C(F)(F)c1ccccc1F)c1nocc1C(=O)[O-] ZINC001603668328 1096585943 /nfs/dbraw/zinc/58/59/43/1096585943.db2.gz CIUUNPSTINAYCY-UHFFFAOYSA-N -2 1 342.273 2.655 20 0 EFADML CC(C)c1cccnc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001604010151 1096696525 /nfs/dbraw/zinc/69/65/25/1096696525.db2.gz FHIXTFSIVSUUJO-UHFFFAOYSA-N -2 1 334.397 2.845 20 0 EFADML C[C@@]1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC001604590091 1096909859 /nfs/dbraw/zinc/90/98/59/1096909859.db2.gz NTPNRKOKLWQYED-MEDUHNTESA-N -2 1 325.792 2.738 20 0 EFADML C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001604715158 1096938751 /nfs/dbraw/zinc/93/87/51/1096938751.db2.gz HPZSENLIUCMGTQ-IUCAKERBSA-N -2 1 335.809 2.736 20 0 EFADML C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CC1 ZINC001604714791 1096939066 /nfs/dbraw/zinc/93/90/66/1096939066.db2.gz BDFYZIKMWSNGRL-MWLCHTKSSA-N -2 1 347.383 2.910 20 0 EFADML CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001604901542 1096978232 /nfs/dbraw/zinc/97/82/32/1096978232.db2.gz ISOBGKXARHOSDV-SFHVURJKSA-N -2 1 345.351 2.838 20 0 EFADML CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC001605885149 1097265243 /nfs/dbraw/zinc/26/52/43/1097265243.db2.gz LAVXAKZDSMLTDE-UHFFFAOYSA-N -2 1 327.333 2.789 20 0 EFADML CC(C)(C)c1nccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167931681 1097315458 /nfs/dbraw/zinc/31/54/58/1097315458.db2.gz IALVCTJXBAWUOD-UHFFFAOYSA-N -2 1 347.355 2.859 20 0 EFADML CC(C)(C)c1nccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1 ZINC001167931681 1097315467 /nfs/dbraw/zinc/31/54/67/1097315467.db2.gz IALVCTJXBAWUOD-UHFFFAOYSA-N -2 1 347.355 2.859 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3cnoc3c2)Cc2ccccc2C1 ZINC001167935821 1097348717 /nfs/dbraw/zinc/34/87/17/1097348717.db2.gz CVKJXJUEBQKKFF-UHFFFAOYSA-N -2 1 330.280 2.913 20 0 EFADML CCOc1cc(C)c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cn1 ZINC001167937100 1097363674 /nfs/dbraw/zinc/36/36/74/1097363674.db2.gz RCLYHEYHONUQKN-UHFFFAOYSA-N -2 1 348.339 2.873 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3cnccc3n2)Cc2ccccc2C1 ZINC001167937227 1097363834 /nfs/dbraw/zinc/36/38/34/1097363834.db2.gz AQCXEZJSYUUMCI-UHFFFAOYSA-N -2 1 341.307 2.715 20 0 EFADML O=P([O-])([O-])C1(Nc2cnc3[nH]cc(F)c3c2)Cc2ccccc2C1 ZINC001167937246 1097364866 /nfs/dbraw/zinc/36/48/66/1097364866.db2.gz VDOMFZKWUZPHLE-UHFFFAOYSA-N -2 1 347.286 2.787 20 0 EFADML O=C([O-])c1ccnc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001606532024 1097414933 /nfs/dbraw/zinc/41/49/33/1097414933.db2.gz TZFHXAHCNKKXEI-UHFFFAOYSA-N -2 1 326.230 2.757 20 0 EFADML COC(=O)c1c[n-]c(SCc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001606532845 1097415239 /nfs/dbraw/zinc/41/52/39/1097415239.db2.gz UUAUVUJPBXTBLQ-UHFFFAOYSA-N -2 1 326.761 2.840 20 0 EFADML COc1c(NC(=O)Cc2ccc([O-])c(Cl)c2)cccc1C(=O)[O-] ZINC001607029564 1097498383 /nfs/dbraw/zinc/49/83/83/1097498383.db2.gz KEWSSZDMFKTGMR-UHFFFAOYSA-N -2 1 335.743 2.934 20 0 EFADML Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cccc1N(C)C ZINC001607554037 1097660259 /nfs/dbraw/zinc/66/02/59/1097660259.db2.gz ILZHGYJZRBPIGW-UHFFFAOYSA-N -2 1 334.397 2.560 20 0 EFADML Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001607617794 1097678785 /nfs/dbraw/zinc/67/87/85/1097678785.db2.gz MIWADKVXHVIMQO-UHFFFAOYSA-N -2 1 342.380 2.585 20 0 EFADML Cc1cc(C=O)c([O-])c(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1 ZINC001607633670 1097683913 /nfs/dbraw/zinc/68/39/13/1097683913.db2.gz RDJHRJQSZBJISS-UHFFFAOYSA-N -2 1 335.400 2.722 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CC[C@H](C)CC2)c(F)c1 ZINC001607661379 1097692315 /nfs/dbraw/zinc/69/23/15/1097692315.db2.gz BRWDCNVPNCVXBA-AZKDTHOKSA-N -2 1 347.383 2.585 20 0 EFADML Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC001607740224 1097716193 /nfs/dbraw/zinc/71/61/93/1097716193.db2.gz WZWVAVLZSJPTLY-JTQLQIEISA-N -2 1 347.396 2.617 20 0 EFADML Cc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1C(=O)[O-] ZINC001607805462 1097739216 /nfs/dbraw/zinc/73/92/16/1097739216.db2.gz MTXGOUCUXXZBMC-UHFFFAOYSA-N -2 1 349.346 2.900 20 0 EFADML Cc1cccc(C[C@H](CNC(=O)c2ccc([O-])c(F)c2)C(=O)[O-])c1 ZINC001607850155 1097753133 /nfs/dbraw/zinc/75/31/33/1097753133.db2.gz WDQDCFMBWRRNJX-CQSZACIVSA-N -2 1 331.343 2.513 20 0 EFADML Cc1oc(C)c(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1C(=O)[O-] ZINC001608043400 1097814422 /nfs/dbraw/zinc/81/44/22/1097814422.db2.gz QLXIFCWETRFOBY-UHFFFAOYSA-N -2 1 345.760 2.754 20 0 EFADML O=C([O-])[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc2c(c1)CCO2 ZINC001608386930 1097908352 /nfs/dbraw/zinc/90/83/52/1097908352.db2.gz ZZRZHHBCBHDJBM-HNNXBMFYSA-N -2 1 347.754 2.536 20 0 EFADML O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC001608517342 1097938966 /nfs/dbraw/zinc/93/89/66/1097938966.db2.gz UCVYNDLTUXMNBQ-DTWKUNHWSA-N -2 1 342.189 2.984 20 0 EFADML O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2cc1[O-] ZINC001608598623 1097964375 /nfs/dbraw/zinc/96/43/75/1097964375.db2.gz BVVQGSNYAZVFHO-KEYYUXOJSA-N -2 1 325.364 2.871 20 0 EFADML O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCC1 ZINC001608680256 1097988440 /nfs/dbraw/zinc/98/84/40/1097988440.db2.gz SPDDYXWEBJMOKW-UHFFFAOYSA-N -2 1 337.344 2.531 20 0 EFADML O=C([O-])CC1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCCC1 ZINC001608689412 1097991232 /nfs/dbraw/zinc/99/12/32/1097991232.db2.gz VKLWXBQKTVSSKE-UHFFFAOYSA-N -2 1 335.784 2.545 20 0 EFADML O=C([O-])CCCCOC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001608713698 1097998793 /nfs/dbraw/zinc/99/87/93/1097998793.db2.gz YVDBMYIVPQKODO-UHFFFAOYSA-N -2 1 338.747 2.643 20 0 EFADML O=C([O-])CCCc1csc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC001608718880 1098000414 /nfs/dbraw/zinc/00/04/14/1098000414.db2.gz FFMCZKYJAUSAFV-UHFFFAOYSA-N -2 1 342.323 2.787 20 0 EFADML O=C([O-])CN(CCC(F)(F)F)C(=O)c1cc(Cl)ccc1[O-] ZINC001608745191 1098009009 /nfs/dbraw/zinc/00/90/09/1098009009.db2.gz SYRKCPDYHCYNLL-UHFFFAOYSA-N -2 1 325.670 2.525 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1C1CC1 ZINC001608808110 1098028920 /nfs/dbraw/zinc/02/89/20/1098028920.db2.gz WMXQKVPYFHSDRR-JKSUJKDBSA-N -2 1 325.364 2.728 20 0 EFADML O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CCCC(F)F)c1F ZINC001608846495 1098043572 /nfs/dbraw/zinc/04/35/72/1098043572.db2.gz DYLXZJBAJGZCPR-UHFFFAOYSA-N -2 1 345.726 2.501 20 0 EFADML O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC001608851973 1098045261 /nfs/dbraw/zinc/04/52/61/1098045261.db2.gz VAHDZFGARWCADL-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]CC2(C3CCC3)CCC2)oc1Cl ZINC001608861291 1098047578 /nfs/dbraw/zinc/04/75/78/1098047578.db2.gz ZXIJYNBXLUUTOY-UHFFFAOYSA-N -2 1 347.820 2.880 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)oc1Cl ZINC001608860340 1098047739 /nfs/dbraw/zinc/04/77/39/1098047739.db2.gz GJLDFFLFJDHLHM-KOLCDFICSA-N -2 1 347.820 2.878 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cn1 ZINC001608913457 1098069490 /nfs/dbraw/zinc/06/94/90/1098069490.db2.gz QGCSXFNGCNGYBF-UHFFFAOYSA-N -2 1 336.344 2.597 20 0 EFADML O=C([O-])c1ccnc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1 ZINC001608953534 1098088905 /nfs/dbraw/zinc/08/89/05/1098088905.db2.gz BSRIPEXVZYKYKU-UHFFFAOYSA-N -2 1 344.751 2.514 20 0 EFADML O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC001609027696 1098117328 /nfs/dbraw/zinc/11/73/28/1098117328.db2.gz MUJIHOLHWUPEOT-GOSISDBHSA-N -2 1 345.782 2.914 20 0 EFADML CCCCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609211695 1098205109 /nfs/dbraw/zinc/20/51/09/1098205109.db2.gz WKKZHJBCGWGHPR-UHFFFAOYSA-N -2 1 347.400 2.603 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1 ZINC001609630083 1098410090 /nfs/dbraw/zinc/41/00/90/1098410090.db2.gz KQVWABGJFBROEF-UHFFFAOYSA-N -2 1 337.328 2.527 20 0 EFADML CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Br)cc1[O-] ZINC001609701588 1098431487 /nfs/dbraw/zinc/43/14/87/1098431487.db2.gz VOMFXKIQYABECH-NSHDSACASA-N -2 1 344.205 2.726 20 0 EFADML C[C@](CC(=O)[O-])(NC(=O)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC001609728135 1098439492 /nfs/dbraw/zinc/43/94/92/1098439492.db2.gz COJIKJBXHJTQMG-MRXNPFEDSA-N -2 1 334.759 2.561 20 0 EFADML C[C@](CC(=O)[O-])(NC(=O)c1c([O-])cccc1Cl)c1ccncc1 ZINC001609729343 1098440404 /nfs/dbraw/zinc/44/04/04/1098440404.db2.gz RGEWZPBXHRZTQG-MRXNPFEDSA-N -2 1 334.759 2.561 20 0 EFADML C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001609810547 1098466059 /nfs/dbraw/zinc/46/60/59/1098466059.db2.gz TURXIICOZGCFNL-AWEZNQCLSA-N -2 1 331.290 2.738 20 0 EFADML C[C@@]1([N-]S(=O)(=O)c2sccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001609825174 1098469546 /nfs/dbraw/zinc/46/95/46/1098469546.db2.gz QWAHLDCGZZWOPU-PRHODGIISA-N -2 1 337.850 2.713 20 0 EFADML CC[C@@H](C(=O)[O-])C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC001609886206 1098485355 /nfs/dbraw/zinc/48/53/55/1098485355.db2.gz FZBDHIPAPAJRSU-ZCFIWIBFSA-N -2 1 336.569 2.857 20 0 EFADML CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC001610057900 1098532727 /nfs/dbraw/zinc/53/27/27/1098532727.db2.gz FKMZJNHHOSMTCH-VIFPVBQESA-N -2 1 349.412 2.751 20 0 EFADML CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610058191 1098533847 /nfs/dbraw/zinc/53/38/47/1098533847.db2.gz BTOQNVVTOQNHFS-UHFFFAOYSA-N -2 1 336.413 2.947 20 0 EFADML CCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001610066498 1098536709 /nfs/dbraw/zinc/53/67/09/1098536709.db2.gz XOWUZCUPXWSNDE-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML COc1ccc(C(=O)Nc2cccnc2SCCC(=O)[O-])c([O-])c1 ZINC001610314787 1098616576 /nfs/dbraw/zinc/61/65/76/1098616576.db2.gz PFCRXHSCZQPVIY-UHFFFAOYSA-N -2 1 348.380 2.615 20 0 EFADML Cc1[nH]c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)c1C(=O)[O-] ZINC001610402449 1098658277 /nfs/dbraw/zinc/65/82/77/1098658277.db2.gz VFAMISREENMYEW-UHFFFAOYSA-N -2 1 340.339 2.678 20 0 EFADML Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001610542840 1098743898 /nfs/dbraw/zinc/74/38/98/1098743898.db2.gz IXZMDXCEOXSIQX-UHFFFAOYSA-N -2 1 341.323 2.563 20 0 EFADML O=C([O-])c1cc(C(=O)Nc2ccc(Br)c([O-])c2)ccn1 ZINC001610704917 1098837343 /nfs/dbraw/zinc/83/73/43/1098837343.db2.gz FIDSPEXIXMNSSV-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML O=C([O-])CCCOc1ccc(CNC(=O)c2c([O-])cccc2F)cc1 ZINC001610770603 1098877027 /nfs/dbraw/zinc/87/70/27/1098877027.db2.gz VTRTYUXVHJEOFA-UHFFFAOYSA-N -2 1 347.342 2.705 20 0 EFADML O=C([O-])Cc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1 ZINC001610793038 1098891470 /nfs/dbraw/zinc/89/14/70/1098891470.db2.gz CLSZUIXACXSJOU-UHFFFAOYSA-N -2 1 349.346 2.520 20 0 EFADML O=C([O-])Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001610796224 1098895093 /nfs/dbraw/zinc/89/50/93/1098895093.db2.gz DKRZWFGNSXLOBG-UHFFFAOYSA-N -2 1 340.257 2.685 20 0 EFADML O=C([O-])c1cccc(CS(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC001610847224 1098932637 /nfs/dbraw/zinc/93/26/37/1098932637.db2.gz FSDMUYHERWKBFS-UHFFFAOYSA-N -2 1 342.376 2.875 20 0 EFADML CSc1ccc([O-])c(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1 ZINC001636206122 1100707432 /nfs/dbraw/zinc/70/74/32/1100707432.db2.gz PTVRCOFYPQIPTJ-UHFFFAOYSA-N -2 1 342.380 2.857 20 0 EFADML Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC001211965141 1104750335 /nfs/dbraw/zinc/75/03/35/1104750335.db2.gz QGAFJMYVERXDOE-UHFFFAOYSA-N -2 1 340.788 2.730 20 0 EFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC000081297985 1104784790 /nfs/dbraw/zinc/78/47/90/1104784790.db2.gz UHAVWIDVNKRERG-UHFFFAOYSA-N -2 1 330.365 2.560 20 0 EFADML Cc1ccc(-c2cc(=NC(=O)c3cc4c(cc3[O-])OCO4)[nH][n-]2)s1 ZINC000436733252 1108489196 /nfs/dbraw/zinc/48/91/96/1108489196.db2.gz VBJNCPDVDQUNEY-UHFFFAOYSA-N -2 1 343.364 2.555 20 0 EFADML O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc(F)c3)c1)CCC2 ZINC000055548052 214329409 /nfs/dbraw/zinc/32/94/09/214329409.db2.gz QMNQVEZQUQDJCC-UHFFFAOYSA-N -2 1 335.356 2.813 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1C(=O)[O-] ZINC000058358134 214561616 /nfs/dbraw/zinc/56/16/16/214561616.db2.gz WTNFTCAATGVEOB-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML C[C@@H](CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000229517795 242170745 /nfs/dbraw/zinc/17/07/45/242170745.db2.gz FNHWEAZDNUGKGT-LURJTMIESA-N -2 1 346.257 2.834 20 0 EFADML O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1cc3ccccc3cc1[O-])C2 ZINC000263226842 304167710 /nfs/dbraw/zinc/16/77/10/304167710.db2.gz ANADQXQNTOFUPD-IFXJQAMLSA-N -2 1 325.364 2.872 20 0 EFADML CCOc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc(Cl)c1[O-] ZINC000424251043 246706822 /nfs/dbraw/zinc/70/68/22/246706822.db2.gz PSVXCBYNQSESIJ-LLVKDONJSA-N -2 1 343.807 2.921 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1F ZINC000427313726 247336748 /nfs/dbraw/zinc/33/67/48/247336748.db2.gz KLQKJSREEPGYGG-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433515521 248068525 /nfs/dbraw/zinc/06/85/25/248068525.db2.gz CETFNBLLPBHRDO-UHFFFAOYSA-N -2 1 335.381 2.844 20 0 EFADML Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000436646481 249562562 /nfs/dbraw/zinc/56/25/62/249562562.db2.gz GXGBCSPCRKXSFF-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000444421451 250300002 /nfs/dbraw/zinc/30/00/02/250300002.db2.gz UREUNOXRJRIOHV-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000005134914 210395896 /nfs/dbraw/zinc/39/58/96/210395896.db2.gz OUXOIXRAKVLEMO-UHFFFAOYSA-N -2 1 341.335 2.783 20 0 EFADML CCOc1cc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000263395867 141390388 /nfs/dbraw/zinc/39/03/88/141390388.db2.gz ZIBKTTJKIJVKFQ-KOLCDFICSA-N -2 1 341.791 2.627 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1F ZINC000323804697 141496674 /nfs/dbraw/zinc/49/66/74/141496674.db2.gz MDSPJXKAWALQFN-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1cc(C(=O)NCC[C@H]2CCCC[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000346203283 142166396 /nfs/dbraw/zinc/16/63/96/142166396.db2.gz UJTWBFYEPINXOI-ZYHUDNBSSA-N -2 1 344.415 2.691 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(C(=O)[O-])c1 ZINC000349964826 142384364 /nfs/dbraw/zinc/38/43/64/142384364.db2.gz QUDIJVNBLCWNFT-UHFFFAOYSA-N -2 1 349.364 2.531 20 0 EFADML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000350728970 146084042 /nfs/dbraw/zinc/08/40/42/146084042.db2.gz HDYWIQCEBVHMPG-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000356749958 147326808 /nfs/dbraw/zinc/32/68/08/147326808.db2.gz ZETOMOGHHYPTIA-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)cc21 ZINC000357065444 147414532 /nfs/dbraw/zinc/41/45/32/147414532.db2.gz AOTCFWRHDZCHJZ-UHFFFAOYSA-N -2 1 344.392 2.606 20 0 EFADML Cn1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1C(=O)[O-] ZINC000359558170 148122463 /nfs/dbraw/zinc/12/24/63/148122463.db2.gz FQFYGXDNJAYMEQ-UHFFFAOYSA-N -2 1 334.397 2.792 20 0 EFADML CSc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000360498452 148376166 /nfs/dbraw/zinc/37/61/66/148376166.db2.gz BHSFLEXJBFODHM-UHFFFAOYSA-N -2 1 339.394 2.613 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(C)c1O ZINC000362305294 148796290 /nfs/dbraw/zinc/79/62/90/148796290.db2.gz LYSQCXGDDYAPTH-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1O ZINC000013464527 264587452 /nfs/dbraw/zinc/58/74/52/264587452.db2.gz UFVVESSRWNFUOR-UHFFFAOYSA-N -2 1 347.392 2.770 20 0 EFADML CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)[O-] ZINC000274953536 273135130 /nfs/dbraw/zinc/13/51/30/273135130.db2.gz TVUNVVVYZDXEIQ-QMMMGPOBSA-N -2 1 345.726 2.500 20 0 EFADML COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000274958104 273135567 /nfs/dbraw/zinc/13/55/67/273135567.db2.gz HHFBTJDJZSNMFB-UHFFFAOYSA-N -2 1 343.445 2.890 20 0 EFADML COC(=O)C1(CS(=O)(=O)[N-]c2ccc(Cl)cc2[O-])CCCC1 ZINC000290522694 294110843 /nfs/dbraw/zinc/11/08/43/294110843.db2.gz NCQFYJHDORTFQY-UHFFFAOYSA-N -2 1 347.820 2.521 20 0 EFADML Cc1cc(C(=O)N(CC(C)C)C2CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266823863 301082113 /nfs/dbraw/zinc/08/21/13/301082113.db2.gz IQFCLETZCJPNQX-UHFFFAOYSA-N -2 1 344.415 2.785 20 0 EFADML Cc1cc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000362141016 301133094 /nfs/dbraw/zinc/13/30/94/301133094.db2.gz VGUBMMSVKULSRV-JLLWLGSASA-N -2 1 344.415 2.547 20 0 EFADML Cc1cc(C(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000362141015 301133206 /nfs/dbraw/zinc/13/32/06/301133206.db2.gz VGUBMMSVKULSRV-DLOVCJGASA-N -2 1 344.415 2.547 20 0 EFADML COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000325185503 311242833 /nfs/dbraw/zinc/24/28/33/311242833.db2.gz CSTFXNIHZNMQCV-GFCCVEGCSA-N -2 1 349.408 2.939 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000391210482 311952438 /nfs/dbraw/zinc/95/24/38/311952438.db2.gz PJOZIBJXVPCOJN-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML CCC[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(C)(C)C ZINC000456111808 313030170 /nfs/dbraw/zinc/03/01/70/313030170.db2.gz LITCZLIQMAPOBG-NSHDSACASA-N -2 1 332.404 2.689 20 0 EFADML C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000520352684 315949240 /nfs/dbraw/zinc/94/92/40/315949240.db2.gz WGKQTKFLSORIRO-JOYOIKCWSA-N -2 1 337.850 2.713 20 0 EFADML CC(C)[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000520576556 315967070 /nfs/dbraw/zinc/96/70/70/315967070.db2.gz KGHUOPRHNFUABW-HNNXBMFYSA-N -2 1 325.386 2.601 20 0 EFADML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000531364935 317255716 /nfs/dbraw/zinc/25/57/16/317255716.db2.gz MOILMMCNRBLESH-UHFFFAOYSA-N -2 1 347.392 2.951 20 0 EFADML COc1ccccc1S(=O)(=O)[N-]c1c(F)ccc(C)c1C(=O)[O-] ZINC000532024897 317343982 /nfs/dbraw/zinc/34/39/82/317343982.db2.gz CJLRHLUSCWZZBX-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CC1([C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C(=O)[O-])CCCCC1 ZINC000547702015 318031681 /nfs/dbraw/zinc/03/16/81/318031681.db2.gz RZNKBXURLJIQEF-ZDUSSCGKSA-N -2 1 347.383 2.667 20 0 EFADML CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)CC(=O)[O-] ZINC000547872356 318050664 /nfs/dbraw/zinc/05/06/64/318050664.db2.gz DOVMWLPJDSWUJH-LBPRGKRZSA-N -2 1 339.413 2.848 20 0 EFADML CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000547935068 318053636 /nfs/dbraw/zinc/05/36/36/318053636.db2.gz QLJXNNJJGSXYJH-YPMHNXCESA-N -2 1 339.413 2.991 20 0 EFADML O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000548259796 318086902 /nfs/dbraw/zinc/08/69/02/318086902.db2.gz BCQSPMCOCAPJLM-PWSUYJOCSA-N -2 1 347.383 2.667 20 0 EFADML C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1F ZINC000548265331 318087273 /nfs/dbraw/zinc/08/72/73/318087273.db2.gz AGODBSJYKNKPIT-VHSXEESVSA-N -2 1 335.372 2.523 20 0 EFADML O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc(F)c2F)c1F ZINC000548544864 318118797 /nfs/dbraw/zinc/11/87/97/318118797.db2.gz XOZAAIGRALWYLM-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2cc3ccccc3o2)(C(=O)[O-])C1 ZINC000548771120 318142268 /nfs/dbraw/zinc/14/22/68/318142268.db2.gz UWWBUIXYNMAQKZ-ZBEGNZNMSA-N -2 1 337.397 2.745 20 0 EFADML CC1CCC([N-]S(=O)(=O)c2cc3ccccc3o2)(C(=O)[O-])CC1 ZINC000548837417 318148916 /nfs/dbraw/zinc/14/89/16/318148916.db2.gz NQUXSOFCVWPKFI-UHFFFAOYSA-N -2 1 337.397 2.745 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)cc1 ZINC000555127903 318346220 /nfs/dbraw/zinc/34/62/20/318346220.db2.gz XGGMOVZRHTVGNU-UHFFFAOYSA-N -2 1 345.376 2.705 20 0 EFADML CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl ZINC000560481094 318557421 /nfs/dbraw/zinc/55/74/21/318557421.db2.gz HKYWFECZPHZBAQ-MRVPVSSYSA-N -2 1 325.839 2.569 20 0 EFADML C[C@H](CC(C)(C)[N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000565936598 319016096 /nfs/dbraw/zinc/01/60/96/319016096.db2.gz MCFFOZLQORQTEQ-SSDOTTSWSA-N -2 1 325.839 2.569 20 0 EFADML C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000566314098 319061766 /nfs/dbraw/zinc/06/17/66/319061766.db2.gz ZPTQKDVTIFRVDW-OCCSQVGLSA-N -2 1 349.811 2.791 20 0 EFADML CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000569367972 319374599 /nfs/dbraw/zinc/37/45/99/319374599.db2.gz VFRUNNHPTIUNGI-NSHDSACASA-N -2 1 337.800 2.647 20 0 EFADML C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl ZINC000569443712 319380687 /nfs/dbraw/zinc/38/06/87/319380687.db2.gz QAOMWVODOOLBKA-QMMMGPOBSA-N -2 1 325.839 2.713 20 0 EFADML O=C([N-]c1nnc(C(F)F)s1)c1cc(F)c(F)c([O-])c1F ZINC000185441336 323390755 /nfs/dbraw/zinc/39/07/55/323390755.db2.gz SOZMFQSLLWNSPU-UHFFFAOYSA-N -2 1 325.218 2.851 20 0 EFADML O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000296833286 323642431 /nfs/dbraw/zinc/64/24/31/323642431.db2.gz RBTBVGNMOHYWSL-DJJJIMSYSA-N -2 1 325.364 2.872 20 0 EFADML O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1c(F)ccc([O-])c1F ZINC000582149685 324530005 /nfs/dbraw/zinc/53/00/05/324530005.db2.gz WMCPPBNVXRFCRH-UHFFFAOYSA-N -2 1 347.346 2.787 20 0 EFADML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000003196178 471435104 /nfs/dbraw/zinc/43/51/04/471435104.db2.gz FSQTVTXQEBAIQU-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000003269785 471439688 /nfs/dbraw/zinc/43/96/88/471439688.db2.gz HVIYRHWCFWPQPU-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068075657 472130285 /nfs/dbraw/zinc/13/02/85/472130285.db2.gz CNSKPYMFMVFDOF-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML COCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000026547418 472142094 /nfs/dbraw/zinc/14/20/94/472142094.db2.gz VKDVJFKOOYJFFS-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000087496652 472341459 /nfs/dbraw/zinc/34/14/59/472341459.db2.gz JTLREYOHJSPPAU-ZCFIWIBFSA-N -2 1 346.257 2.690 20 0 EFADML COc1c(C)ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000031722689 472390382 /nfs/dbraw/zinc/39/03/82/472390382.db2.gz QUQQXJYDLPEUPJ-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000097063413 472432329 /nfs/dbraw/zinc/43/23/29/472432329.db2.gz AEXMXLILZYMNHH-RITPCOANSA-N -2 1 344.241 2.587 20 0 EFADML NC(=O)c1cc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)ccc1[O-] ZINC000058474363 472573780 /nfs/dbraw/zinc/57/37/80/472573780.db2.gz YYPSKPIOFOJSLL-UHFFFAOYSA-N -2 1 340.360 2.980 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000078001631 472650723 /nfs/dbraw/zinc/65/07/23/472650723.db2.gz DJCFZCWDZWWVJF-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000060554438 472667614 /nfs/dbraw/zinc/66/76/14/472667614.db2.gz JYFJMJJVSWBJSV-UHFFFAOYSA-N -2 1 336.756 2.711 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1C ZINC000060707141 472674997 /nfs/dbraw/zinc/67/49/97/472674997.db2.gz BNUMYAWQRDUOHN-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000156311215 472691264 /nfs/dbraw/zinc/69/12/64/472691264.db2.gz VKDVTIPONGLYMZ-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000078712017 472756992 /nfs/dbraw/zinc/75/69/92/472756992.db2.gz PAYKUGPYSMVULR-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000073353678 472801020 /nfs/dbraw/zinc/80/10/20/472801020.db2.gz QQIUGOWSQYZCSW-UHFFFAOYSA-N -2 1 330.365 2.674 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000063878466 472824091 /nfs/dbraw/zinc/82/40/91/472824091.db2.gz TVNSCEYVUUCWAF-UHFFFAOYSA-N -2 1 344.392 2.928 20 0 EFADML O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000111278838 473202626 /nfs/dbraw/zinc/20/26/26/473202626.db2.gz YTGQGVQNRPKPRG-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML CCOc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000263471906 473758196 /nfs/dbraw/zinc/75/81/96/473758196.db2.gz YCZUEGSMDVRWQV-LLVKDONJSA-N -2 1 327.764 2.524 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)c(C)c1C(=O)[O-] ZINC000193357722 473783419 /nfs/dbraw/zinc/78/34/19/473783419.db2.gz KDCZMGGBVGCBQN-UHFFFAOYSA-N -2 1 344.392 2.869 20 0 EFADML Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)cc21 ZINC000175009957 474130730 /nfs/dbraw/zinc/13/07/30/474130730.db2.gz SBQMCNREAJJTLS-UHFFFAOYSA-N -2 1 344.392 2.606 20 0 EFADML CC(C)C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC000232603300 474267416 /nfs/dbraw/zinc/26/74/16/474267416.db2.gz ALMNGPDIDIJDMF-SNVBAGLBSA-N -2 1 344.205 2.631 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1F ZINC000314010852 474858679 /nfs/dbraw/zinc/85/86/79/474858679.db2.gz VERAXNOQAAXBDG-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000316604606 474880537 /nfs/dbraw/zinc/88/05/37/474880537.db2.gz NJYKWFIKYYQJBU-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1F ZINC000339073019 474902277 /nfs/dbraw/zinc/90/22/77/474902277.db2.gz IZGMNAMQAQSGDD-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000320255249 474910139 /nfs/dbraw/zinc/91/01/39/474910139.db2.gz QNCVRGBHFMWVLJ-UHFFFAOYSA-N -2 1 333.365 2.778 20 0 EFADML COCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000323663431 474950230 /nfs/dbraw/zinc/95/02/30/474950230.db2.gz VCCUSYZXLSCYON-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000323594637 474951411 /nfs/dbraw/zinc/95/14/11/474951411.db2.gz ABMOMRMNYHNMLF-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2ccccc2COC)cc1C(=O)[O-] ZINC000325382453 474987813 /nfs/dbraw/zinc/98/78/13/474987813.db2.gz AECQKHZUCGPVNB-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000297226223 475666628 /nfs/dbraw/zinc/66/66/28/475666628.db2.gz ONKIUBUOVCKESB-GWCFXTLKSA-N -2 1 347.383 2.667 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000358491491 475721490 /nfs/dbraw/zinc/72/14/90/475721490.db2.gz KGIAMDXYOVUMAU-UHFFFAOYSA-N -2 1 347.392 2.683 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)cc1C ZINC000358501321 475728811 /nfs/dbraw/zinc/72/88/11/475728811.db2.gz XUWMCFIMLQOPRL-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC000340127712 475779360 /nfs/dbraw/zinc/77/93/60/475779360.db2.gz LQNKEJUIXOHPSI-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1C(=O)[O-] ZINC000336863006 476146181 /nfs/dbraw/zinc/14/61/81/476146181.db2.gz DHNMTAFFPZFSIY-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000336863603 476146780 /nfs/dbraw/zinc/14/67/80/476146780.db2.gz HOOONIHUORXDTI-UHFFFAOYSA-N -2 1 333.365 2.778 20 0 EFADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000336867948 476150628 /nfs/dbraw/zinc/15/06/28/476150628.db2.gz QHFVDCMOQPTQSW-UHFFFAOYSA-N -2 1 331.393 2.603 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000357016979 476157896 /nfs/dbraw/zinc/15/78/96/476157896.db2.gz HVIGBDPFJOIURJ-UHFFFAOYSA-N -2 1 331.393 2.603 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1C(=O)[O-] ZINC000336876852 476162794 /nfs/dbraw/zinc/16/27/94/476162794.db2.gz KTHFPRQMPDGNOQ-UHFFFAOYSA-N -2 1 347.392 2.951 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000337027156 476270153 /nfs/dbraw/zinc/27/01/53/476270153.db2.gz CZWQJPCXFZUTHU-UHFFFAOYSA-N -2 1 335.381 2.513 20 0 EFADML CCOCc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000357168580 476273630 /nfs/dbraw/zinc/27/36/30/476273630.db2.gz IXTOTBHQULKHFQ-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(O)cc3F)no2)c1 ZINC000350841785 476305826 /nfs/dbraw/zinc/30/58/26/476305826.db2.gz OFQGQPFZWSSRGC-UHFFFAOYSA-N -2 1 329.287 2.912 20 0 EFADML Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000413991206 476824270 /nfs/dbraw/zinc/82/42/70/476824270.db2.gz OCYNKFPGUXOGNJ-QWRGUYRKSA-N -2 1 344.415 2.689 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c(C(=O)[O-])c1 ZINC000392646148 476827917 /nfs/dbraw/zinc/82/79/17/476827917.db2.gz CYMMKNKOSPZXLG-UHFFFAOYSA-N -2 1 347.392 2.951 20 0 EFADML COc1cc(C)cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000447261934 476968340 /nfs/dbraw/zinc/96/83/40/476968340.db2.gz BQKGWTYVRPGTCH-UHFFFAOYSA-N -2 1 349.408 2.740 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)ccc1C(=O)[O-] ZINC000432761305 477259919 /nfs/dbraw/zinc/25/99/19/477259919.db2.gz RXJULCYGCTVTHO-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1ccccc1CCc1cc(=NC(=O)c2c([O-])cccc2[O-])[nH][nH]1 ZINC000436644873 477542681 /nfs/dbraw/zinc/54/26/81/477542681.db2.gz BSABJJBPURFSSC-UHFFFAOYSA-N -2 1 337.379 2.589 20 0 EFADML O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1 ZINC000436998723 477659604 /nfs/dbraw/zinc/65/96/04/477659604.db2.gz YUHRDEFBJLGOBB-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000558580240 477890459 /nfs/dbraw/zinc/89/04/59/477890459.db2.gz JJSNUDFYMCJOPL-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML Cc1ccc(-c2[n-][nH]c(=NC(=O)c3c(F)ccc([O-])c3F)c2C)o1 ZINC000438886002 477901689 /nfs/dbraw/zinc/90/16/89/477901689.db2.gz MIMJWKTYEFAFKY-UHFFFAOYSA-N -2 1 333.294 2.945 20 0 EFADML CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl ZINC000560481095 478090714 /nfs/dbraw/zinc/09/07/14/478090714.db2.gz HKYWFECZPHZBAQ-QMMMGPOBSA-N -2 1 325.839 2.569 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c(F)c1 ZINC000562998677 478409644 /nfs/dbraw/zinc/40/96/44/478409644.db2.gz BEASDQYUACYDPC-MFKMUULPSA-N -2 1 347.383 2.585 20 0 EFADML O=C([O-])[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000583915958 478970692 /nfs/dbraw/zinc/97/06/92/478970692.db2.gz JYYGYSPIKZUCNW-NSHDSACASA-N -2 1 345.829 2.696 20 0 EFADML CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000573778123 479140548 /nfs/dbraw/zinc/14/05/48/479140548.db2.gz BPPZEUBPCSXYPK-NSHDSACASA-N -2 1 343.376 2.740 20 0 EFADML Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000588834215 479445415 /nfs/dbraw/zinc/44/54/15/479445415.db2.gz AANZLHGMWYJBNV-UHFFFAOYSA-N -2 1 330.365 2.677 20 0 EFADML O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000575999565 479520405 /nfs/dbraw/zinc/52/04/05/479520405.db2.gz NXVFPMWATRLXLL-WPRPVWTQSA-N -2 1 337.850 2.713 20 0 EFADML CCC1(CC)CCCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1 ZINC000618667740 479544017 /nfs/dbraw/zinc/54/40/17/479544017.db2.gz LRMWDFNSPLGCKM-UHFFFAOYSA-N -2 1 344.415 2.787 20 0 EFADML O=S(=O)(CCCOCc1ccccc1)[N-]c1cccc(F)c1[O-] ZINC000629327328 480219614 /nfs/dbraw/zinc/21/96/14/480219614.db2.gz BWGPBYCSIMDZFK-UHFFFAOYSA-N -2 1 339.388 2.880 20 0 EFADML Cc1nc(-c2ccc(N3C[C@@H](C(=O)[O-])CC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000662893481 482008392 /nfs/dbraw/zinc/00/83/92/482008392.db2.gz MOAAKBHWNZRFOY-HZMBPMFUSA-N -2 1 342.399 2.551 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000663044355 482045533 /nfs/dbraw/zinc/04/55/33/482045533.db2.gz NYLHKTBJCIWHQV-UHFFFAOYSA-N -2 1 340.173 2.823 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)C2(C(=O)[O-])CCC2)c1 ZINC000663045015 482046218 /nfs/dbraw/zinc/04/62/18/482046218.db2.gz VFRNQIGOQVKAFY-UHFFFAOYSA-N -2 1 328.162 2.657 20 0 EFADML CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000663099826 482069035 /nfs/dbraw/zinc/06/90/35/482069035.db2.gz FANAKJCROQKNFD-HNNXBMFYSA-N -2 1 347.411 2.560 20 0 EFADML C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000131918185 533829358 /nfs/dbraw/zinc/82/93/58/533829358.db2.gz UHROQJXMBPGWOY-ZCFIWIBFSA-N -2 1 346.257 2.977 20 0 EFADML CCOc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc(Cl)c1[O-] ZINC000263144334 520661129 /nfs/dbraw/zinc/66/11/29/520661129.db2.gz GZNQAQQUSYNZCF-NXEZZACHSA-N -2 1 341.791 2.770 20 0 EFADML CCOc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc(Cl)c1[O-] ZINC000263144341 520661600 /nfs/dbraw/zinc/66/16/00/520661600.db2.gz GZNQAQQUSYNZCF-ZJUUUORDSA-N -2 1 341.791 2.770 20 0 EFADML CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000172605481 527541447 /nfs/dbraw/zinc/54/14/47/527541447.db2.gz SXAZKMFFKFRTKQ-UHFFFAOYSA-N -2 1 337.372 2.989 20 0 EFADML CCOc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000263471907 535662971 /nfs/dbraw/zinc/66/29/71/535662971.db2.gz YCZUEGSMDVRWQV-NSHDSACASA-N -2 1 327.764 2.524 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000322454445 545818904 /nfs/dbraw/zinc/81/89/04/545818904.db2.gz FKQKCGDKNURIGW-UHFFFAOYSA-N -2 1 337.401 2.515 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)ccc1F ZINC000507583562 546295984 /nfs/dbraw/zinc/29/59/84/546295984.db2.gz PXTMWZZJCIRWCL-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML Cc1nc(-c2ccc(NC[C@@H](C(=O)[O-])C(C)C)nc2)[n-]c(=O)c1C ZINC000656093473 546676683 /nfs/dbraw/zinc/67/66/83/546676683.db2.gz VRTKIJHPOXSHIZ-CYBMUJFWSA-N -2 1 330.388 2.630 20 0 EFADML CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000657142885 547043303 /nfs/dbraw/zinc/04/33/03/547043303.db2.gz NNKJXUZYDINLLC-SKDRFNHKSA-N -2 1 347.383 2.523 20 0 EFADML Cc1cc(CS(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])on1 ZINC000681561939 549567525 /nfs/dbraw/zinc/56/75/25/549567525.db2.gz NFRUOFWOJVNKAF-UHFFFAOYSA-N -2 1 344.776 2.585 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)ccc1Cl ZINC000768055455 577251798 /nfs/dbraw/zinc/25/17/98/577251798.db2.gz KTDDDOBHFZFKQW-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c(C)c1C ZINC000738069544 577429607 /nfs/dbraw/zinc/42/96/07/577429607.db2.gz JEZIKEAVSLNNTE-UHFFFAOYSA-N -2 1 341.410 2.873 20 0 EFADML O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000821515397 598195036 /nfs/dbraw/zinc/19/50/36/598195036.db2.gz HVONZYOCSDMSNP-SECBINFHSA-N -2 1 331.290 2.738 20 0 EFADML CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000736165808 599811059 /nfs/dbraw/zinc/81/10/59/599811059.db2.gz QZJRQNCZJSVPPV-UHFFFAOYSA-N -2 1 342.351 2.620 20 0 EFADML O=C([O-])c1coc(CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000740268575 599844595 /nfs/dbraw/zinc/84/45/95/599844595.db2.gz ABMRBBYQNASUGX-UHFFFAOYSA-N -2 1 336.369 2.648 20 0 EFADML COc1ccc([C@H](NC(=O)c2ccc(Cl)cc2[O-])C(=O)[O-])cc1 ZINC000737962821 599849264 /nfs/dbraw/zinc/84/92/64/599849264.db2.gz SGFNHFHXMIXCGS-AWEZNQCLSA-N -2 1 335.743 2.610 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c(F)c1 ZINC000405009193 599850254 /nfs/dbraw/zinc/85/02/54/599850254.db2.gz OUTVSJTXOBECPV-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000737835198 599853165 /nfs/dbraw/zinc/85/31/65/599853165.db2.gz VGWNODMYWCSJLO-UHFFFAOYSA-N -2 1 349.408 2.651 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)ccc1F ZINC000738477043 599886202 /nfs/dbraw/zinc/88/62/02/599886202.db2.gz BIRHINNDZWLXHA-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccsc3C(=O)[O-])ccc2O1 ZINC000736824985 599938378 /nfs/dbraw/zinc/93/83/78/599938378.db2.gz IQARNJQRMQPNCE-QMMMGPOBSA-N -2 1 339.394 2.571 20 0 EFADML O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1cc(F)ccc1F ZINC000739500913 599972837 /nfs/dbraw/zinc/97/28/37/599972837.db2.gz COHHPVFVNWOYTA-ZDUSSCGKSA-N -2 1 341.260 2.999 20 0 EFADML O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000740143060 600093731 /nfs/dbraw/zinc/09/37/31/600093731.db2.gz AVQKZTXJMXUGCU-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(C)c1O ZINC000738633172 600096198 /nfs/dbraw/zinc/09/61/98/600096198.db2.gz ZINWHSYLKHCZHY-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c1 ZINC000737834444 600097902 /nfs/dbraw/zinc/09/79/02/600097902.db2.gz DXEGBARJBNREKB-UHFFFAOYSA-N -2 1 336.369 2.724 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000319993230 600104839 /nfs/dbraw/zinc/10/48/39/600104839.db2.gz GMFPMFOIFNTZJL-UHFFFAOYSA-N -2 1 334.397 2.560 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(F)cc1F ZINC000740089331 600229920 /nfs/dbraw/zinc/22/99/20/600229920.db2.gz FESODSFJYYRYLP-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML CCOc1ccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])cc1C ZINC000391205323 600255407 /nfs/dbraw/zinc/25/54/07/600255407.db2.gz GIKZAAFKIYDLSY-UHFFFAOYSA-N -2 1 338.385 2.529 20 0 EFADML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000325886766 600492696 /nfs/dbraw/zinc/49/26/96/600492696.db2.gz QIBWJADXMBJFLX-UHFFFAOYSA-N -2 1 344.392 2.685 20 0 EFADML O=C([O-])c1ccccc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000020395112 600581615 /nfs/dbraw/zinc/58/16/15/600581615.db2.gz PZGKBGYTUHWDHW-UHFFFAOYSA-N -2 1 330.287 2.779 20 0 EFADML N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000317089573 600635955 /nfs/dbraw/zinc/63/59/55/600635955.db2.gz ATUMHMQVYHRDMK-UHFFFAOYSA-N -2 1 336.756 2.711 20 0 EFADML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000392632578 600693138 /nfs/dbraw/zinc/69/31/38/600693138.db2.gz UDROHJIIKWRRMH-UHFFFAOYSA-N -2 1 344.392 2.685 20 0 EFADML CC(C)C[C@@H](CNC(=O)c1cc(Br)ccc1[O-])C(=O)[O-] ZINC000232590043 600774264 /nfs/dbraw/zinc/77/42/64/600774264.db2.gz KZMQFMPARYDDFY-VIFPVBQESA-N -2 1 344.205 2.631 20 0 EFADML Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)ccc2o1 ZINC000323876331 600809630 /nfs/dbraw/zinc/80/96/30/600809630.db2.gz JWNMCXWKEUDTHJ-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)ccc2o1 ZINC000326432823 600886443 /nfs/dbraw/zinc/88/64/43/600886443.db2.gz SDNRSOXQIPKORY-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)cc2o1 ZINC000738873815 600888000 /nfs/dbraw/zinc/88/80/00/600888000.db2.gz BHYFWLAOOVIAGE-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000825957125 601110548 /nfs/dbraw/zinc/11/05/48/601110548.db2.gz LWHVMPJYGQWXNT-UHFFFAOYSA-N -2 1 328.320 2.693 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000825957382 601180053 /nfs/dbraw/zinc/18/00/53/601180053.db2.gz UHPCDTCYFLXPEX-HUUCEWRRSA-N -2 1 334.368 2.572 20 0 EFADML N#Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1F ZINC000324378242 601329706 /nfs/dbraw/zinc/32/97/06/601329706.db2.gz VSHHXNGHDMFWKI-FPYGCLRLSA-N -2 1 346.339 2.596 20 0 EFADML N#Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ccc1F ZINC000324378241 601330171 /nfs/dbraw/zinc/33/01/71/601330171.db2.gz VSHHXNGHDMFWKI-BAQGIRSFSA-N -2 1 346.339 2.596 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)s1 ZINC000833323352 601605923 /nfs/dbraw/zinc/60/59/23/601605923.db2.gz FMMPBBMWCGNCRP-UHFFFAOYSA-N -2 1 349.393 2.637 20 0 EFADML O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000833294935 601855478 /nfs/dbraw/zinc/85/54/78/601855478.db2.gz NNTNEZFSZNWJHG-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML CCCCc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])[nH]n1 ZINC000829430785 602102819 /nfs/dbraw/zinc/10/28/19/602102819.db2.gz OXKDZVAQRMRHNR-UHFFFAOYSA-N -2 1 337.401 2.560 20 0 EFADML O=C([O-])c1csc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000833343425 602116304 /nfs/dbraw/zinc/11/63/04/602116304.db2.gz DPTYFZOMAOQFNY-WAYWQWQTSA-N -2 1 327.358 2.998 20 0 EFADML O=C([O-])c1csc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000833343423 602116622 /nfs/dbraw/zinc/11/66/22/602116622.db2.gz DPTYFZOMAOQFNY-AATRIKPKSA-N -2 1 327.358 2.998 20 0 EFADML CCCc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])[nH]n1 ZINC000829566659 602305948 /nfs/dbraw/zinc/30/59/48/602305948.db2.gz QHVCTWOFVIGYGN-UHFFFAOYSA-N -2 1 343.792 2.515 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000832852568 602307734 /nfs/dbraw/zinc/30/77/34/602307734.db2.gz AQSDTKCMNUVCRX-UHFFFAOYSA-N -2 1 349.412 2.875 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000832868591 602308152 /nfs/dbraw/zinc/30/81/52/602308152.db2.gz PPJDXFMZJRCCFQ-UHFFFAOYSA-N -2 1 349.412 2.875 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000830709950 603497708 /nfs/dbraw/zinc/49/77/08/603497708.db2.gz XCAJNPDRSFNLIY-UHFFFAOYSA-N -2 1 331.328 2.923 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)cc1F ZINC000833751187 604625482 /nfs/dbraw/zinc/62/54/82/604625482.db2.gz QSSYCWLHDWVORT-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000316748215 604641881 /nfs/dbraw/zinc/64/18/81/604641881.db2.gz QBSMSIVPHWSURI-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1ccnc(-c2nc3ccc(Br)cc3c(=O)[n-]2)c1 ZINC000833334223 604972455 /nfs/dbraw/zinc/97/24/55/604972455.db2.gz BRRVSEYZOOPUNW-UHFFFAOYSA-N -2 1 346.140 2.858 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)cc1C(=O)[O-] ZINC000149056928 605301950 /nfs/dbraw/zinc/30/19/50/605301950.db2.gz MULOLIVCINNPCP-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC000844786867 1279252229 /nfs/dbraw/zinc/25/22/29/1279252229.db2.gz QNQCUJDNHMLSEA-LURJTMIESA-N -2 1 344.191 2.522 20 0 EFADML Cc1ncc(CO)c(C(=O)Nc2ccc3[n-]c(=S)sc3c2)c1[O-] ZINC001147840538 1281314574 /nfs/dbraw/zinc/31/45/74/1281314574.db2.gz LGJBVFNPFLILSM-UHFFFAOYSA-N -2 1 347.421 2.739 20 0 EFADML Cc1ccccc1C(C)(C)NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148933349 1281813465 /nfs/dbraw/zinc/81/34/65/1281813465.db2.gz MKXAQCDLCBJBAQ-UHFFFAOYSA-N -2 1 349.408 2.612 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174807866 1287190094 /nfs/dbraw/zinc/19/00/94/1287190094.db2.gz PSDVQDYKQOBYIS-UHFFFAOYSA-N -2 1 327.383 2.689 20 0 EFADML Cc1noc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc12 ZINC001184697503 1290495028 /nfs/dbraw/zinc/49/50/28/1290495028.db2.gz VHESXPSNNZJTOP-UHFFFAOYSA-N -2 1 346.364 2.944 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)ccc1F ZINC001186193816 1290891107 /nfs/dbraw/zinc/89/11/07/1290891107.db2.gz XFZNZFXTYCWNCE-UHFFFAOYSA-N -2 1 335.316 2.922 20 0 EFADML Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC001188279686 1291362649 /nfs/dbraw/zinc/36/26/49/1291362649.db2.gz MEPCUVVUDCWFMP-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML O=S(=O)([N-]C1=CC=C[CH]1)c1cc(F)c(Br)c(F)c1 ZINC001189055092 1291564649 /nfs/dbraw/zinc/56/46/49/1291564649.db2.gz PGOAXLALZLOXHG-UHFFFAOYSA-N -2 1 335.149 2.664 20 0 EFADML O=C(Nc1nc(Br)ccc1[O-])c1ccc(F)c(F)c1[O-] ZINC001192784848 1293039610 /nfs/dbraw/zinc/03/96/10/1293039610.db2.gz RPWPRWMAVIPYMD-UHFFFAOYSA-N -2 1 345.099 2.786 20 0 EFADML CC(C)OC(=O)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21 ZINC001193487102 1293322537 /nfs/dbraw/zinc/32/25/37/1293322537.db2.gz WNZZBAYDXDBIQO-UHFFFAOYSA-N -2 1 325.342 2.749 20 0 EFADML COC(=O)c1cc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])[n-]n1 ZINC001194288538 1293589985 /nfs/dbraw/zinc/58/99/85/1293589985.db2.gz HXNAYLCKFHSOIJ-UHFFFAOYSA-N -2 1 344.154 2.769 20 0 EFADML Cc1ccc([O-])c(C(=O)Nc2ccc(F)c(Br)c2[O-])n1 ZINC001195329453 1293885539 /nfs/dbraw/zinc/88/55/39/1293885539.db2.gz CQQDRNNMWGRIJZ-UHFFFAOYSA-N -2 1 341.136 2.955 20 0 EFADML Cn1ccc2cc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])ccc21 ZINC001198778588 1295248628 /nfs/dbraw/zinc/24/86/28/1295248628.db2.gz HZCGNBXIHYUGCA-UHFFFAOYSA-N -2 1 330.365 2.677 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC001198779987 1295248724 /nfs/dbraw/zinc/24/87/24/1295248724.db2.gz WYKQYLQMZUGPKW-UHFFFAOYSA-N -2 1 344.348 2.841 20 0 EFADML Cc1c(Cl)c(-c2ccc3c(c2)CC(=O)[N-]C3=O)ccc1C(=O)[O-] ZINC001236134393 1313445954 /nfs/dbraw/zinc/44/59/54/1313445954.db2.gz HMHRACBAOVSGCS-UHFFFAOYSA-N -2 1 329.739 2.826 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(F)c2C)cc1N ZINC001210007364 1314270869 /nfs/dbraw/zinc/27/08/69/1314270869.db2.gz CZDICDMIXLPZIL-UHFFFAOYSA-N -2 1 338.360 2.524 20 0 EFADML COc1ncc(-c2cc([S-])cc([S-])c2)cc1[N-]S(C)(=O)=O ZINC001244794285 1314414271 /nfs/dbraw/zinc/41/42/71/1314414271.db2.gz RJZQJADKCGLQGI-UHFFFAOYSA-N -3 1 342.467 2.706 20 0 EFADML COc1ncc(-c2cc(F)ccc2[S-])cc1[N-]S(C)(=O)=O ZINC001244795530 1314414368 /nfs/dbraw/zinc/41/43/68/1314414368.db2.gz FSCFQRMFCSZAKU-UHFFFAOYSA-N -2 1 328.390 2.557 20 0 EFADML C[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)c1cc(Br)no1 ZINC001226781579 1311722098 /nfs/dbraw/zinc/72/20/98/1311722098.db2.gz KBLIVVVIFYNUEW-SCSAIBSYSA-N -2 1 342.178 2.532 20 0 EFADML COc1cccc2c1[C@H](Oc1nc3[nH]cnc3c(=S)[nH]1)CCO2 ZINC001226786326 1311722829 /nfs/dbraw/zinc/72/28/29/1311722829.db2.gz PQCWSUDBLIYQQI-SNVBAGLBSA-N -2 1 330.369 2.553 20 0 EFADML COC(=O)c1nc2cc(-c3cc(CC(=O)[O-])ccc3F)ccc2[n-]1 ZINC001245319340 1314468941 /nfs/dbraw/zinc/46/89/41/1314468941.db2.gz XSDOXWQWUBHFSM-UHFFFAOYSA-N -2 1 328.299 2.783 20 0 EFADML COC(=O)c1nc2ccc(-c3cc(CC(=O)[O-])ccc3F)cc2[n-]1 ZINC001245319340 1314468943 /nfs/dbraw/zinc/46/89/43/1314468943.db2.gz XSDOXWQWUBHFSM-UHFFFAOYSA-N -2 1 328.299 2.783 20 0 EFADML Nc1[nH]c(=S)[n-]c(=O)c1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211481887 1314507579 /nfs/dbraw/zinc/50/75/79/1314507579.db2.gz SIVOESGWJWIKCD-UHFFFAOYSA-N -2 1 346.290 2.514 20 0 EFADML O=c1cc(CC2CCCCC2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245938568 1314552723 /nfs/dbraw/zinc/55/27/23/1314552723.db2.gz BNXWOJXDYPSVNO-UHFFFAOYSA-N -2 1 336.413 2.947 20 0 EFADML COc1ccc(Nc2cc(F)c([O-])cc2F)c(S(=O)(=O)[O-])c1 ZINC001215573700 1314853447 /nfs/dbraw/zinc/85/34/47/1314853447.db2.gz HGOCDOZQVDOYGT-UHFFFAOYSA-N -2 1 331.296 2.669 20 0 EFADML COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2[S-])c1 ZINC001254420178 1315702669 /nfs/dbraw/zinc/70/26/69/1315702669.db2.gz SJPFGVGNLGQRSL-UHFFFAOYSA-N -2 1 325.411 2.793 20 0 EFADML Cc1cnc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184336 1316321048 /nfs/dbraw/zinc/32/10/48/1316321048.db2.gz ZLGVEGRKFAOABX-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189605 1316321373 /nfs/dbraw/zinc/32/13/73/1316321373.db2.gz OWWQYURYUNMSAH-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3cccnc3c2)c1 ZINC001260189021 1316321507 /nfs/dbraw/zinc/32/15/07/1316321507.db2.gz AREFKLKRHALGPD-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CCC3)c1 ZINC001260190422 1316321706 /nfs/dbraw/zinc/32/17/06/1316321706.db2.gz KGOKBGPGJSNEED-MRXNPFEDSA-N -2 1 347.392 2.555 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(O)cc(Cl)c2)cc1 ZINC001260227470 1316324259 /nfs/dbraw/zinc/32/42/59/1316324259.db2.gz LKOCVDOWPOKEPO-UHFFFAOYSA-N -2 1 327.745 2.545 20 0 EFADML O=C(CCn1ccc2ccccc21)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822986766 1429004734 /nfs/dbraw/zinc/00/47/34/1429004734.db2.gz LCOPWBPVTMTTDT-UHFFFAOYSA-N -2 1 348.366 2.556 20 0 EFADML O=C([N-]c1nccs1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738207390 1429593491 /nfs/dbraw/zinc/59/34/91/1429593491.db2.gz HTNHOABPMOFHQO-UHFFFAOYSA-N -2 1 341.400 2.520 20 0 EFADML CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000345680268 1423373060 /nfs/dbraw/zinc/37/30/60/1423373060.db2.gz ZLUWTNLPJHMBQR-UHFFFAOYSA-N -2 1 343.412 2.791 20 0 EFADML C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1F ZINC000820225568 1424776691 /nfs/dbraw/zinc/77/66/91/1424776691.db2.gz LPQPWQUFEMVBPH-JTQLQIEISA-N -2 1 341.346 2.844 20 0 EFADML O=C(Cc1ccc2c(c1)CCCC2)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823082391 1425820279 /nfs/dbraw/zinc/82/02/79/1425820279.db2.gz GVNGEGUODKTAPW-UHFFFAOYSA-N -2 1 349.394 2.632 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])[C@H]1C[C@H]1C1CCCCC1 ZINC000823289541 1425849337 /nfs/dbraw/zinc/84/93/37/1425849337.db2.gz KVALGMSSDHAEMB-STQMWFEESA-N -2 1 327.388 2.727 20 0 EFADML CSc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000821976781 1426831023 /nfs/dbraw/zinc/83/10/23/1426831023.db2.gz DGBVSWHBWSBGHS-UHFFFAOYSA-N -2 1 327.369 2.547 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823289535 1427770868 /nfs/dbraw/zinc/77/08/68/1427770868.db2.gz KVALGMSSDHAEMB-CHWSQXEVSA-N -2 1 327.388 2.727 20 0 EFADML Cc1ccc(C)c([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826284808 1429967175 /nfs/dbraw/zinc/96/71/75/1429967175.db2.gz GTMWYRZWKUKEGM-UHFFFAOYSA-N -2 1 343.412 2.593 20 0 EFADML C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820386120 1429991361 /nfs/dbraw/zinc/99/13/61/1429991361.db2.gz VWDSYHAANWTZJJ-SECBINFHSA-N -2 1 343.774 2.717 20 0 EFADML C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820386120 1429991363 /nfs/dbraw/zinc/99/13/63/1429991363.db2.gz VWDSYHAANWTZJJ-SECBINFHSA-N -2 1 343.774 2.717 20 0 EFADML C[C@@H](SCc1ccccc1)C(=O)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000820549331 1430091337 /nfs/dbraw/zinc/09/13/37/1430091337.db2.gz MHEKOFBZBMJQRK-SECBINFHSA-N -2 1 346.441 2.584 20 0 EFADML C[C@@H](SCc1ccccc1)C(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000820549331 1430091342 /nfs/dbraw/zinc/09/13/42/1430091342.db2.gz MHEKOFBZBMJQRK-SECBINFHSA-N -2 1 346.441 2.584 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cc2occc2s1 ZINC000823294831 1441496036 /nfs/dbraw/zinc/49/60/36/1441496036.db2.gz SXFFQUAUVIHEBO-UHFFFAOYSA-N -2 1 327.325 2.632 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nnn[n-]2)s1 ZINC000825716869 1441854658 /nfs/dbraw/zinc/85/46/58/1441854658.db2.gz BXOPTPWQUZNWHD-UHFFFAOYSA-N -2 1 349.441 2.600 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])C1(c2ccccc2)CCC1 ZINC000826450866 1442386315 /nfs/dbraw/zinc/38/63/15/1442386315.db2.gz HFHFXCFYIBGPLJ-UHFFFAOYSA-N -2 1 335.367 2.633 20 0 EFADML O=C(CCc1cccc(Cl)c1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822983924 1443074790 /nfs/dbraw/zinc/07/47/90/1443074790.db2.gz XVDCFLBDGVBZQX-UHFFFAOYSA-N -2 1 343.774 2.797 20 0 EFADML Cc1cccc2c(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])c[nH]c21 ZINC000822333174 1443799376 /nfs/dbraw/zinc/79/93/76/1443799376.db2.gz ZLXSQFCKEVWJQY-UHFFFAOYSA-N -2 1 348.366 2.543 20 0 EFADML CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820914553 1447336171 /nfs/dbraw/zinc/33/61/71/1447336171.db2.gz OWVLCCNOVQOQDX-ZDUSSCGKSA-N -2 1 337.383 2.780 20 0 EFADML O=C([N-]c1ncc(-c2nn[n-]n2)s1)C1(c2ccc(Cl)cc2)CC1 ZINC000823380243 1449359964 /nfs/dbraw/zinc/35/99/64/1449359964.db2.gz SXPIZBIHYUNMJD-UHFFFAOYSA-N -2 1 346.803 2.647 20 0 EFADML C[C@@]1(C(=O)[N-]c2ncc(-c3nn[n-]n3)s2)CCCc2ccccc21 ZINC000820577410 1449932153 /nfs/dbraw/zinc/93/21/53/1449932153.db2.gz PTBOJROAZJXPCN-MRXNPFEDSA-N -2 1 340.412 2.556 20 0 EFADML O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1[O-] ZINC001129733713 1449959593 /nfs/dbraw/zinc/95/95/93/1449959593.db2.gz XHCYXRCAEBVWSP-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML O=C(C=Cc1ccc2[nH]ccc2c1)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826401054 1450226442 /nfs/dbraw/zinc/22/64/42/1450226442.db2.gz OGAJRNGQPCPADW-KXFIGUGUSA-N -2 1 346.350 2.706 20 0 EFADML Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1 ZINC000352106714 1450379604 /nfs/dbraw/zinc/37/96/04/1450379604.db2.gz RBVJVVVYUOWOSZ-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML CC(C)C[C@@](C)(C[N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000926574894 716871440 /nfs/dbraw/zinc/87/14/40/716871440.db2.gz FBSTYPKKYFJBEK-INIZCTEOSA-N -2 1 339.413 2.848 20 0 EFADML C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)C1 ZINC000317719670 718570745 /nfs/dbraw/zinc/57/07/45/718570745.db2.gz DVBUGJROAVDCPZ-WPRPVWTQSA-N -2 1 333.356 2.520 20 0 EFADML C[C@H](CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1)C(=O)[O-] ZINC000909456204 723413560 /nfs/dbraw/zinc/41/35/60/723413560.db2.gz PDAZFQGUNBHOJO-MRVPVSSYSA-N -2 1 331.290 2.736 20 0 EFADML O=C([O-])CC[C@H]1CCCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000909484122 723496718 /nfs/dbraw/zinc/49/67/18/723496718.db2.gz OGHKBQSKWAYIBZ-LLVKDONJSA-N -2 1 346.358 2.797 20 0 EFADML CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000909494899 723525532 /nfs/dbraw/zinc/52/55/32/723525532.db2.gz GYWPQRYGLLVBSS-ZDUSSCGKSA-N -2 1 342.395 2.903 20 0 EFADML COc1cc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000910043414 727407740 /nfs/dbraw/zinc/40/77/40/727407740.db2.gz FSEDWZGYRAWNLD-LLVKDONJSA-N -2 1 327.764 2.524 20 0 EFADML O=C([O-])[C@@H]1CCCCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000910045916 727407982 /nfs/dbraw/zinc/40/79/82/727407982.db2.gz PMZNCGWKAOEZRZ-LBPRGKRZSA-N -2 1 332.331 2.549 20 0 EFADML O=C([O-])CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCCC1 ZINC000910064102 727409451 /nfs/dbraw/zinc/40/94/51/727409451.db2.gz HKWJDCKDQWEDCO-UHFFFAOYSA-N -2 1 331.290 2.880 20 0 EFADML O=C([O-])[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000910104855 727412760 /nfs/dbraw/zinc/41/27/60/727412760.db2.gz YSWZKAMUJFUBPS-IBGZPJMESA-N -2 1 343.354 2.833 20 0 EFADML O=C([O-])[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])[C@@H]2CCC[C@@H]21 ZINC000910249280 727423767 /nfs/dbraw/zinc/42/37/67/727423767.db2.gz XBONVQWNNSGTHN-RBSFLKMASA-N -2 1 340.379 2.656 20 0 EFADML O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000910391472 727438376 /nfs/dbraw/zinc/43/83/76/727438376.db2.gz KKKLZSIPUACCTH-DOMZBBRYSA-N -2 1 343.301 2.880 20 0 EFADML O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C2 ZINC000910416104 727439291 /nfs/dbraw/zinc/43/92/91/727439291.db2.gz IWFNGJPRBOFRLL-BONVTDFDSA-N -2 1 343.301 2.738 20 0 EFADML C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231726776 728634583 /nfs/dbraw/zinc/63/45/83/728634583.db2.gz UUFVEJVOIIIVJQ-LURJTMIESA-N -2 1 344.191 2.522 20 0 EFADML O=C([O-])C1(c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000321796207 970808324 /nfs/dbraw/zinc/80/83/24/970808324.db2.gz WDHAKOPBXXYULD-UHFFFAOYSA-N -2 1 335.356 2.743 20 0 EFADML O=C([O-])C1(c2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2)CC1 ZINC000321808439 970809813 /nfs/dbraw/zinc/80/98/13/970809813.db2.gz YSUQVUAIZZYTBS-UHFFFAOYSA-N -2 1 335.356 2.743 20 0 EFADML O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC000321842781 970814402 /nfs/dbraw/zinc/81/44/02/970814402.db2.gz AIINCXVFAXQXFU-UHFFFAOYSA-N -2 1 331.755 2.942 20 0 EFADML COc1cc(F)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000323853117 971046554 /nfs/dbraw/zinc/04/65/54/971046554.db2.gz YUAQJFYSPFBVQH-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])C1(NC(=O)c2ccc(Br)cc2[O-])CCCCC1 ZINC000044483620 948896315 /nfs/dbraw/zinc/89/63/15/948896315.db2.gz OUPAPXFCYZKCEI-UHFFFAOYSA-N -2 1 342.189 2.672 20 0 EFADML O=C([O-])c1cccc(CNC(=O)c2c([O-])cnc3c(F)cccc32)c1 ZINC001595243477 949491300 /nfs/dbraw/zinc/49/13/00/949491300.db2.gz DSJUBQLZYJIOJW-UHFFFAOYSA-N -2 1 340.310 2.708 20 0 EFADML O=C([O-])COc1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1 ZINC001595119221 951963626 /nfs/dbraw/zinc/96/36/26/951963626.db2.gz NUHKAOWNOQGWQG-UHFFFAOYSA-N -2 1 339.706 2.900 20 0 EFADML O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC001594811058 953822236 /nfs/dbraw/zinc/82/22/36/953822236.db2.gz RYMBFWIAPMDVAM-JGVFFNPUSA-N -2 1 328.162 2.594 20 0 EFADML C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC[C@@H]1C(=O)[O-] ZINC001589393036 954343758 /nfs/dbraw/zinc/34/37/58/954343758.db2.gz VQWQCIRYMDTYJF-SCZZXKLOSA-N -2 1 331.290 2.594 20 0 EFADML O=C([O-])C1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC001594925360 954812282 /nfs/dbraw/zinc/81/22/82/954812282.db2.gz INQGNWYCJVPSDK-UHFFFAOYSA-N -2 1 334.759 2.531 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000387828224 972141742 /nfs/dbraw/zinc/14/17/42/972141742.db2.gz YELYUQPAFYXRIC-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])C1(C(=O)Nc2nc(Br)ccc2[O-])CCCCC1 ZINC001180434094 957247045 /nfs/dbraw/zinc/24/70/45/957247045.db2.gz HFTHRDJEHANKCB-UHFFFAOYSA-N -2 1 343.177 2.523 20 0 EFADML O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC001574748401 957716345 /nfs/dbraw/zinc/71/63/45/957716345.db2.gz SUWBVUMMTNAFPM-ZDUSSCGKSA-N -2 1 341.260 2.999 20 0 EFADML O=C([O-])[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC001574751121 957723051 /nfs/dbraw/zinc/72/30/51/957723051.db2.gz ZNWKWGYCNCYCIB-SECBINFHSA-N -2 1 334.759 2.531 20 0 EFADML Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc12 ZINC000093909286 958257218 /nfs/dbraw/zinc/25/72/18/958257218.db2.gz QVOIYHVHQJLBLF-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC000149058921 959014857 /nfs/dbraw/zinc/01/48/57/959014857.db2.gz VLADXUKMNYGJMV-UHFFFAOYSA-N -2 1 326.761 2.542 20 0 EFADML N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(Cl)c1 ZINC000225227387 959860208 /nfs/dbraw/zinc/86/02/08/959860208.db2.gz XTILXGLPSZORRG-UHFFFAOYSA-N -2 1 342.785 2.772 20 0 EFADML Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(C)cnc1Cl ZINC000235953685 960535354 /nfs/dbraw/zinc/53/53/54/960535354.db2.gz OSVJNVZJJUTLGY-UHFFFAOYSA-N -2 1 346.817 2.912 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC001198778209 960582689 /nfs/dbraw/zinc/58/26/89/960582689.db2.gz CJMBVHCWEPGMQY-UHFFFAOYSA-N -2 1 343.307 2.787 20 0 EFADML CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Br)c([O-])c1 ZINC001573784522 960728562 /nfs/dbraw/zinc/72/85/62/960728562.db2.gz CXVWKCLALMGDHB-UHFFFAOYSA-N -2 1 330.178 2.984 20 0 EFADML CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001573819390 960938799 /nfs/dbraw/zinc/93/87/99/960938799.db2.gz BLJUQECDHAGSHQ-LJQANCHMSA-N -2 1 343.379 2.968 20 0 EFADML O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001571185611 962199724 /nfs/dbraw/zinc/19/97/24/962199724.db2.gz RWQQJAISEXVLMC-PWSUYJOCSA-N -2 1 329.352 2.624 20 0 EFADML CC(C)C[C@@H](CNC(=O)c1ccc2ccc(O)cc2c1[O-])C(=O)[O-] ZINC001571196679 962321374 /nfs/dbraw/zinc/32/13/74/962321374.db2.gz PRZONJCVDFAAAH-LBPRGKRZSA-N -2 1 331.368 2.728 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)c1F ZINC000313254083 963631028 /nfs/dbraw/zinc/63/10/28/963631028.db2.gz XTBQYTLMGFKZMK-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C)n1 ZINC000318836418 970479073 /nfs/dbraw/zinc/47/90/73/970479073.db2.gz YLUWHPFOQHLQGH-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000319934596 970591558 /nfs/dbraw/zinc/59/15/58/970591558.db2.gz GJFPPCLTZILRSH-AWEZNQCLSA-N -2 1 331.755 2.697 20 0 EFADML C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001603366002 972854607 /nfs/dbraw/zinc/85/46/07/972854607.db2.gz QSJVFVWWBNUSAZ-PSASIEDQSA-N -2 1 331.290 2.594 20 0 EFADML C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001603366004 972854828 /nfs/dbraw/zinc/85/48/28/972854828.db2.gz QSJVFVWWBNUSAZ-WCBMZHEXSA-N -2 1 331.290 2.594 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c(F)c1 ZINC001605179126 972891195 /nfs/dbraw/zinc/89/11/95/972891195.db2.gz JCZCENOMLBWWHF-NSHDSACASA-N -2 1 349.399 2.689 20 0 EFADML C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001603387931 972986467 /nfs/dbraw/zinc/98/64/67/972986467.db2.gz DBABYOVUHXAVLU-IUCAKERBSA-N -2 1 331.290 2.736 20 0 EFADML CC[C@H](C)C[C@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)[O-] ZINC000400373543 973268127 /nfs/dbraw/zinc/26/81/27/973268127.db2.gz HTMHLTOJZFTLEM-KWQFWETISA-N -2 1 344.205 2.774 20 0 EFADML O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001606128168 973372306 /nfs/dbraw/zinc/37/23/06/973372306.db2.gz AIJVYPIHSWQVRP-GFCCVEGCSA-N -2 1 343.379 2.968 20 0 EFADML O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000405293143 973816560 /nfs/dbraw/zinc/81/65/60/973816560.db2.gz IXGMSEVKGJBNTC-GZMMTYOYSA-N -2 1 342.189 2.528 20 0 EFADML CC(C)Oc1ccc(NC(=O)c2ccc(O)cc2[O-])c(C(=O)[O-])c1 ZINC001591788155 975968487 /nfs/dbraw/zinc/96/84/87/975968487.db2.gz PETFERVOUAKUNT-UHFFFAOYSA-N -2 1 331.324 2.836 20 0 EFADML C[C@H](CN(Cc1ccccc1)C(=O)c1ccc([O-])c(F)c1)C(=O)[O-] ZINC001592605169 978549881 /nfs/dbraw/zinc/54/98/81/978549881.db2.gz IFUUFCGPVHOICB-GFCCVEGCSA-N -2 1 331.343 2.894 20 0 EFADML Cc1ccc([C@H](CNC(=O)c2c([O-])cccc2Cl)C(=O)[O-])cc1 ZINC000738559356 978559280 /nfs/dbraw/zinc/55/92/80/978559280.db2.gz GWBQJTMZMKAYFN-LBPRGKRZSA-N -2 1 333.771 2.952 20 0 EFADML O=C([O-])c1ccc(F)c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788738568 978797638 /nfs/dbraw/zinc/79/76/38/978797638.db2.gz YBSNDWHHQMYJJS-UHFFFAOYSA-N -2 1 349.339 2.699 20 0 EFADML C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(C)(C)C ZINC001592722686 979226074 /nfs/dbraw/zinc/22/60/74/979226074.db2.gz KELOQMBKISJIFH-MRVPVSSYSA-N -2 1 335.372 2.624 20 0 EFADML CC[C@H](OC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])C(=O)[O-] ZINC001595354294 980690339 /nfs/dbraw/zinc/69/03/39/980690339.db2.gz RNGOYTPRJTTYRZ-AWEZNQCLSA-N -2 1 332.356 2.721 20 0 EFADML CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Br)cc1[O-] ZINC001594821777 981972351 /nfs/dbraw/zinc/97/23/51/981972351.db2.gz JQNDGRBYJSLDNU-CYBMUJFWSA-N -2 1 330.178 2.528 20 0 EFADML CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001594975440 982749649 /nfs/dbraw/zinc/74/96/49/982749649.db2.gz JACZRQOJJRUIFV-LLVKDONJSA-N -2 1 345.351 2.790 20 0 EFADML CCOc1cc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cc(Cl)c1[O-] ZINC000923150469 982761012 /nfs/dbraw/zinc/76/10/12/982761012.db2.gz VEWGDQSZKITPAW-HWPZZCPQSA-N -2 1 339.775 2.524 20 0 EFADML CCOc1cc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc(Cl)c1[O-] ZINC001597005957 986334059 /nfs/dbraw/zinc/33/40/59/986334059.db2.gz TZCFDDNXXMYSHA-KOLCDFICSA-N -2 1 341.791 2.818 20 0 EFADML CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC001589611544 987465746 /nfs/dbraw/zinc/46/57/46/987465746.db2.gz OLLRODDJOCXTDO-SECBINFHSA-N -2 1 327.327 2.633 20 0 EFADML CSc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001599819692 988490228 /nfs/dbraw/zinc/49/02/28/988490228.db2.gz DHYKJVCUBHHLNU-OAHLLOKOSA-N -2 1 345.376 2.607 20 0 EFADML CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001590408616 989942636 /nfs/dbraw/zinc/94/26/36/989942636.db2.gz BVGQRQFXFGSRKC-UHFFFAOYSA-N -2 1 347.408 2.856 20 0 EFADML CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Br)c([O-])c1 ZINC001590635557 990324102 /nfs/dbraw/zinc/32/41/02/990324102.db2.gz XICVBCRGISDBJS-UHFFFAOYSA-N -2 1 330.178 2.984 20 0 EFADML CC(C)(CC(=O)[O-])CC(=O)Nc1cccc([O-])c1Br ZINC001590636736 990324812 /nfs/dbraw/zinc/32/48/12/990324812.db2.gz FCJCBVLEVOAIIS-UHFFFAOYSA-N -2 1 330.178 2.984 20 0 EFADML CC(C)CN(CCC(=O)[O-])C(=O)c1cc(Br)ccc1[O-] ZINC001591324219 992299458 /nfs/dbraw/zinc/29/94/58/992299458.db2.gz MFBQTSXLUBKSGT-UHFFFAOYSA-N -2 1 344.205 2.728 20 0 EFADML C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1CC(=O)[O-] ZINC001598538069 992863280 /nfs/dbraw/zinc/86/32/80/992863280.db2.gz ASDCKWJKOCFIOI-UHFFFAOYSA-N -2 1 343.408 2.656 20 0 EFADML CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1CC(=O)[O-] ZINC001598538069 992863287 /nfs/dbraw/zinc/86/32/87/992863287.db2.gz ASDCKWJKOCFIOI-UHFFFAOYSA-N -2 1 343.408 2.656 20 0 EFADML COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001599654419 994555513 /nfs/dbraw/zinc/55/55/13/994555513.db2.gz XYKIJEVWXKQDBY-SFHVURJKSA-N -2 1 347.342 2.660 20 0 EFADML C[C@@H](Oc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1F)C(=O)[O-] ZINC001593632526 995920551 /nfs/dbraw/zinc/92/05/51/995920551.db2.gz WPOCSTMHJVSHHM-MRVPVSSYSA-N -2 1 337.278 2.775 20 0 EFADML COCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001599296894 997159664 /nfs/dbraw/zinc/15/96/64/997159664.db2.gz YEFLCLVYGCAGMY-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML COc1cc(CNC(=O)Cc2ccc([O-])c(Cl)c2)ccc1C(=O)[O-] ZINC001599410251 997408339 /nfs/dbraw/zinc/40/83/39/997408339.db2.gz VHSIPJIYJUQUMU-UHFFFAOYSA-N -2 1 349.770 2.611 20 0 EFADML COc1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc(Cl)c1[O-] ZINC001599351459 998102196 /nfs/dbraw/zinc/10/21/96/998102196.db2.gz UPZMIIRYXPMLKZ-UHFFFAOYSA-N -2 1 347.754 2.955 20 0 EFADML C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)[C@@H]1C ZINC001594348612 999321525 /nfs/dbraw/zinc/32/15/25/999321525.db2.gz RLPKIJSCNSAKRK-BBBLOLIVSA-N -2 1 349.836 2.982 20 0 EFADML C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001594348552 999321634 /nfs/dbraw/zinc/32/16/34/999321634.db2.gz PITQPQFMQMTOCH-NXEZZACHSA-N -2 1 347.383 2.768 20 0 EFADML C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CC1 ZINC001594352233 999332946 /nfs/dbraw/zinc/33/29/46/999332946.db2.gz ANDDNDCXCISOCF-RKDXNWHRSA-N -2 1 335.809 2.878 20 0 EFADML C[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001594361875 999367519 /nfs/dbraw/zinc/36/75/19/999367519.db2.gz OBXMCOTZIOAORT-SDBXPKJASA-N -2 1 335.809 2.878 20 0 EFADML CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC001589638483 1093118722 /nfs/dbraw/zinc/11/87/22/1093118722.db2.gz DODUPBSDZMQVLR-UHFFFAOYSA-N -2 1 341.367 2.674 20 0 EFADML CO[C@H](C)c1cccc(NC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)c1 ZINC001591325085 1093692343 /nfs/dbraw/zinc/69/23/43/1093692343.db2.gz VCPIODQMERSAHQ-SNVBAGLBSA-N -2 1 339.355 2.532 20 0 EFADML COc1ccc(-c2ccc(-c3nn[n-]n3)s2)cc1C1(C(=O)[O-])CC1 ZINC001591556239 1093768748 /nfs/dbraw/zinc/76/87/48/1093768748.db2.gz UFAVIRXWKKBKJS-UHFFFAOYSA-N -2 1 342.380 2.720 20 0 EFADML C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001594343753 1094425553 /nfs/dbraw/zinc/42/55/53/1094425553.db2.gz PYINMXRQVJEYRG-YUMQZZPRSA-N -2 1 335.809 2.734 20 0 EFADML Cc1ccnc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001600224584 1094901081 /nfs/dbraw/zinc/90/10/81/1094901081.db2.gz BZZOYINHZHHXMF-UHFFFAOYSA-N -2 1 338.360 2.645 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@]2(C)CCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC001600228010 1094902324 /nfs/dbraw/zinc/90/23/24/1094902324.db2.gz AVQRWCLISKRCMZ-BMIGLBTASA-N -2 1 347.383 2.585 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCCC2)c(F)c1 ZINC001600229582 1094903373 /nfs/dbraw/zinc/90/33/73/1094903373.db2.gz XUYAVYMYJVMBRW-CYBMUJFWSA-N -2 1 347.383 2.585 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)c(F)c1 ZINC001600228991 1094903422 /nfs/dbraw/zinc/90/34/22/1094903422.db2.gz RITSFFQOXSLFDI-ZDUSSCGKSA-N -2 1 347.383 2.585 20 0 EFADML Cc1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1C(=O)[O-] ZINC001600344009 1094985822 /nfs/dbraw/zinc/98/58/22/1094985822.db2.gz OUDNYUUJWTZVQP-UHFFFAOYSA-N -2 1 337.335 2.837 20 0 EFADML Nc1c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cccc1C(=O)[O-] ZINC001601208529 1095552819 /nfs/dbraw/zinc/55/28/19/1095552819.db2.gz CJXDWMVJYBIZRS-UHFFFAOYSA-N -2 1 342.323 2.705 20 0 EFADML O=C([O-])c1cc2c(cc1NC(=O)c1ccc([O-])cc1F)OCCCO2 ZINC001601591393 1095748983 /nfs/dbraw/zinc/74/89/83/1095748983.db2.gz KHHQQUWRISBVBU-UHFFFAOYSA-N -2 1 347.298 2.643 20 0 EFADML O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Br)c([O-])c2)C1 ZINC001601805018 1095911452 /nfs/dbraw/zinc/91/14/52/1095911452.db2.gz WEOCMWBQWPAEOQ-RKDXNWHRSA-N -2 1 342.189 2.984 20 0 EFADML O=C([O-])Cc1c[n-]n(-c2ccc(Br)cc2Cl)c1=O ZINC001601940644 1095985963 /nfs/dbraw/zinc/98/59/63/1095985963.db2.gz MHHKJBAPSCLDIO-LURJTMIESA-N -2 1 331.553 2.526 20 0 EFADML O=C([O-])CCCc1nnc([N-]C(=O)c2ccc(C(F)F)o2)s1 ZINC001602003346 1096017173 /nfs/dbraw/zinc/01/71/73/1096017173.db2.gz FSQWQLXXQUOAIV-UHFFFAOYSA-N -2 1 331.300 2.728 20 0 EFADML O=C([O-])Cc1csc(NC(=O)c2ccc3ccc(O)cc3c2[O-])n1 ZINC001602153544 1096094437 /nfs/dbraw/zinc/09/44/37/1096094437.db2.gz YOVPRWQWFIUWTD-UHFFFAOYSA-N -2 1 344.348 2.587 20 0 EFADML O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccccc1 ZINC001602170603 1096101241 /nfs/dbraw/zinc/10/12/41/1096101241.db2.gz JIBIGFBKFQJFOK-ZDUSSCGKSA-N -2 1 341.260 2.999 20 0 EFADML O=C([O-])c1cc(C2CCN(Cc3ccc([O-])c(F)c3F)CC2)no1 ZINC001602253201 1096139928 /nfs/dbraw/zinc/13/99/28/1096139928.db2.gz SSQBEWCUYOEMAG-UHFFFAOYSA-N -2 1 338.310 2.736 20 0 EFADML O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC001602276516 1096155432 /nfs/dbraw/zinc/15/54/32/1096155432.db2.gz DPYDYSGCVJLIPM-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)oc1Cl ZINC001602295178 1096164586 /nfs/dbraw/zinc/16/45/86/1096164586.db2.gz ZZTFBAKZZDZISO-SECBINFHSA-N -2 1 333.793 2.632 20 0 EFADML O=C([O-])c1ccc(O)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001602387702 1096217855 /nfs/dbraw/zinc/21/78/55/1096217855.db2.gz HUCGTMJMMHLZNU-UHFFFAOYSA-N -2 1 327.745 2.545 20 0 EFADML O=C([O-])c1cccc2c1OCCN(Cc1ccc([O-])c(F)c1F)C2 ZINC001602461886 1096256951 /nfs/dbraw/zinc/25/69/51/1096256951.db2.gz RAACSIAZCZXKFX-UHFFFAOYSA-N -2 1 335.306 2.763 20 0 EFADML O=C([O-])c1nc(NC(=O)c2c(F)ccc([O-])c2F)sc1C1CC1 ZINC001602569453 1096303320 /nfs/dbraw/zinc/30/33/20/1096303320.db2.gz GKPRQHAIXVEEAJ-UHFFFAOYSA-N -2 1 340.307 2.955 20 0 EFADML O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccc3ccc(O)cc3c1[O-])CC2 ZINC001602626140 1096332632 /nfs/dbraw/zinc/33/26/32/1096332632.db2.gz QVTSSRIFACTNQV-BEFAXECRSA-N -2 1 341.363 2.720 20 0 EFADML CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001603074476 1096434217 /nfs/dbraw/zinc/43/42/17/1096434217.db2.gz MSYDEQDWOLDXFT-UHFFFAOYSA-N -2 1 328.324 2.610 20 0 EFADML C[C@@H](CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1)C(=O)[O-] ZINC001604152478 1096753656 /nfs/dbraw/zinc/75/36/56/1096753656.db2.gz IJINCJVGZFGJQS-QMMMGPOBSA-N -2 1 331.290 2.736 20 0 EFADML CC([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)(C1CC1)C1CC1 ZINC001604355127 1096826419 /nfs/dbraw/zinc/82/64/19/1096826419.db2.gz CFSBYRYTGZSTDO-UHFFFAOYSA-N -2 1 345.367 2.520 20 0 EFADML CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604941591 1096984835 /nfs/dbraw/zinc/98/48/35/1096984835.db2.gz AWMRJWUROVMJJP-BDAKNGLRSA-N -2 1 335.372 2.766 20 0 EFADML CCC(CC)(CC)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604995228 1096995819 /nfs/dbraw/zinc/99/58/19/1096995819.db2.gz XYSLJODZRLGHGA-UHFFFAOYSA-N -2 1 335.372 2.910 20 0 EFADML CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605163484 1097039208 /nfs/dbraw/zinc/03/92/08/1097039208.db2.gz NSCXMCWLNVASEN-LDYMZIIASA-N -2 1 333.356 2.520 20 0 EFADML CCC[C@@H](C)CC[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605207350 1097051923 /nfs/dbraw/zinc/05/19/23/1097051923.db2.gz ZHFNGYQIQGREJO-SECBINFHSA-N -2 1 335.372 2.768 20 0 EFADML CCCC[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC001605249742 1097068016 /nfs/dbraw/zinc/06/80/16/1097068016.db2.gz IHOBJESBSPGMGP-CYBMUJFWSA-N -2 1 336.319 2.517 20 0 EFADML CCCCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC001605260010 1097072048 /nfs/dbraw/zinc/07/20/48/1097072048.db2.gz GMCGELCUQSVGHY-NSHDSACASA-N -2 1 337.800 2.791 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2cc(C)c(C(=O)[O-])o2)[n-]c1=O ZINC001605580211 1097162457 /nfs/dbraw/zinc/16/24/57/1097162457.db2.gz ROXCWELKNJSJDW-RMKNXTFCSA-N -2 1 332.312 2.519 20 0 EFADML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1COC ZINC001605826893 1097240089 /nfs/dbraw/zinc/24/00/89/1097240089.db2.gz DUGFRDUQUCLRRP-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML CC(C)Oc1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc1 ZINC001167934255 1097336000 /nfs/dbraw/zinc/33/60/00/1097336000.db2.gz QGDSNPQGICGSMU-UHFFFAOYSA-N -2 1 348.339 2.954 20 0 EFADML COc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc(Cl)c1[O-] ZINC001607068125 1097504247 /nfs/dbraw/zinc/50/42/47/1097504247.db2.gz UGRWRYVVENDDCJ-QMMMGPOBSA-N -2 1 327.764 2.522 20 0 EFADML COc1cc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])ccc1F ZINC001607180882 1097553734 /nfs/dbraw/zinc/55/37/34/1097553734.db2.gz FWIRVACZMQJLJY-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC001607326189 1097601592 /nfs/dbraw/zinc/60/15/92/1097601592.db2.gz UUURWMXNOQNMMU-UHFFFAOYSA-N -2 1 349.408 2.858 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)c(C)n1 ZINC001607810841 1097740159 /nfs/dbraw/zinc/74/01/59/1097740159.db2.gz QALPWHJUBFGCEH-UHFFFAOYSA-N -2 1 348.424 2.861 20 0 EFADML Cc1cnc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c([O-])c1 ZINC001607902895 1097772616 /nfs/dbraw/zinc/77/26/16/1097772616.db2.gz GIKHBMRRBVNYSB-ZIAGYGMSSA-N -2 1 332.400 2.591 20 0 EFADML Cc1cnc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c([O-])c1 ZINC001607904952 1097773822 /nfs/dbraw/zinc/77/38/22/1097773822.db2.gz GPOWZDHXVOKCEU-HNNXBMFYSA-N -2 1 328.368 2.678 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001607949333 1097785431 /nfs/dbraw/zinc/78/54/31/1097785431.db2.gz YYLXMBUKAXEDJR-UHFFFAOYSA-N -2 1 349.431 2.769 20 0 EFADML Cc1oc(CN(C)C(=O)Cc2ccc([O-])c(Cl)c2)cc1C(=O)[O-] ZINC001608043895 1097814838 /nfs/dbraw/zinc/81/48/38/1097814838.db2.gz CIQKUMJJNONVSA-UHFFFAOYSA-N -2 1 337.759 2.846 20 0 EFADML Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC001608086349 1097829717 /nfs/dbraw/zinc/82/97/17/1097829717.db2.gz NPFCTKGQYLFATK-OAHLLOKOSA-N -2 1 346.358 2.935 20 0 EFADML O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1c([O-])cccc1Cl ZINC001608653897 1097977984 /nfs/dbraw/zinc/97/79/84/1097977984.db2.gz UDSMNMUXLIDTOF-CYBMUJFWSA-N -2 1 331.755 2.697 20 0 EFADML O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC001608654755 1097978482 /nfs/dbraw/zinc/97/84/82/1097978482.db2.gz NNOZYGXPFYKCBP-KRWDZBQOSA-N -2 1 348.358 2.765 20 0 EFADML O=C([O-])CC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CCCC1 ZINC001608680319 1097988699 /nfs/dbraw/zinc/98/86/99/1097988699.db2.gz WWMZRQOHKTVFSF-UHFFFAOYSA-N -2 1 337.397 2.746 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]C/C=C\c2ccccc2)oc1Cl ZINC001608861699 1098047669 /nfs/dbraw/zinc/04/76/69/1098047669.db2.gz KSOQWKMMJKTZQM-DAXSKMNVSA-N -2 1 341.772 2.623 20 0 EFADML O=C([O-])c1cnc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC001608970994 1098093540 /nfs/dbraw/zinc/09/35/40/1098093540.db2.gz PULQODJTPIDKNN-UHFFFAOYSA-N -2 1 346.408 2.642 20 0 EFADML CC(C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)C(F)(F)F ZINC001609681273 1098425181 /nfs/dbraw/zinc/42/51/81/1098425181.db2.gz XFJPWMWAWAPJMJ-UHFFFAOYSA-N -2 1 345.726 2.657 20 0 EFADML CCCCC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-] ZINC001609966978 1098509452 /nfs/dbraw/zinc/50/94/52/1098509452.db2.gz FVONPKDCLFVLKI-LLVKDONJSA-N -2 1 344.205 2.918 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC001610046465 1098529426 /nfs/dbraw/zinc/52/94/26/1098529426.db2.gz WZEPNGCNDGGULL-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML CCOc1ccccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001610047530 1098530550 /nfs/dbraw/zinc/53/05/50/1098530550.db2.gz YHRIWUZBSKYWJP-UHFFFAOYSA-N -2 1 341.429 2.862 20 0 EFADML CCc1ccccc1[N-]S(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC001610070741 1098539329 /nfs/dbraw/zinc/53/93/29/1098539329.db2.gz NYXWAXCMQAEAGN-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)n1 ZINC001610456169 1098688027 /nfs/dbraw/zinc/68/80/27/1098688027.db2.gz OXDTUHJPBJZOSB-UHFFFAOYSA-N -2 1 334.397 2.814 20 0 EFADML Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001610479085 1098700555 /nfs/dbraw/zinc/70/05/55/1098700555.db2.gz MUHCQOIDSNPZBP-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC001610771316 1098877352 /nfs/dbraw/zinc/87/73/52/1098877352.db2.gz LDDIRISKVCWQSK-UHFFFAOYSA-N -2 1 341.410 2.793 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC001610853287 1098937954 /nfs/dbraw/zinc/93/79/54/1098937954.db2.gz CBFIBQRKSFOANL-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML O=C([O-])c1ccccc1COC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001610854189 1098939318 /nfs/dbraw/zinc/93/93/18/1098939318.db2.gz RHUUKWUTKRKFIM-UHFFFAOYSA-N -2 1 338.319 2.633 20 0 EFADML O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)c1c([O-])cc(F)cc1F ZINC001610878994 1098953559 /nfs/dbraw/zinc/95/35/59/1098953559.db2.gz QXZNJRYCSDFEIA-CYBMUJFWSA-N -2 1 340.253 2.662 20 0 EFADML O=C(Cc1ccc([O-])c(Cl)c1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001636211357 1100707115 /nfs/dbraw/zinc/70/71/15/1100707115.db2.gz NVSGBJVOMSFJPL-UHFFFAOYSA-N -2 1 344.758 2.718 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000056663770 214382872 /nfs/dbraw/zinc/38/28/72/214382872.db2.gz NQXKPSHAMBGGDO-YFHOEESVSA-N -2 1 333.365 2.594 20 0 EFADML O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000035306755 213019005 /nfs/dbraw/zinc/01/90/05/213019005.db2.gz WDJREGIBAZZXRH-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000035094974 213008400 /nfs/dbraw/zinc/00/84/00/213008400.db2.gz HEAGXVZJIGLJFU-LURJTMIESA-N -2 1 346.257 2.977 20 0 EFADML O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000185569209 304089336 /nfs/dbraw/zinc/08/93/36/304089336.db2.gz OVMHTONVWOLZPT-UHFFFAOYSA-N -2 1 345.298 2.532 20 0 EFADML CCOc1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc(Cl)c1[O-] ZINC000262682986 245118154 /nfs/dbraw/zinc/11/81/54/245118154.db2.gz XAHAWFDLIOKVPQ-NSHDSACASA-N -2 1 329.780 2.673 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000078365063 217044220 /nfs/dbraw/zinc/04/42/20/217044220.db2.gz CEHDEAQLOCHKLT-UHFFFAOYSA-N -2 1 331.393 2.603 20 0 EFADML O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc3ccoc3c2)c1 ZINC000442847561 250129710 /nfs/dbraw/zinc/12/97/10/250129710.db2.gz QLPDWWROYUDSAG-UHFFFAOYSA-N -2 1 333.321 2.637 20 0 EFADML CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000315556611 545810667 /nfs/dbraw/zinc/81/06/67/545810667.db2.gz XWANOFKKSKVTLW-UHFFFAOYSA-N -2 1 346.767 2.800 20 0 EFADML CCC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC000263455048 141396010 /nfs/dbraw/zinc/39/60/10/141396010.db2.gz BTPQKAGFUVYWQF-VIFPVBQESA-N -2 1 344.191 2.664 20 0 EFADML CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000339208702 144713106 /nfs/dbraw/zinc/71/31/06/144713106.db2.gz MHDNUEHPTZTZBS-LLVKDONJSA-N -2 1 335.381 2.893 20 0 EFADML CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C ZINC000340784447 144932588 /nfs/dbraw/zinc/93/25/88/144932588.db2.gz AHVHKJZWUFRJMF-UHFFFAOYSA-N -2 1 340.426 2.554 20 0 EFADML CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(F)cc2[O-])no1 ZINC000350946424 146102873 /nfs/dbraw/zinc/10/28/73/146102873.db2.gz ZHMCFCAAKBDHIK-UHFFFAOYSA-N -2 1 328.365 2.759 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000351826055 146212030 /nfs/dbraw/zinc/21/20/30/146212030.db2.gz AFMZBGWDXGDYTA-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000270028131 545631218 /nfs/dbraw/zinc/63/12/18/545631218.db2.gz XRCBRSVZKZAYSH-UHFFFAOYSA-N -2 1 336.413 2.878 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c(C)c1C(=O)[O-] ZINC000156304402 544766071 /nfs/dbraw/zinc/76/60/71/544766071.db2.gz MGDHYAIYIZDSHZ-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1 ZINC000325395668 311243113 /nfs/dbraw/zinc/24/31/13/311243113.db2.gz NPTKZXNEZNUOMD-UHFFFAOYSA-N -2 1 342.376 2.663 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c(C(=O)[O-])c1 ZINC000326767496 311244602 /nfs/dbraw/zinc/24/46/02/311244602.db2.gz PTQGXKIIJGKSOI-UHFFFAOYSA-N -2 1 347.392 2.951 20 0 EFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000390651093 311951176 /nfs/dbraw/zinc/95/11/76/311951176.db2.gz JRWWWOQBIJUVEP-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)cc21 ZINC000489739660 313601724 /nfs/dbraw/zinc/60/17/24/313601724.db2.gz OULWVWOHYRPOHR-UHFFFAOYSA-N -2 1 348.355 2.816 20 0 EFADML CCc1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)[O-])c1 ZINC000504665578 315450188 /nfs/dbraw/zinc/45/01/88/315450188.db2.gz IKHFCYFDCLWUKS-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000530815510 317182050 /nfs/dbraw/zinc/18/20/50/317182050.db2.gz QZBQIIWLQSKVTJ-NWDGAFQWSA-N -2 1 344.415 2.833 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2F)c1C(=O)[O-] ZINC000532279990 317379700 /nfs/dbraw/zinc/37/97/00/317379700.db2.gz WGVBWENXLDMNJU-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC1(C)CCC([N-]S(=O)(=O)c2cccc(F)c2F)(C(=O)[O-])CC1 ZINC000543788935 317866517 /nfs/dbraw/zinc/86/65/17/317866517.db2.gz VQQYADSSRKIPJV-UHFFFAOYSA-N -2 1 347.383 2.667 20 0 EFADML CC(C)C[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)CC(=O)[O-] ZINC000547610541 318021462 /nfs/dbraw/zinc/02/14/62/318021462.db2.gz WYFPNEKPMPYQFB-LBPRGKRZSA-N -2 1 339.413 2.848 20 0 EFADML Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000548205442 318084269 /nfs/dbraw/zinc/08/42/69/318084269.db2.gz YVWDDUFIWAOESP-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548548781 318118638 /nfs/dbraw/zinc/11/86/38/318118638.db2.gz GEQGYADYBGVDPK-BBRMVZONSA-N -2 1 337.397 2.745 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c(F)c1 ZINC000569476248 319384658 /nfs/dbraw/zinc/38/46/58/319384658.db2.gz SYCGLYOERRFDNK-QWRGUYRKSA-N -2 1 349.399 2.831 20 0 EFADML CCOc1cc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000572842152 319709527 /nfs/dbraw/zinc/70/95/27/319709527.db2.gz SMNRSNHFKKHXMO-MWLCHTKSSA-N -2 1 341.791 2.627 20 0 EFADML O=C([O-])CCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000576568588 320028007 /nfs/dbraw/zinc/02/80/07/320028007.db2.gz XSTOOFHIZCRSGG-UHFFFAOYSA-N -2 1 344.191 2.666 20 0 EFADML CCc1[n-][nH]c(=NC(=O)c2cccc(CC)c2[O-])c1Br ZINC000576656132 320036590 /nfs/dbraw/zinc/03/65/90/320036590.db2.gz KEXNDNLRCPRDST-UHFFFAOYSA-N -2 1 338.205 2.677 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])c(F)c1 ZINC000576816950 320051018 /nfs/dbraw/zinc/05/10/18/320051018.db2.gz QLWMQXJCZICDLP-WFASDCNBSA-N -2 1 347.383 2.585 20 0 EFADML CCS(=O)(=O)[N-]c1cc(-c2cccc(C(=O)[O-])c2)ccc1OC ZINC000577377319 320105443 /nfs/dbraw/zinc/10/54/43/320105443.db2.gz HBSXEXDMIAUXNZ-UHFFFAOYSA-N -2 1 335.381 2.822 20 0 EFADML O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000578715476 320231222 /nfs/dbraw/zinc/23/12/22/320231222.db2.gz CLAKVNNVKMMRLI-AWEZNQCLSA-N -2 1 345.376 2.580 20 0 EFADML CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000580060499 324088230 /nfs/dbraw/zinc/08/82/30/324088230.db2.gz VXGGGVLAJPDOJK-UHFFFAOYSA-N -2 1 343.792 2.616 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1F ZINC000580508235 324173904 /nfs/dbraw/zinc/17/39/04/324173904.db2.gz OUTYXUIZVCAYCT-UHFFFAOYSA-N -2 1 345.298 2.744 20 0 EFADML CCn1ncc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc21 ZINC000058404090 472564446 /nfs/dbraw/zinc/56/44/46/472564446.db2.gz DVNCOYICNWILJL-UHFFFAOYSA-N -2 1 345.380 2.555 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cs1 ZINC000113251085 473375623 /nfs/dbraw/zinc/37/56/23/473375623.db2.gz YDBWNLKZLKCOEO-UHFFFAOYSA-N -2 1 337.300 2.664 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c(O)cccc2F)c1C ZINC000608004763 479909830 /nfs/dbraw/zinc/90/98/30/479909830.db2.gz SFODQUFEXUWTCQ-UHFFFAOYSA-N -2 1 339.344 2.647 20 0 EFADML CC(C)Cc1nc(=NC(=O)Cc2ccc([O-])c(Cl)c2)s[n-]1 ZINC000633626426 479919093 /nfs/dbraw/zinc/91/90/93/479919093.db2.gz QOIHTFPAAMAPHU-UHFFFAOYSA-N -2 1 325.821 2.699 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(F)cc1F ZINC000084650224 472203731 /nfs/dbraw/zinc/20/37/31/472203731.db2.gz NNAMUHLDCSQXEV-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)c1 ZINC000028913796 472242450 /nfs/dbraw/zinc/24/24/50/472242450.db2.gz YLXKOPNMNKLATH-JXMROGBWSA-N -2 1 345.376 2.788 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000045095908 472372908 /nfs/dbraw/zinc/37/29/08/472372908.db2.gz JABRBVKEPYGBBZ-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000045945739 472489079 /nfs/dbraw/zinc/48/90/79/472489079.db2.gz GOWYYNQFMISIQE-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000070311792 472496443 /nfs/dbraw/zinc/49/64/43/472496443.db2.gz ZFDYJKXSUQOUCS-RXMQYKEDSA-N -2 1 332.230 2.587 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000046303225 472542076 /nfs/dbraw/zinc/54/20/76/472542076.db2.gz KGJWHMJTHDHRDY-UHFFFAOYSA-N -2 1 343.364 2.576 20 0 EFADML O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000060367164 472648292 /nfs/dbraw/zinc/64/82/92/472648292.db2.gz WSCPHQXQHGKHFH-UHFFFAOYSA-N -2 1 331.271 2.603 20 0 EFADML Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc21 ZINC000078001556 472650767 /nfs/dbraw/zinc/65/07/67/472650767.db2.gz MMCJTLGGFRXTQL-UHFFFAOYSA-N -2 1 330.365 2.677 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1C(=O)[O-] ZINC000078756617 472765578 /nfs/dbraw/zinc/76/55/78/472765578.db2.gz COGGYWZNAGNCOF-UHFFFAOYSA-N -2 1 331.393 2.983 20 0 EFADML Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000133931717 472855711 /nfs/dbraw/zinc/85/57/11/472855711.db2.gz YWFTYRNBYOBOTK-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000048382840 472869873 /nfs/dbraw/zinc/86/98/73/472869873.db2.gz FZFAKLMJBMYKFN-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000167354159 473535720 /nfs/dbraw/zinc/53/57/20/473535720.db2.gz UJJJYYNRWMGKQX-LLVKDONJSA-N -2 1 325.386 2.601 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1 ZINC000174996591 474128557 /nfs/dbraw/zinc/12/85/57/474128557.db2.gz DWCZGCDIJQBQET-UHFFFAOYSA-N -2 1 330.365 2.596 20 0 EFADML O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000223859073 474191546 /nfs/dbraw/zinc/19/15/46/474191546.db2.gz RMPBWTJLXYAIAU-JTQLQIEISA-N -2 1 342.189 2.624 20 0 EFADML Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000316984512 474883004 /nfs/dbraw/zinc/88/30/04/474883004.db2.gz SMQIFTVAPLKMLM-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1F ZINC000319225038 474899084 /nfs/dbraw/zinc/89/90/84/474899084.db2.gz UECUCQJOPJMKGO-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000320389919 474911085 /nfs/dbraw/zinc/91/10/85/474911085.db2.gz CVCNVMABZGBOEN-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000320553667 474913932 /nfs/dbraw/zinc/91/39/32/474913932.db2.gz IUUCRGMHJULRNQ-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML COc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1F ZINC000323545612 474950739 /nfs/dbraw/zinc/95/07/39/474950739.db2.gz NVMPJKRPLVLGDA-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000285268568 474952725 /nfs/dbraw/zinc/95/27/25/474952725.db2.gz VSZOAIFHGJLNFP-LURJTMIESA-N -2 1 344.241 2.587 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1F ZINC000323762608 474954943 /nfs/dbraw/zinc/95/49/43/474954943.db2.gz WEQOFTCLTUNPCB-UHFFFAOYSA-N -2 1 335.356 2.813 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc(C(=O)[O-])c1C ZINC000348450677 475674446 /nfs/dbraw/zinc/67/44/46/475674446.db2.gz PYBVIHMKHUUYRD-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML COc1ccc(O)c(S(=O)(=O)Nc2cc(OC)c(C)cc2C)c1 ZINC000358490605 475720367 /nfs/dbraw/zinc/72/03/67/475720367.db2.gz AHLBZTRNQXYLJF-UHFFFAOYSA-N -2 1 337.397 2.827 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000340077665 475741276 /nfs/dbraw/zinc/74/12/76/475741276.db2.gz XJQOLXIPPQTITI-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML COCc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1 ZINC000340090314 475749867 /nfs/dbraw/zinc/74/98/67/475749867.db2.gz SSKFGIBGSUDEAN-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(F)c1 ZINC000361988769 475918890 /nfs/dbraw/zinc/91/88/90/475918890.db2.gz WKDYCERTIVYFEI-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000361989681 475919965 /nfs/dbraw/zinc/91/99/65/475919965.db2.gz YVOPURFUCYUDOA-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(O)c2)cc1C(=O)[O-] ZINC000358903269 476026064 /nfs/dbraw/zinc/02/60/64/476026064.db2.gz SXTMMNAGXPJYPD-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000336866629 476148456 /nfs/dbraw/zinc/14/84/56/476148456.db2.gz OUXDUUOUHIIFGQ-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000362306170 476157560 /nfs/dbraw/zinc/15/75/60/476157560.db2.gz QXOZNRAEHAPNHA-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000357016978 476157721 /nfs/dbraw/zinc/15/77/21/476157721.db2.gz HUANYNRNPYPGGV-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357019514 476160947 /nfs/dbraw/zinc/16/09/47/476160947.db2.gz NNXZXWXUYILHDH-UHFFFAOYSA-N -2 1 335.381 2.513 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000357070304 476203913 /nfs/dbraw/zinc/20/39/13/476203913.db2.gz ASAKJCFRECYAFT-UHFFFAOYSA-N -2 1 330.365 2.596 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000357124872 476248923 /nfs/dbraw/zinc/24/89/23/476248923.db2.gz CCZHCYMXMSPNPD-UHFFFAOYSA-N -2 1 345.298 2.532 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000357143513 476261638 /nfs/dbraw/zinc/26/16/38/476261638.db2.gz DTIGGHFFQSEVIL-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000337040401 476276177 /nfs/dbraw/zinc/27/61/77/476276177.db2.gz MAGMZMARGIZPIN-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1 ZINC000357541285 476442330 /nfs/dbraw/zinc/44/23/30/476442330.db2.gz LNJFFPZTUSOOTI-UHFFFAOYSA-N -2 1 334.378 2.795 20 0 EFADML CCOc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1C(=O)[O-] ZINC000387125356 476770421 /nfs/dbraw/zinc/77/04/21/476770421.db2.gz QHISCDJGIPATAA-UHFFFAOYSA-N -2 1 341.410 2.954 20 0 EFADML C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000388111319 476775000 /nfs/dbraw/zinc/77/50/00/476775000.db2.gz XHYBIXQFFCTHPR-NXEZZACHSA-N -2 1 335.372 2.523 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000391496498 476813409 /nfs/dbraw/zinc/81/34/09/476813409.db2.gz VGYNAIKWPZDOKR-UHFFFAOYSA-N -2 1 335.381 2.757 20 0 EFADML O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436695387 477561863 /nfs/dbraw/zinc/56/18/63/477561863.db2.gz DSDFBNKTUWRKMC-KRWDZBQOSA-N -2 1 335.359 2.971 20 0 EFADML Cc1cc(C(=O)N[C@@H](C)CC2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000436708768 477565757 /nfs/dbraw/zinc/56/57/57/477565757.db2.gz KZUBHRBKIOZMHH-NSHDSACASA-N -2 1 344.415 2.833 20 0 EFADML O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1 ZINC000436884823 477625571 /nfs/dbraw/zinc/62/55/71/477625571.db2.gz DOVQXKNRTOVSCQ-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000436893230 477627330 /nfs/dbraw/zinc/62/73/30/477627330.db2.gz NHRGREAGARKEQN-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)cc1 ZINC000439622264 478008385 /nfs/dbraw/zinc/00/83/85/478008385.db2.gz DZCKSKJBDLSXMV-UHFFFAOYSA-N -2 1 347.392 2.843 20 0 EFADML CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(OC)c1OC ZINC000581645583 478407105 /nfs/dbraw/zinc/40/71/05/478407105.db2.gz IQVXMKJWVUWOEW-NSHDSACASA-N -2 1 345.417 2.722 20 0 EFADML COc1ccc([O-])c(S(=O)(=O)Nc2cc(F)ccc2Cl)c1 ZINC000540498860 478479505 /nfs/dbraw/zinc/47/95/05/478479505.db2.gz PMFIPKJEURJVKI-UHFFFAOYSA-N -2 1 331.752 2.994 20 0 EFADML CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1c(F)ccc(C)c1C(=O)[O-] ZINC000583137731 478774069 /nfs/dbraw/zinc/77/40/69/478774069.db2.gz GWMLTYIUHQJUHL-LLVKDONJSA-N -2 1 347.408 2.635 20 0 EFADML Cc1nc(-c2ccc(N[C@@H]3CC[C@H](C(=O)[O-])C3)nc2)[n-]c(=O)c1C ZINC000583384020 478839540 /nfs/dbraw/zinc/83/95/40/478839540.db2.gz CIEVBXYRKFFRHM-WCQYABFASA-N -2 1 328.372 2.526 20 0 EFADML CC[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000583484415 478862041 /nfs/dbraw/zinc/86/20/41/478862041.db2.gz JHDSYAJRBKZXTC-MRVPVSSYSA-N -2 1 333.818 2.696 20 0 EFADML O=C([O-])[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000583915957 478970928 /nfs/dbraw/zinc/97/09/28/478970928.db2.gz JYYGYSPIKZUCNW-LLVKDONJSA-N -2 1 345.829 2.696 20 0 EFADML O=c1cc(C(F)F)nc(SCc2cc(=O)[nH]c(C3CC3)n2)[n-]1 ZINC000576248180 479574362 /nfs/dbraw/zinc/57/43/62/479574362.db2.gz SZTOXUOPCGZGRT-UHFFFAOYSA-N -2 1 326.328 2.785 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)[C@H](C(=O)[O-])C(C)C)c1 ZINC000647738766 481081945 /nfs/dbraw/zinc/08/19/45/481081945.db2.gz CGTKHFCWQROKPS-SNVBAGLBSA-N -2 1 330.178 2.758 20 0 EFADML O=C([O-])c1ccccc1C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000653556312 481326342 /nfs/dbraw/zinc/32/63/42/481326342.db2.gz AFLGDOQZMOBKIE-UHFFFAOYSA-N -2 1 326.352 2.505 20 0 EFADML Cc1cc(Br)c([O-])c(NC(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC000663045336 482046026 /nfs/dbraw/zinc/04/60/26/482046026.db2.gz XRPJAUAAYYYWJM-SNVBAGLBSA-N -2 1 328.162 2.512 20 0 EFADML CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000320388581 535093773 /nfs/dbraw/zinc/09/37/73/535093773.db2.gz WXSCMKNUNWWKKM-UHFFFAOYSA-N -2 1 336.413 2.867 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1F ZINC000350484906 546027219 /nfs/dbraw/zinc/02/72/19/546027219.db2.gz XILTWBRHXCSEJZ-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1CC ZINC000362714347 546138812 /nfs/dbraw/zinc/13/88/12/546138812.db2.gz DREMYGUIHYNFEA-UHFFFAOYSA-N -2 1 336.413 2.649 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c1 ZINC000677549592 548723753 /nfs/dbraw/zinc/72/37/53/548723753.db2.gz QBIKBBQBAWZHID-UHFFFAOYSA-N -2 1 349.408 2.903 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc2[nH]ncc21 ZINC000766328826 577136585 /nfs/dbraw/zinc/13/65/85/577136585.db2.gz GTIGJPLHPBIPKH-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML O=C(Nc1ccc(F)cc1[O-])c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000768258284 577263383 /nfs/dbraw/zinc/26/33/83/577263383.db2.gz NLFDWVSOMHJTNS-UHFFFAOYSA-N -2 1 331.328 2.721 20 0 EFADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000053200396 597313653 /nfs/dbraw/zinc/31/36/53/597313653.db2.gz YAPHTXXPMIMVCM-UHFFFAOYSA-N -2 1 325.773 2.768 20 0 EFADML CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000737336287 599747401 /nfs/dbraw/zinc/74/74/01/599747401.db2.gz PBTFDUFYYZBGCK-UHFFFAOYSA-N -2 1 348.380 2.632 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1C(=O)[O-] ZINC000738743294 599868997 /nfs/dbraw/zinc/86/89/97/599868997.db2.gz CPMBFAWTSPGHSR-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000013028018 599873892 /nfs/dbraw/zinc/87/38/92/599873892.db2.gz GIPGOGQUUQWBOZ-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000740144425 600093683 /nfs/dbraw/zinc/09/36/83/600093683.db2.gz OODLLPQEMCLTRQ-UHFFFAOYSA-N -2 1 335.356 2.813 20 0 EFADML O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc2ccccc2cc1[O-] ZINC000739721165 600490319 /nfs/dbraw/zinc/49/03/19/600490319.db2.gz CNXAALSXNLNSAJ-HNNXBMFYSA-N -2 1 343.379 2.641 20 0 EFADML CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)[O-] ZINC000736341332 600578220 /nfs/dbraw/zinc/57/82/20/600578220.db2.gz WXERWKHEWOZHEZ-UHFFFAOYSA-N -2 1 345.726 2.500 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000317245133 600635947 /nfs/dbraw/zinc/63/59/47/600635947.db2.gz MRUANKSZXCTBCS-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML CC(C)C[C@H](CNC(=O)c1ccc(Br)cc1[O-])C(=O)[O-] ZINC000094702795 600774098 /nfs/dbraw/zinc/77/40/98/600774098.db2.gz UKHLHKYJVADBEQ-SECBINFHSA-N -2 1 344.205 2.631 20 0 EFADML COc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738107346 600886016 /nfs/dbraw/zinc/88/60/16/600886016.db2.gz YGUDOCXUCPPFED-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML O=C([O-])c1ccnc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000833334168 600983290 /nfs/dbraw/zinc/98/32/90/600983290.db2.gz AIRWAJPPMUGZJS-UHFFFAOYSA-N -2 1 330.365 2.509 20 0 EFADML O=C([O-])CCCc1nnc([N-]C(=O)c2ccc(F)c(F)c2F)s1 ZINC000833232011 601138394 /nfs/dbraw/zinc/13/83/94/601138394.db2.gz IJGCBASYQKGFMV-UHFFFAOYSA-N -2 1 345.302 2.615 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000825957380 601179877 /nfs/dbraw/zinc/17/98/77/601179877.db2.gz UHPCDTCYFLXPEX-CABCVRRESA-N -2 1 334.368 2.572 20 0 EFADML CC(C)c1ncc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2Cl)[n-]1 ZINC000827152492 601207619 /nfs/dbraw/zinc/20/76/19/601207619.db2.gz IKZNAEOTBWAYJU-UHFFFAOYSA-N -2 1 344.776 2.652 20 0 EFADML CC(C)c1nc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2Cl)c[n-]1 ZINC000827152492 601207620 /nfs/dbraw/zinc/20/76/20/601207620.db2.gz IKZNAEOTBWAYJU-UHFFFAOYSA-N -2 1 344.776 2.652 20 0 EFADML Cc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1C(=O)[O-] ZINC000324646536 601291406 /nfs/dbraw/zinc/29/14/06/601291406.db2.gz ASAYDUUAJVCNFI-UHFFFAOYSA-N -2 1 329.356 2.873 20 0 EFADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)cc1 ZINC000013345303 601317117 /nfs/dbraw/zinc/31/71/17/601317117.db2.gz DWWYKMLOTYGXIO-NYYWCZLTSA-N -2 1 345.376 2.788 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1C ZINC000031534121 601321021 /nfs/dbraw/zinc/32/10/21/601321021.db2.gz BDDSOKIEPNMYDH-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000833345169 601384382 /nfs/dbraw/zinc/38/43/82/601384382.db2.gz RTEGRXQIJCSQCG-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML O=C([O-])CC1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCC1 ZINC000094291135 601444868 /nfs/dbraw/zinc/44/48/68/601444868.db2.gz ULJMICHJEJVVNU-UHFFFAOYSA-N -2 1 344.241 2.731 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C)n1 ZINC000321354992 601771103 /nfs/dbraw/zinc/77/11/03/601771103.db2.gz MCOAVWYZXZTMNE-POHAHGRESA-N -2 1 332.381 2.597 20 0 EFADML CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000830265623 601783336 /nfs/dbraw/zinc/78/33/36/601783336.db2.gz HABSUHJHPDCZSL-UHFFFAOYSA-N -2 1 336.413 2.649 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1 ZINC000080307785 601829844 /nfs/dbraw/zinc/82/98/44/601829844.db2.gz HQGYYGRDLUGTQA-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1F ZINC000832950313 601854828 /nfs/dbraw/zinc/85/48/28/601854828.db2.gz IZPWZDXRXNPDGD-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(C)c1 ZINC000832419559 601860954 /nfs/dbraw/zinc/86/09/54/601860954.db2.gz MTBNOOBCJJKHSE-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)[nH]n1 ZINC000829216687 602102321 /nfs/dbraw/zinc/10/23/21/602102321.db2.gz RNBINXAHKPFVFJ-QMMMGPOBSA-N -2 1 341.389 2.714 20 0 EFADML CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)[nH]n1 ZINC000829215344 602102391 /nfs/dbraw/zinc/10/23/91/602102391.db2.gz APZSDXRCCWSKMH-MRVPVSSYSA-N -2 1 343.430 2.874 20 0 EFADML CCCCc1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]n1 ZINC000829430600 602103239 /nfs/dbraw/zinc/10/32/39/602103239.db2.gz GNKJFHSIIZPGEB-JXMROGBWSA-N -2 1 349.412 2.651 20 0 EFADML CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n[nH]1 ZINC000317367775 602305631 /nfs/dbraw/zinc/30/56/31/602305631.db2.gz JLEXLWKQLJXUDQ-UHFFFAOYSA-N -2 1 343.792 2.515 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)cc1C ZINC000833750889 604625638 /nfs/dbraw/zinc/62/56/38/604625638.db2.gz GFAJULCJPFXQIQ-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML O=C([O-])Cc1csc(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000320012737 604666132 /nfs/dbraw/zinc/66/61/32/604666132.db2.gz NSXKTDBQQSFPFC-UHFFFAOYSA-N -2 1 328.349 2.881 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-]CCCCCCC(=O)[O-])c(F)c1 ZINC000819087397 1276601566 /nfs/dbraw/zinc/60/15/66/1276601566.db2.gz GQFLFWWORILSNO-UHFFFAOYSA-N -2 1 335.372 2.587 20 0 EFADML O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316390 1287399564 /nfs/dbraw/zinc/39/95/64/1287399564.db2.gz NWFCUZBVUHVWCM-UHFFFAOYSA-N -2 1 326.721 2.964 20 0 EFADML Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC001175318907 1287401599 /nfs/dbraw/zinc/40/15/99/1287401599.db2.gz KKGRTTQCYZUDGM-UHFFFAOYSA-N -2 1 340.788 2.730 20 0 EFADML C=Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185311984 1290645606 /nfs/dbraw/zinc/64/56/06/1290645606.db2.gz HBBKTGHSPQREOR-UHFFFAOYSA-N -2 1 333.365 2.837 20 0 EFADML CC(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001186144473 1290877068 /nfs/dbraw/zinc/87/70/68/1290877068.db2.gz VPRMQLNBAVTXOD-UHFFFAOYSA-N -2 1 338.360 2.843 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc(F)c1F ZINC001186192876 1290890536 /nfs/dbraw/zinc/89/05/36/1290890536.db2.gz CRLKPUJPMFYISY-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML O=S(=O)([N-]c1cc([O-])c(F)cc1F)C(Cl)(Cl)Cl ZINC001192034526 1292755760 /nfs/dbraw/zinc/75/57/60/1292755760.db2.gz HZFUMOSXWVQQGY-UHFFFAOYSA-N -2 1 326.535 2.740 20 0 EFADML O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1c(F)ccc(F)c1[O-] ZINC001192694117 1292992507 /nfs/dbraw/zinc/99/25/07/1292992507.db2.gz ATYSZKUOHPTBGG-UHFFFAOYSA-N -2 1 331.278 2.814 20 0 EFADML C=Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192725765 1293025832 /nfs/dbraw/zinc/02/58/32/1293025832.db2.gz BDWCGGQKFCQMIY-UHFFFAOYSA-N -2 1 333.365 2.594 20 0 EFADML Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ncc([O-])cc1Cl ZINC001201735019 1297078096 /nfs/dbraw/zinc/07/80/96/1297078096.db2.gz ASSCRRHHFYMLER-UHFFFAOYSA-N -2 1 340.213 2.660 20 0 EFADML CCC(=O)c1ccc([O-])c(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000794625571 1302869608 /nfs/dbraw/zinc/86/96/08/1302869608.db2.gz YQVBKKMYLBQYMD-UHFFFAOYSA-N -2 1 342.380 2.569 20 0 EFADML COC(=O)c1nc2ccc(-c3cc(C(=O)[O-])cc(F)c3C)nc2[n-]1 ZINC001242211970 1314192698 /nfs/dbraw/zinc/19/26/98/1314192698.db2.gz YGLZWDKDTGKVPR-UHFFFAOYSA-N -2 1 329.287 2.557 20 0 EFADML CCOC(=O)c1nc2ccc(-c3cc(C(=O)[O-])cnc3F)cc2[n-]1 ZINC001244761920 1314409659 /nfs/dbraw/zinc/40/96/59/1314409659.db2.gz CDCGFIXIOLSXSZ-UHFFFAOYSA-N -2 1 329.287 2.639 20 0 EFADML CCOC(=O)c1nc2cc(-c3cc(C(=O)[O-])cnc3F)ccc2[n-]1 ZINC001244761920 1314409660 /nfs/dbraw/zinc/40/96/60/1314409660.db2.gz CDCGFIXIOLSXSZ-UHFFFAOYSA-N -2 1 329.287 2.639 20 0 EFADML O=C([O-])CCC(=O)Nc1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001213185260 1314518379 /nfs/dbraw/zinc/51/83/79/1314518379.db2.gz SKGBCKGNNNAUSS-UHFFFAOYSA-N -2 1 335.747 2.988 20 0 EFADML COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(Cl)c([O-])c1F ZINC001214801289 1314739267 /nfs/dbraw/zinc/73/92/67/1314739267.db2.gz HYOOLANRAPIISA-UHFFFAOYSA-N -2 1 346.767 2.576 20 0 EFADML CCOC(=O)c1nnsc1[N-]c1ccc(C(=O)[O-])cc1Cl ZINC001248548608 1314943301 /nfs/dbraw/zinc/94/33/01/1314943301.db2.gz GJUPGFHXDPUKDC-UHFFFAOYSA-N -2 1 327.749 2.810 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(C(=O)[O-])c2C)c1 ZINC001216660280 1314989025 /nfs/dbraw/zinc/98/90/25/1314989025.db2.gz IKZKUJHSXQNFHA-UHFFFAOYSA-N -2 1 335.381 2.936 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1F ZINC000749142097 1315101162 /nfs/dbraw/zinc/10/11/62/1315101162.db2.gz OUYTYBJEUAWQHP-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML COc1ccc(Nc2cc([O-])c(F)c(F)c2F)c(S(=O)(=O)[O-])c1 ZINC001249965037 1315160767 /nfs/dbraw/zinc/16/07/67/1315160767.db2.gz SDYVUTYPJVKLOT-UHFFFAOYSA-N -2 1 349.286 2.808 20 0 EFADML CCCCS(=O)(=O)[N-]c1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001253854758 1315648507 /nfs/dbraw/zinc/64/85/07/1315648507.db2.gz GNCVASVKNKMPCF-UHFFFAOYSA-N -2 1 343.426 2.628 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccccc2[S-])c(OC)c1 ZINC001258958698 1316197302 /nfs/dbraw/zinc/19/73/02/1316197302.db2.gz OZCMRYOVHQLPLE-UHFFFAOYSA-N -2 1 325.411 2.793 20 0 EFADML CN1CCCc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc21 ZINC001260189686 1316321309 /nfs/dbraw/zinc/32/13/09/1316321309.db2.gz WZDQGQULWJCZAT-UHFFFAOYSA-N -2 1 346.408 2.568 20 0 EFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](O)CCC3)c1 ZINC001260190421 1316321846 /nfs/dbraw/zinc/32/18/46/1316321846.db2.gz KGOKBGPGJSNEED-INIZCTEOSA-N -2 1 347.392 2.555 20 0 EFADML CCC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001260227338 1316324167 /nfs/dbraw/zinc/32/41/67/1316324167.db2.gz CJOSIWBCLMCDAM-UHFFFAOYSA-N -2 1 333.365 2.778 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3cccc(F)c3c2)cc1 ZINC001260222308 1316324297 /nfs/dbraw/zinc/32/42/97/1316324297.db2.gz VKYAEUJFIDZJAV-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML CC(C)Oc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260228206 1316324754 /nfs/dbraw/zinc/32/47/54/1316324754.db2.gz KQVYXOYLFPUOQG-UHFFFAOYSA-N -2 1 335.381 2.973 20 0 EFADML O=S(=O)([N-][C@H]1[CH]CC=C1)c1cc(Br)c(Cl)s1 ZINC001260495281 1316342374 /nfs/dbraw/zinc/34/23/74/1316342374.db2.gz WKFQQBLWUKVOHX-ZCFIWIBFSA-N -2 1 341.659 2.975 20 0 EFADML Cc1cccc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])CCC2)c1 ZINC000826296666 1428269263 /nfs/dbraw/zinc/26/92/63/1428269263.db2.gz FGEXTBZGRDNWCK-UHFFFAOYSA-N -2 1 349.394 2.941 20 0 EFADML O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)ccc1[O-] ZINC000738167782 1429196303 /nfs/dbraw/zinc/19/63/03/1429196303.db2.gz VEZBXULBFZPJIQ-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML Cc1cccc2[nH]cc(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])c21 ZINC000822331311 1429199440 /nfs/dbraw/zinc/19/94/40/1429199440.db2.gz CSJUTZUCXHKHQM-UHFFFAOYSA-N -2 1 348.366 2.543 20 0 EFADML Cc1[nH]c2c(cccc2C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c1C ZINC000826233010 1429311136 /nfs/dbraw/zinc/31/11/36/1429311136.db2.gz QMGFSMRRJDLVCQ-UHFFFAOYSA-N -2 1 348.366 2.923 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000058306862 1424452479 /nfs/dbraw/zinc/45/24/79/1424452479.db2.gz IEXUOYNPTKJDBB-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML CC(C)(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000824163158 1424471709 /nfs/dbraw/zinc/47/17/09/1424471709.db2.gz ZVAGAKMMTOTAJX-UHFFFAOYSA-N -2 1 337.383 2.780 20 0 EFADML Cc1cc2[nH]c(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])cc2c(C)c1 ZINC000822195055 1424632388 /nfs/dbraw/zinc/63/23/88/1424632388.db2.gz FPODFSXBLVETPG-UHFFFAOYSA-N -2 1 348.366 2.923 20 0 EFADML Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000737301138 1425030214 /nfs/dbraw/zinc/03/02/14/1425030214.db2.gz IUBHASLZKFMIBK-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000737301138 1425030221 /nfs/dbraw/zinc/03/02/21/1425030221.db2.gz IUBHASLZKFMIBK-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1nc(NC(=O)CCCc2nnn[n-]2)sc1-c1ccccc1 ZINC000874090457 1426687705 /nfs/dbraw/zinc/68/77/05/1426687705.db2.gz CVJJLMFGQIYJPF-UHFFFAOYSA-N -2 1 328.401 2.593 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826303984 1427202079 /nfs/dbraw/zinc/20/20/79/1427202079.db2.gz PUBXLUJXPVCCDB-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1c(F)cccc1Cl ZINC000826450855 1441497444 /nfs/dbraw/zinc/49/74/44/1441497444.db2.gz GTBWDCMMAYOHQU-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(F)cc1 ZINC000824064962 1443358973 /nfs/dbraw/zinc/35/89/73/1443358973.db2.gz QFEOHDZWZAKESU-UHFFFAOYSA-N -2 1 341.346 2.628 20 0 EFADML Cc1ccc2[nH]c(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])cc2c1C ZINC000822271048 1443394210 /nfs/dbraw/zinc/39/42/10/1443394210.db2.gz KFSUFMBTYOOPLL-UHFFFAOYSA-N -2 1 348.366 2.923 20 0 EFADML Cc1ccc2c(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])coc2c1 ZINC000826293702 1446090239 /nfs/dbraw/zinc/09/02/39/1446090239.db2.gz YUZQXRJBZHTZOU-UHFFFAOYSA-N -2 1 349.350 2.808 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000823386987 1446488069 /nfs/dbraw/zinc/48/80/69/1446488069.db2.gz AISFMXDUEVSONG-XGXWUAJZSA-N -2 1 325.353 2.591 20 0 EFADML CC(C)(C)SCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000824124275 1446627412 /nfs/dbraw/zinc/62/74/12/1446627412.db2.gz RXMLRNYDQWECBF-UHFFFAOYSA-N -2 1 335.433 2.823 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000826461357 1449100127 /nfs/dbraw/zinc/10/01/27/1449100127.db2.gz RAOQOJAKIBTZNL-YMBWGVAGSA-N -2 1 325.353 2.591 20 0 EFADML CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])C1(C)C ZINC000820005648 1450505916 /nfs/dbraw/zinc/50/59/16/1450505916.db2.gz VGURIQLQJSELFA-FZMZJTMJSA-N -2 1 327.388 2.749 20 0 EFADML COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000323670497 716002032 /nfs/dbraw/zinc/00/20/32/716002032.db2.gz FEWAYCNQNZILNU-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML O=C([O-])C[C@@H]1CCCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000909497229 723790501 /nfs/dbraw/zinc/79/05/01/723790501.db2.gz BUAXIWKVKVNSDO-JTQLQIEISA-N -2 1 332.331 2.549 20 0 EFADML COc1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc(Cl)c1[O-] ZINC000909520282 724091741 /nfs/dbraw/zinc/09/17/41/724091741.db2.gz WNLCLMWBDCOLNY-UHFFFAOYSA-N -2 1 341.791 2.962 20 0 EFADML O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000909669522 725505784 /nfs/dbraw/zinc/50/57/84/725505784.db2.gz RFZYXEXTTVRQHY-ZETCQYMHSA-N -2 1 345.195 2.546 20 0 EFADML CCOc1cc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc(Cl)c1[O-] ZINC000910045491 727407826 /nfs/dbraw/zinc/40/78/26/727407826.db2.gz XBNYGHZAXYSADE-LBPRGKRZSA-N -2 1 341.791 2.914 20 0 EFADML O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2ccc([O-])c(F)c2)n1 ZINC000910108005 727412958 /nfs/dbraw/zinc/41/29/58/727412958.db2.gz DNEXWCVTVFVCIQ-NSHDSACASA-N -2 1 336.344 2.663 20 0 EFADML COc1cc(F)cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000323729609 971032651 /nfs/dbraw/zinc/03/26/51/971032651.db2.gz YUQCWQHWEPCXPQ-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML O=C([O-])c1ccnc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC001595263610 949717889 /nfs/dbraw/zinc/71/78/89/949717889.db2.gz JDMMWZJBMAWZBP-UHFFFAOYSA-N -2 1 326.230 2.757 20 0 EFADML CC(C)[C@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)C(=O)[O-] ZINC001602984126 972008607 /nfs/dbraw/zinc/00/86/07/972008607.db2.gz RJZKAUADZKOMBL-NSHDSACASA-N -2 1 336.775 2.680 20 0 EFADML O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1c([O-])cccc1Cl ZINC001594962467 955024965 /nfs/dbraw/zinc/02/49/65/955024965.db2.gz FLUNDEWRJKUIJT-HNNXBMFYSA-N -2 1 331.755 2.870 20 0 EFADML CC(C)C[C@H](CNC(=O)Cc1ccc([O-])c(Cl)c1)CC(=O)[O-] ZINC001603042472 972106011 /nfs/dbraw/zinc/10/60/11/972106011.db2.gz PXMXGWBIXZNEGA-LBPRGKRZSA-N -2 1 327.808 2.841 20 0 EFADML CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC000844784164 955677941 /nfs/dbraw/zinc/67/79/41/955677941.db2.gz HGUDDSYFXFHSOU-LURJTMIESA-N -2 1 344.191 2.522 20 0 EFADML O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC000864500532 955985207 /nfs/dbraw/zinc/98/52/07/955985207.db2.gz BGPYZXQSGXKAHO-OCAPTIKFSA-N -2 1 345.829 2.696 20 0 EFADML O=C([O-])c1cccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000900987869 956302861 /nfs/dbraw/zinc/30/28/61/956302861.db2.gz HJITZCXDTABZRH-UHFFFAOYSA-N -2 1 326.352 2.585 20 0 EFADML O=C(C=Cc1ccc(C(=O)[O-])o1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001594674631 956647832 /nfs/dbraw/zinc/64/78/32/956647832.db2.gz QUBYHTYVEDAEDQ-VURMDHGXSA-N -2 1 339.307 2.521 20 0 EFADML O=C([O-])C1CCC(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC001594729931 957031651 /nfs/dbraw/zinc/03/16/51/957031651.db2.gz GRZKCWPOYVUJAO-UHFFFAOYSA-N -2 1 348.786 2.967 20 0 EFADML O=C([O-])COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-] ZINC000068042071 957645989 /nfs/dbraw/zinc/64/59/89/957645989.db2.gz JGBFKXFGWAZUAL-LREOWRDNSA-N -2 1 343.291 2.660 20 0 EFADML O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000072636491 957734378 /nfs/dbraw/zinc/73/43/78/957734378.db2.gz VKCANQUHPUGBSU-UHFFFAOYSA-N -2 1 349.261 2.742 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(F)c1 ZINC000072636505 957734416 /nfs/dbraw/zinc/73/44/16/957734416.db2.gz LSCXUXOAARURCF-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML O=C([O-])c1ccc(CNC(=O)c2c([O-])cnc3c(F)cccc32)cc1 ZINC001574800471 957833179 /nfs/dbraw/zinc/83/31/79/957833179.db2.gz NUWBMDWAQSCHFK-UHFFFAOYSA-N -2 1 340.310 2.708 20 0 EFADML O=C([O-])c1ccc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])cc1 ZINC001574973197 957960658 /nfs/dbraw/zinc/96/06/58/957960658.db2.gz CCEXKMFPSSNASD-UHFFFAOYSA-N -2 1 337.331 2.879 20 0 EFADML COc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc(Cl)c1[O-] ZINC001594050524 957981953 /nfs/dbraw/zinc/98/19/53/957981953.db2.gz HVCCIAYWCPDFPD-UHFFFAOYSA-N -2 1 335.743 2.934 20 0 EFADML Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000132569968 958789600 /nfs/dbraw/zinc/78/96/00/958789600.db2.gz AQDTXUPLFNLMCJ-UHFFFAOYSA-N -2 1 328.777 2.784 20 0 EFADML Cc1cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)ccc1C(=O)[O-] ZINC001574341480 960942289 /nfs/dbraw/zinc/94/22/89/960942289.db2.gz VOBJITBVYXVORN-UHFFFAOYSA-N -2 1 349.346 2.900 20 0 EFADML O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccc(F)cc1 ZINC001574621338 962251670 /nfs/dbraw/zinc/25/16/70/962251670.db2.gz OTLADFZAOSSEFP-ZDUSSCGKSA-N -2 1 341.260 2.999 20 0 EFADML Cc1cccc(C[C@@H](CNC(=O)c2cccc([O-])c2F)C(=O)[O-])c1 ZINC001571196410 962316223 /nfs/dbraw/zinc/31/62/23/962316223.db2.gz MTGMVCDBIYUBIQ-ZDUSSCGKSA-N -2 1 331.343 2.513 20 0 EFADML CCC(CC)(CNC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)[O-] ZINC001571217795 962523467 /nfs/dbraw/zinc/52/34/67/962523467.db2.gz PAROWPCZTITPRC-UHFFFAOYSA-N -2 1 334.347 2.700 20 0 EFADML CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)C1CCCC1 ZINC001571228721 962608325 /nfs/dbraw/zinc/60/83/25/962608325.db2.gz GTZXBNYQVCIPOV-JTQLQIEISA-N -2 1 335.809 2.878 20 0 EFADML C[C@](CC(=O)[O-])(NC(=O)c1cc(Cl)ccc1[O-])c1cccnc1 ZINC001571229919 962623311 /nfs/dbraw/zinc/62/33/11/962623311.db2.gz XGJYXTDVFMXAGL-MRXNPFEDSA-N -2 1 334.759 2.561 20 0 EFADML C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001573345135 962927317 /nfs/dbraw/zinc/92/73/17/962927317.db2.gz ICOLMQKCLAYTBF-UHFFFAOYSA-N -2 1 344.298 2.606 20 0 EFADML O=C([O-])COc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000314778165 963809540 /nfs/dbraw/zinc/80/95/40/963809540.db2.gz SVJFUJKJRAUKLQ-UHFFFAOYSA-N -2 1 341.772 2.604 20 0 EFADML CN(Cc1ccc(C(=O)[O-])cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000322145520 968017395 /nfs/dbraw/zinc/01/73/95/968017395.db2.gz XPUQFFUJACBLBI-UHFFFAOYSA-N -2 1 329.381 2.727 20 0 EFADML CC(C)C[C@H](CNC(=O)NCc1ccc([O-])c(Cl)c1)C(=O)[O-] ZINC000874404497 969384026 /nfs/dbraw/zinc/38/40/26/969384026.db2.gz HBLWPJGUIUNTIH-LLVKDONJSA-N -2 1 328.796 2.592 20 0 EFADML Cc1oc(C)c(S(=O)(=O)[N-]c2c(C)cccc2F)c1C(=O)[O-] ZINC000317216173 970338062 /nfs/dbraw/zinc/33/80/62/970338062.db2.gz SGHMGGJZAZSBGC-UHFFFAOYSA-N -2 1 327.333 2.843 20 0 EFADML O=C([O-])c1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)ccn1 ZINC001605869221 972636583 /nfs/dbraw/zinc/63/65/83/972636583.db2.gz XXTBASOTYHJSIE-UHFFFAOYSA-N -2 1 326.230 2.757 20 0 EFADML Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[O-])C(=O)[O-])cc1 ZINC000738567496 978562461 /nfs/dbraw/zinc/56/24/61/978562461.db2.gz OLOVGXSCFUUYSQ-AWEZNQCLSA-N -2 1 333.771 2.952 20 0 EFADML CCC(CC)(CC(=O)[O-])C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC001595048804 979269257 /nfs/dbraw/zinc/26/92/57/979269257.db2.gz MUOFAJKLVYWZNA-UHFFFAOYSA-N -2 1 348.351 2.823 20 0 EFADML CC[C@](CNC(=O)c1c([O-])cccc1F)(C(=O)[O-])c1ccccc1 ZINC001595159685 979677310 /nfs/dbraw/zinc/67/73/10/979677310.db2.gz GTNOXAAIBFVDPO-GOSISDBHSA-N -2 1 331.343 2.694 20 0 EFADML CCC(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595216757 980017903 /nfs/dbraw/zinc/01/79/03/980017903.db2.gz MMHSGLYTRUUZRC-SECBINFHSA-N -2 1 325.233 2.993 20 0 EFADML CC[C@@](NC(=O)c1ncc(C)cc1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595277691 980308025 /nfs/dbraw/zinc/30/80/25/980308025.db2.gz YCCGLATYPNPIRZ-KRWDZBQOSA-N -2 1 348.786 2.869 20 0 EFADML CCC1([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CCCC1 ZINC001595392337 980951608 /nfs/dbraw/zinc/95/16/08/980951608.db2.gz UNJUSQIFVDMORJ-UHFFFAOYSA-N -2 1 333.356 2.664 20 0 EFADML CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001595435758 981066264 /nfs/dbraw/zinc/06/62/64/981066264.db2.gz MPHNTJUBYODXIQ-GXSJLCMTSA-N -2 1 347.383 2.910 20 0 EFADML C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001588661521 983786769 /nfs/dbraw/zinc/78/67/69/983786769.db2.gz LNALRAFSIHQPJN-UHFFFAOYSA-N -2 1 340.335 2.776 20 0 EFADML Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2F)c(C)c1C(=O)[O-] ZINC001599948319 985567120 /nfs/dbraw/zinc/56/71/20/985567120.db2.gz MMRJMMDYYGARPT-SECBINFHSA-N -2 1 349.314 2.603 20 0 EFADML CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001589704300 987809714 /nfs/dbraw/zinc/80/97/14/987809714.db2.gz IUNGVUCSLBMUNR-AWEZNQCLSA-N -2 1 331.368 2.870 20 0 EFADML CSc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccn1 ZINC001599809385 988307111 /nfs/dbraw/zinc/30/71/11/988307111.db2.gz GKHKBABFDLZWCU-UHFFFAOYSA-N -2 1 338.410 2.611 20 0 EFADML CSc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1C ZINC001599809956 988316860 /nfs/dbraw/zinc/31/68/60/988316860.db2.gz WOXNCBDUWFUNSJ-UHFFFAOYSA-N -2 1 340.426 2.554 20 0 EFADML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC001597578642 988374760 /nfs/dbraw/zinc/37/47/60/988374760.db2.gz ISDZWMYIXKFZTB-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML CSc1ncc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(=O)[n-]1 ZINC001599828806 988638322 /nfs/dbraw/zinc/63/83/22/988638322.db2.gz BYSJCMNAXBFOFR-UHFFFAOYSA-N -2 1 339.760 2.508 20 0 EFADML CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001598510016 992558695 /nfs/dbraw/zinc/55/86/95/992558695.db2.gz OIOCLFGEFKVXNZ-UHFFFAOYSA-N -2 1 333.771 2.945 20 0 EFADML C[C@@H](NC(=O)c1cccc([O-])c1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593175508 994046375 /nfs/dbraw/zinc/04/63/75/994046375.db2.gz ORVOHPSRHZUXQE-BXUZGUMPSA-N -2 1 331.343 2.593 20 0 EFADML C[C@@H](NC(=O)c1cccc([O-])c1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593175510 994046591 /nfs/dbraw/zinc/04/65/91/994046591.db2.gz ORVOHPSRHZUXQE-RISCZKNCSA-N -2 1 331.343 2.593 20 0 EFADML C[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1ncc(C(=O)[O-])s1 ZINC001593188898 994105905 /nfs/dbraw/zinc/10/59/05/994105905.db2.gz JIWBKLZKJIEEIU-QMMMGPOBSA-N -2 1 343.364 2.586 20 0 EFADML COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001599280856 996895048 /nfs/dbraw/zinc/89/50/48/996895048.db2.gz KSLJQNXSRHPTFP-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML COCc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC001599295289 997129234 /nfs/dbraw/zinc/12/92/34/997129234.db2.gz TUKKMQJQOHTJGC-LBPRGKRZSA-N -2 1 349.408 2.822 20 0 EFADML C[C@]1(NC(=O)c2c([O-])cnc3c(F)cccc32)CCCC[C@@H]1C(=O)[O-] ZINC001594055766 997789671 /nfs/dbraw/zinc/78/96/71/997789671.db2.gz IFULWZJBVDGLKV-ZMZPIMSZSA-N -2 1 346.358 2.843 20 0 EFADML COc1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)ccc1C(=O)[O-] ZINC001599459686 998250974 /nfs/dbraw/zinc/25/09/74/998250974.db2.gz NIXFGBMNJPLMCC-UHFFFAOYSA-N -2 1 346.364 2.676 20 0 EFADML C[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001594361872 999367655 /nfs/dbraw/zinc/36/76/55/999367655.db2.gz OBXMCOTZIOAORT-AMIZOPFISA-N -2 1 335.809 2.878 20 0 EFADML C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H](C(=O)[O-])C1 ZINC001594410124 999530512 /nfs/dbraw/zinc/53/05/12/999530512.db2.gz JYPBTGDEIUNDPQ-GZMMTYOYSA-N -2 1 331.290 2.736 20 0 EFADML C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H](C(=O)[O-])C1 ZINC001594410126 999530596 /nfs/dbraw/zinc/53/05/96/999530596.db2.gz JYPBTGDEIUNDPQ-KWQFWETISA-N -2 1 331.290 2.736 20 0 EFADML CC(C)(C)CC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001589122554 1093037718 /nfs/dbraw/zinc/03/77/18/1093037718.db2.gz CHUCTFMRHDRGHI-VIFPVBQESA-N -2 1 338.799 2.607 20 0 EFADML CC(C)(C)CC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)[O-] ZINC001589122554 1093037727 /nfs/dbraw/zinc/03/77/27/1093037727.db2.gz CHUCTFMRHDRGHI-VIFPVBQESA-N -2 1 338.799 2.607 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211602012 1093539478 /nfs/dbraw/zinc/53/94/78/1093539478.db2.gz VWUSGOPOUUERPQ-UHFFFAOYSA-N -2 1 335.381 2.936 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001211622827 1094374743 /nfs/dbraw/zinc/37/47/43/1094374743.db2.gz NEUOJAAVEKBAPA-UHFFFAOYSA-N -2 1 335.381 2.936 20 0 EFADML O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001594984624 1094448585 /nfs/dbraw/zinc/44/85/85/1094448585.db2.gz QNOWWPXTAIVZLR-SNVBAGLBSA-N -2 1 331.290 2.880 20 0 EFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600022826 1094726244 /nfs/dbraw/zinc/72/62/44/1094726244.db2.gz RNQQPCLNVZLKAL-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1O ZINC001600163500 1094828497 /nfs/dbraw/zinc/82/84/97/1094828497.db2.gz MFJCTBNYKHMWIE-YVMONPNESA-N -2 1 347.392 2.908 20 0 EFADML Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c(C(=O)[O-])[nH]1 ZINC001600275600 1094937418 /nfs/dbraw/zinc/93/74/18/1094937418.db2.gz WXPNHJYVLVUAAY-UHFFFAOYSA-N -2 1 328.246 2.998 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ncc(C(=O)[O-])cc2Cl)c(C)s1 ZINC001600301419 1094953905 /nfs/dbraw/zinc/95/39/05/1094953905.db2.gz HATJPMJCKMNZRO-UHFFFAOYSA-N -2 1 346.817 2.912 20 0 EFADML Cc1cnc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c([O-])c1 ZINC001600615905 1095212858 /nfs/dbraw/zinc/21/28/58/1095212858.db2.gz BUYALIRBLCVXOJ-QGZVFWFLSA-N -2 1 348.786 2.565 20 0 EFADML Cc1csc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1C(=O)[O-] ZINC001600662896 1095245590 /nfs/dbraw/zinc/24/55/90/1095245590.db2.gz PBPAKIPZNYISGX-UHFFFAOYSA-N -2 1 347.364 2.975 20 0 EFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001600689277 1095262920 /nfs/dbraw/zinc/26/29/20/1095262920.db2.gz YSNPJTIJQBRLMC-CYBMUJFWSA-N -2 1 349.431 2.625 20 0 EFADML Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001600910306 1095422577 /nfs/dbraw/zinc/42/25/77/1095422577.db2.gz GNPOUPNZTWFDLC-AWEZNQCLSA-N -2 1 346.358 2.935 20 0 EFADML Nc1c([N-]S(=O)(=O)c2cccc3ccccc32)cccc1C(=O)[O-] ZINC001601209458 1095554240 /nfs/dbraw/zinc/55/42/40/1095554240.db2.gz OVEDUMUFMQDEJW-UHFFFAOYSA-N -2 1 342.376 2.921 20 0 EFADML O=C([O-])c1ccc(CNC(=O)Cc2ccc([O-])c(Cl)c2)c(F)c1 ZINC001601361617 1095635171 /nfs/dbraw/zinc/63/51/71/1095635171.db2.gz PPSYGGJLQURZLV-UHFFFAOYSA-N -2 1 337.734 2.742 20 0 EFADML O=C([O-])[C@H](NC(=O)c1c([O-])cccc1Cl)c1cc(F)ccc1F ZINC001601397291 1095654245 /nfs/dbraw/zinc/65/42/45/1095654245.db2.gz PNCFMLCDCHSEJM-CYBMUJFWSA-N -2 1 341.697 2.880 20 0 EFADML O=C([O-])[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc2ccccc21 ZINC001601398027 1095654766 /nfs/dbraw/zinc/65/47/66/1095654766.db2.gz RDYDECGGTPNRNY-QGZVFWFLSA-N -2 1 349.342 2.670 20 0 EFADML O=C([O-])[C@@H](CNC(=O)c1ncc2ccccc2c1[O-])c1ccccc1 ZINC001601455268 1095681995 /nfs/dbraw/zinc/68/19/95/1095681995.db2.gz PMROJQDLGREBFR-HNNXBMFYSA-N -2 1 336.347 2.539 20 0 EFADML O=C([O-])[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])CC1CC1 ZINC001601458704 1095685936 /nfs/dbraw/zinc/68/59/36/1095685936.db2.gz NAIKCJURXFWVHR-VIFPVBQESA-N -2 1 331.290 2.642 20 0 EFADML O=C([O-])c1ccc(NC(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001601508781 1095709791 /nfs/dbraw/zinc/70/97/91/1095709791.db2.gz VATOQTLZISLQKA-UHFFFAOYSA-N -2 1 336.294 2.733 20 0 EFADML O=C([O-])c1ccc(CCNC(=O)NCc2ccc([O-])c(Cl)c2)cc1 ZINC001601510802 1095710207 /nfs/dbraw/zinc/71/02/07/1095710207.db2.gz DQERGGVMHKFTAH-UHFFFAOYSA-N -2 1 348.786 2.786 20 0 EFADML O=C([O-])c1ccc(CNC(=O)c2cc(Cl)ccc2[O-])nc1C1CC1 ZINC001601533070 1095720932 /nfs/dbraw/zinc/72/09/32/1095720932.db2.gz GRQVEYVXYNEFPV-UHFFFAOYSA-N -2 1 346.770 2.946 20 0 EFADML O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Br)c([O-])c2)C1 ZINC001601805016 1095910581 /nfs/dbraw/zinc/91/05/81/1095910581.db2.gz WEOCMWBQWPAEOQ-DTWKUNHWSA-N -2 1 342.189 2.984 20 0 EFADML O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001601810829 1095915399 /nfs/dbraw/zinc/91/53/99/1095915399.db2.gz GTOQFGJALVRNHD-LLVKDONJSA-N -2 1 331.290 2.880 20 0 EFADML O=C([O-])[C@H]1CN(C(=O)c2c([O-])cccc2Cl)Cc2ccccc21 ZINC001601845836 1095932392 /nfs/dbraw/zinc/93/23/92/1095932392.db2.gz SUTLCIUBNPPCEE-LBPRGKRZSA-N -2 1 331.755 2.870 20 0 EFADML O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)O1 ZINC001602036246 1096029299 /nfs/dbraw/zinc/02/92/99/1096029299.db2.gz QAWHUYWPVLEEGJ-JVXZTZIISA-N -2 1 331.727 2.536 20 0 EFADML O=C([O-])CN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)CC1CC1 ZINC001602058192 1096045760 /nfs/dbraw/zinc/04/57/60/1096045760.db2.gz NFGTVHMXUWUKLU-UHFFFAOYSA-N -2 1 329.352 2.941 20 0 EFADML O=C([O-])COc1ccccc1CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001602095308 1096058228 /nfs/dbraw/zinc/05/82/28/1096058228.db2.gz OUFOEGFDAMSVEJ-UHFFFAOYSA-N -2 1 339.351 2.653 20 0 EFADML O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC001602128395 1096080004 /nfs/dbraw/zinc/08/00/04/1096080004.db2.gz KJCYJDLERDHXHK-UHFFFAOYSA-N -2 1 331.393 2.992 20 0 EFADML O=C([O-])[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1C1CC1 ZINC001602185779 1096107885 /nfs/dbraw/zinc/10/78/85/1096107885.db2.gz KUIWRBOMSKYOIW-JKSUJKDBSA-N -2 1 325.364 2.728 20 0 EFADML O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)c1F ZINC001602273176 1096153417 /nfs/dbraw/zinc/15/34/17/1096153417.db2.gz PFQQMUTUNDTSCL-CQSZACIVSA-N -2 1 345.367 2.520 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC3CCC2CC3)oc1Cl ZINC001602296483 1096164623 /nfs/dbraw/zinc/16/46/23/1096164623.db2.gz XKUVRBKNZGQYHL-RTBKNWGFSA-N -2 1 347.820 2.736 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC3CCC2CC3)oc1Cl ZINC001602296484 1096164682 /nfs/dbraw/zinc/16/46/82/1096164682.db2.gz XKUVRBKNZGQYHL-UDNWOFFPSA-N -2 1 347.820 2.736 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]CCCC2CCCC2)oc1Cl ZINC001602295603 1096165154 /nfs/dbraw/zinc/16/51/54/1096165154.db2.gz QETBAJPRURPDNH-UHFFFAOYSA-N -2 1 335.809 2.880 20 0 EFADML O=C([O-])c1ccc(C(=O)Nc2ccc(Br)c([O-])c2)o1 ZINC001602325584 1096180360 /nfs/dbraw/zinc/18/03/60/1096180360.db2.gz XQBBPWDNHYJTIY-UHFFFAOYSA-N -2 1 326.102 2.698 20 0 EFADML O=C([O-])c1ccc(CS(=O)(=O)[N-]c2ccc3ccccc3n2)cc1 ZINC001602357635 1096202378 /nfs/dbraw/zinc/20/23/78/1096202378.db2.gz SHFKIRVOLXQOLW-UHFFFAOYSA-N -2 1 342.376 2.875 20 0 EFADML O=C([O-])c1cccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC001602433969 1096243105 /nfs/dbraw/zinc/24/31/05/1096243105.db2.gz ZNNZMFGAYIEEAY-UHFFFAOYSA-N -2 1 340.287 2.554 20 0 EFADML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2F)c1Cl ZINC001602447108 1096248863 /nfs/dbraw/zinc/24/88/63/1096248863.db2.gz OSPMSOPQRZAVAO-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML O=C([O-])c1ccccc1CC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001602466586 1096261040 /nfs/dbraw/zinc/26/10/40/1096261040.db2.gz AUPBTXXHEPMHDF-UHFFFAOYSA-N -2 1 340.379 2.580 20 0 EFADML O=C([O-])c1ccnc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001602483650 1096269675 /nfs/dbraw/zinc/26/96/75/1096269675.db2.gz YJNOTEXAEFFQID-UHFFFAOYSA-N -2 1 344.751 2.514 20 0 EFADML O=C([O-])[C@@H](OC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccsc1 ZINC001602605432 1096319106 /nfs/dbraw/zinc/31/91/06/1096319106.db2.gz NLTWHPNLQMZKDW-AWEZNQCLSA-N -2 1 344.348 2.622 20 0 EFADML CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC001603073942 1096433627 /nfs/dbraw/zinc/43/36/27/1096433627.db2.gz CDQGFAGIFGZFKN-JTQLQIEISA-N -2 1 342.351 2.791 20 0 EFADML C[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC001603212498 1096473918 /nfs/dbraw/zinc/47/39/18/1096473918.db2.gz BMVDWMRLAWJIQF-LLVKDONJSA-N -2 1 347.392 2.706 20 0 EFADML CC(C)c1ccc(-n2cc([O-])c(C(=O)O[C@H](C(=O)[O-])C3CC3)n2)cc1 ZINC001603993493 1096689961 /nfs/dbraw/zinc/68/99/61/1096689961.db2.gz HXPLUDPBZYUAEU-INIZCTEOSA-N -2 1 344.367 2.721 20 0 EFADML CC(C)c1ccc(-n2cc([O-])c(C(=O)O[C@@H](C(=O)[O-])C3CC3)n2)cc1 ZINC001603993494 1096690053 /nfs/dbraw/zinc/69/00/53/1096690053.db2.gz HXPLUDPBZYUAEU-MRXNPFEDSA-N -2 1 344.367 2.721 20 0 EFADML C[C@@](CC(=O)[O-])(NC(=O)c1cc(F)ccc1[O-])c1cccc(F)c1 ZINC001604084646 1096726506 /nfs/dbraw/zinc/72/65/06/1096726506.db2.gz FDUJXVAUHYOGAU-KRWDZBQOSA-N -2 1 335.306 2.790 20 0 EFADML C[C@H](CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1)C(=O)[O-] ZINC001604152476 1096754671 /nfs/dbraw/zinc/75/46/71/1096754671.db2.gz IJINCJVGZFGJQS-MRVPVSSYSA-N -2 1 331.290 2.736 20 0 EFADML C[C@H](NC(=O)c1c(F)ccc([O-])c1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604307084 1096800481 /nfs/dbraw/zinc/80/04/81/1096800481.db2.gz LVLCZNUDVNWPFX-CMPLNLGQSA-N -2 1 349.333 2.732 20 0 EFADML C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(C(=O)[O-])co1 ZINC001604458380 1096865017 /nfs/dbraw/zinc/86/50/17/1096865017.db2.gz VSXJZKNHFYYCJJ-SCSAIBSYSA-N -2 1 335.263 2.741 20 0 EFADML CC1(C)CCC[C@@]([N-]S(=O)(=O)c2cc(F)ccc2F)(C(=O)[O-])C1 ZINC001604530388 1096894598 /nfs/dbraw/zinc/89/45/98/1096894598.db2.gz QHPQECUTUBTUPM-HNNXBMFYSA-N -2 1 347.383 2.667 20 0 EFADML C[C@@H]1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C[C@@H](C)C1 ZINC001604654647 1096924882 /nfs/dbraw/zinc/92/48/82/1096924882.db2.gz GPBYEDCMEMMNEU-YUMQZZPRSA-N -2 1 335.809 2.734 20 0 EFADML C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C[C@H]1C ZINC001604706632 1096936131 /nfs/dbraw/zinc/93/61/31/1096936131.db2.gz PABFTJAXEAPAGU-FXPVBKGRSA-N -2 1 347.383 2.766 20 0 EFADML CCC(CC)(C(=O)[O-])C(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC001604986849 1096994185 /nfs/dbraw/zinc/99/41/85/1096994185.db2.gz BUEVSJDVBYGBDJ-UHFFFAOYSA-N -2 1 338.429 2.920 20 0 EFADML CC[C@@](CNC(=O)c1c(F)ccc([O-])c1F)(C(=O)[O-])c1ccccc1 ZINC001605036024 1097007655 /nfs/dbraw/zinc/00/76/55/1097007655.db2.gz YUZCYGXMJNFVGB-SFHVURJKSA-N -2 1 349.333 2.833 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC001605824131 1097239290 /nfs/dbraw/zinc/23/92/90/1097239290.db2.gz WPONPUTULMORDS-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2N(C)C)c1 ZINC001605831492 1097242532 /nfs/dbraw/zinc/24/25/32/1097242532.db2.gz CODYHZLGFYFPMI-UHFFFAOYSA-N -2 1 348.424 2.814 20 0 EFADML CC(C)c1cnc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc1 ZINC001167932356 1097317030 /nfs/dbraw/zinc/31/70/30/1097317030.db2.gz QXXORBGVKPAITH-UHFFFAOYSA-N -2 1 333.328 2.685 20 0 EFADML Cc1ncc(Cl)c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1 ZINC001167932644 1097319329 /nfs/dbraw/zinc/31/93/29/1097319329.db2.gz UHUFDPHBOWBDNS-UHFFFAOYSA-N -2 1 339.719 2.523 20 0 EFADML CC(C)(O)c1ccccc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167935962 1097350031 /nfs/dbraw/zinc/35/00/31/1097350031.db2.gz UYEPCWYFMBDKFZ-UHFFFAOYSA-N -2 1 347.351 2.999 20 0 EFADML O=P([O-])([O-])C1(Nc2ccc3ocnc3c2)Cc2ccccc2C1 ZINC001167936728 1097358721 /nfs/dbraw/zinc/35/87/21/1097358721.db2.gz NLPKMYQOZHEURA-UHFFFAOYSA-N -2 1 330.280 2.913 20 0 EFADML Cc1nc2cc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)cnc2o1 ZINC001167939673 1097386722 /nfs/dbraw/zinc/38/67/22/1097386722.db2.gz VTBRXYBKGVPRTI-UHFFFAOYSA-N -2 1 345.295 2.616 20 0 EFADML CC(C)n1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cc1=O ZINC001167939693 1097386924 /nfs/dbraw/zinc/38/69/24/1097386924.db2.gz OYCXAUUIQIDMJD-UHFFFAOYSA-N -2 1 348.339 2.514 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1cccc([C@@H](C)C(=O)[O-])c1 ZINC001606968518 1097483787 /nfs/dbraw/zinc/48/37/87/1097483787.db2.gz IVRJXGRCQPOZQO-GFCCVEGCSA-N -2 1 349.408 2.822 20 0 EFADML COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2c([O-])cccc2F)c1 ZINC001607311092 1097594933 /nfs/dbraw/zinc/59/49/33/1097594933.db2.gz LQYNCQVGFXUGHC-SFHVURJKSA-N -2 1 347.342 2.660 20 0 EFADML Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC2CC(CC(=O)[O-])C2)c1 ZINC001607643406 1097687499 /nfs/dbraw/zinc/68/74/99/1097687499.db2.gz NICLPHYDALGSRN-UHFFFAOYSA-N -2 1 344.333 2.839 20 0 EFADML Cc1cc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)oc1C(=O)[O-] ZINC001607644448 1097687582 /nfs/dbraw/zinc/68/75/82/1097687582.db2.gz HDZAYPPLBQGPBP-UHFFFAOYSA-N -2 1 343.257 2.941 20 0 EFADML Cc1c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])[nH]nc1C(C)C ZINC001607863276 1097758350 /nfs/dbraw/zinc/75/83/50/1097758350.db2.gz VABUKDBSJQXCGV-UHFFFAOYSA-N -2 1 337.401 2.649 20 0 EFADML Cc1sc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c(C(=O)[O-])c1C ZINC001608073180 1097826285 /nfs/dbraw/zinc/82/62/85/1097826285.db2.gz ZAJODZRBCQYCLP-UHFFFAOYSA-N -2 1 333.369 2.688 20 0 EFADML O=C([O-])C1(NC(=O)c2ccc3ccccc3c2[O-])CCSCC1 ZINC001608406366 1097913800 /nfs/dbraw/zinc/91/38/00/1097913800.db2.gz IWXRSOVWVCHOFZ-UHFFFAOYSA-N -2 1 331.393 2.626 20 0 EFADML O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc([O-])cc2F)c1O ZINC001608500249 1097932577 /nfs/dbraw/zinc/93/25/77/1097932577.db2.gz FKUPOZRBNUAEKC-UHFFFAOYSA-N -2 1 325.679 2.841 20 0 EFADML O=C([O-])c1nc(C(=O)Nc2ccc(Br)c([O-])c2)cs1 ZINC001608505660 1097934242 /nfs/dbraw/zinc/93/42/42/1097934242.db2.gz SRDMEYKRXMOSPE-UHFFFAOYSA-N -2 1 343.158 2.562 20 0 EFADML O=C([O-])[C@H](CS(=O)(=O)[N-]c1cc(F)ccc1F)c1ccccc1 ZINC001608541098 1097945446 /nfs/dbraw/zinc/94/54/46/1097945446.db2.gz YNUGAQYZYCSLPE-GFCCVEGCSA-N -2 1 341.335 2.575 20 0 EFADML O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC001608705153 1097995341 /nfs/dbraw/zinc/99/53/41/1097995341.db2.gz DSRDQRAEAHFMQM-CQSZACIVSA-N -2 1 331.343 2.737 20 0 EFADML O=C([O-])CN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC001608743315 1098007698 /nfs/dbraw/zinc/00/76/98/1098007698.db2.gz JKWCXKPRIXVCRS-UHFFFAOYSA-N -2 1 325.792 2.834 20 0 EFADML O=C([O-])c1ccc(COC(=O)c2cc(-c3ccco3)n[nH]2)c(F)c1 ZINC001608889264 1098059716 /nfs/dbraw/zinc/05/97/16/1098059716.db2.gz OKNDKIZQRJISCO-UHFFFAOYSA-N -2 1 330.271 2.864 20 0 EFADML O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC001608897488 1098063772 /nfs/dbraw/zinc/06/37/72/1098063772.db2.gz YWPOSWLUAGJXTE-UHFFFAOYSA-N -2 1 334.328 2.806 20 0 EFADML O=C([O-])c1cnc(CCNC(=O)c2cc3ccccc3cc2[O-])s1 ZINC001608971182 1098093608 /nfs/dbraw/zinc/09/36/08/1098093608.db2.gz YIOAEWYYRXZAPQ-UHFFFAOYSA-N -2 1 342.376 2.673 20 0 EFADML CC(=O)c1ccc([O-])c(CCOC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC001609629462 1098409375 /nfs/dbraw/zinc/40/93/75/1098409375.db2.gz OKFYMGTWQZSSSZ-UHFFFAOYSA-N -2 1 342.347 2.621 20 0 EFADML C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-])C(=O)[O-] ZINC001609742099 1098443563 /nfs/dbraw/zinc/44/35/63/1098443563.db2.gz HMLSXRAWRHOFOX-LBPRGKRZSA-N -2 1 331.343 2.894 20 0 EFADML C[C@H](NC(=O)c1ccc([O-])cc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609771432 1098452760 /nfs/dbraw/zinc/45/27/60/1098452760.db2.gz IFEFXNHBQHTLJO-XHDPSFHLSA-N -2 1 331.343 2.593 20 0 EFADML CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC001610079685 1098541698 /nfs/dbraw/zinc/54/16/98/1098541698.db2.gz MALVYWQNGSBFTD-UHFFFAOYSA-N -2 1 331.296 2.619 20 0 EFADML Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001610480197 1098701344 /nfs/dbraw/zinc/70/13/44/1098701344.db2.gz UFTJQNGEOCOOBG-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1oc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1C(=O)[O-] ZINC001610584583 1098768406 /nfs/dbraw/zinc/76/84/06/1098768406.db2.gz LBEHOENYPIQPEQ-UHFFFAOYSA-N -2 1 343.257 2.941 20 0 EFADML O=C([O-])[C@H](CS(=O)(=O)[N-]c1cccc2cc[nH]c21)c1ccccc1 ZINC001610715896 1098841902 /nfs/dbraw/zinc/84/19/02/1098841902.db2.gz UPIHPIOQDLGWND-CQSZACIVSA-N -2 1 344.392 2.778 20 0 EFADML O=C([O-])c1cc(-c2csc(NC(=O)c3ccccc3[O-])n2)c[nH]1 ZINC001610807647 1098902288 /nfs/dbraw/zinc/90/22/88/1098902288.db2.gz DNONNEJCWWTSHO-UHFFFAOYSA-N -2 1 329.337 2.794 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)nc1 ZINC001610836016 1098924923 /nfs/dbraw/zinc/92/49/23/1098924923.db2.gz SBJUXASNZXWFKJ-UHFFFAOYSA-N -2 1 344.751 2.514 20 0 EFADML O=C([O-])c1ccc(O)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001610836494 1098925814 /nfs/dbraw/zinc/92/58/14/1098925814.db2.gz OAMUFAMGBQXPIG-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML O=C([O-])c1cccc(CS(=O)(=O)[N-]c2nccc3sccc32)c1 ZINC001610847392 1098932319 /nfs/dbraw/zinc/93/23/19/1098932319.db2.gz QMKSUFUJFCZPCH-UHFFFAOYSA-N -2 1 348.405 2.936 20 0 EFADML CS(=O)(=O)c1ccc([O-])c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211966527 1104756583 /nfs/dbraw/zinc/75/65/83/1104756583.db2.gz CTYUYYZKSZKQGG-UHFFFAOYSA-N -2 1 341.772 2.891 20 0 EFADML CCOc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1 ZINC000035306406 213020167 /nfs/dbraw/zinc/02/01/67/213020167.db2.gz UYXCSEIQIGBMEV-UHFFFAOYSA-N -2 1 327.383 2.646 20 0 EFADML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000072295202 216132419 /nfs/dbraw/zinc/13/24/19/216132419.db2.gz PHCPSYZQUHIKBO-UHFFFAOYSA-N -2 1 325.773 2.768 20 0 EFADML C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000131917964 223283720 /nfs/dbraw/zinc/28/37/20/223283720.db2.gz UHROQJXMBPGWOY-LURJTMIESA-N -2 1 346.257 2.977 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1C(F)(F)F ZINC000174756683 239240458 /nfs/dbraw/zinc/24/04/58/239240458.db2.gz VABMWJLEEJEJNG-UHFFFAOYSA-N -2 1 348.302 2.841 20 0 EFADML O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000263446491 304167739 /nfs/dbraw/zinc/16/77/39/304167739.db2.gz RBTBVGNMOHYWSL-ORAYPTAESA-N -2 1 325.364 2.872 20 0 EFADML CCCc1cc(=O)[n-]c(SCc2nc(=O)c3sccc3[n-]2)n1 ZINC000011443454 211217394 /nfs/dbraw/zinc/21/73/94/211217394.db2.gz FHZQWXOKFCURDD-UHFFFAOYSA-N -2 1 334.426 2.725 20 0 EFADML CCOc1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc(Cl)c1[O-] ZINC000263395866 141390211 /nfs/dbraw/zinc/39/02/11/141390211.db2.gz ZIBKTTJKIJVKFQ-GXSJLCMTSA-N -2 1 341.791 2.627 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc2n[nH]cc21 ZINC000346475728 142209948 /nfs/dbraw/zinc/20/99/48/142209948.db2.gz IZOFNGPMSMBXSY-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc2n[nH]cc21 ZINC000346485649 142210765 /nfs/dbraw/zinc/21/07/65/142210765.db2.gz PKEFJRRULJVSPJ-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1 ZINC000347658009 142252532 /nfs/dbraw/zinc/25/25/32/142252532.db2.gz WTSPANPFMXIXEW-UHFFFAOYSA-N -2 1 339.344 2.534 20 0 EFADML Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000341268446 145024021 /nfs/dbraw/zinc/02/40/21/145024021.db2.gz FYQKLXGXPKJWSC-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000342801579 145196713 /nfs/dbraw/zinc/19/67/13/145196713.db2.gz YENQEQUUAOHXOG-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c(C(=O)[O-])c1 ZINC000349107707 146053615 /nfs/dbraw/zinc/05/36/15/146053615.db2.gz LVYJFXUSLUYNKK-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000351804844 146206607 /nfs/dbraw/zinc/20/66/07/146206607.db2.gz DLLCNABDTMJLTG-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000351827110 146212475 /nfs/dbraw/zinc/21/24/75/146212475.db2.gz FPVPFYXEQCZGCY-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000357015108 147401033 /nfs/dbraw/zinc/40/10/33/147401033.db2.gz CWDAATAXRRRDBH-UHFFFAOYSA-N -2 1 348.405 2.724 20 0 EFADML O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000013268093 264586977 /nfs/dbraw/zinc/58/69/77/264586977.db2.gz RACUIIZTKOCHQU-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML COCc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000351828975 293321512 /nfs/dbraw/zinc/32/15/12/293321512.db2.gz KOJLCYDNRSUWPY-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000325815146 295098561 /nfs/dbraw/zinc/09/85/61/295098561.db2.gz RZEBLKORMRDOEX-UHFFFAOYSA-N -2 1 347.392 2.683 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000321932306 311238918 /nfs/dbraw/zinc/23/89/18/311238918.db2.gz LCILINKUIHJFCS-UHFFFAOYSA-N -2 1 335.381 2.811 20 0 EFADML CCOC(=O)c1cnc(C(C)=Cc2cc(C(=O)[O-])cs2)[n-]c1=O ZINC000432692365 312578079 /nfs/dbraw/zinc/57/80/79/312578079.db2.gz CLLYHIWQHKCTPG-XBXARRHUSA-N -2 1 334.353 2.679 20 0 EFADML C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000520352682 315949108 /nfs/dbraw/zinc/94/91/08/315949108.db2.gz WGKQTKFLSORIRO-BXKDBHETSA-N -2 1 337.850 2.713 20 0 EFADML Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000524813229 316177654 /nfs/dbraw/zinc/17/76/54/316177654.db2.gz REEYIZMYCDWUTM-UHFFFAOYSA-N -2 1 349.408 2.603 20 0 EFADML CCC(CC)N(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C1CC1 ZINC000530579872 317149739 /nfs/dbraw/zinc/14/97/39/317149739.db2.gz CQEMHSHBEYGSTA-UHFFFAOYSA-N -2 1 330.388 2.538 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2F)c1C(=O)[O-] ZINC000532279444 317378973 /nfs/dbraw/zinc/37/89/73/317378973.db2.gz FQKZBPKYOFJRTO-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000532630041 317423753 /nfs/dbraw/zinc/42/37/53/317423753.db2.gz HMNJIGGJIHNNKY-UHFFFAOYSA-N -2 1 348.355 2.816 20 0 EFADML Cc1cc(CS(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])on1 ZINC000547551793 318018514 /nfs/dbraw/zinc/01/85/14/318018514.db2.gz NXZWLFCJUFACBZ-UHFFFAOYSA-N -2 1 344.776 2.585 20 0 EFADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000547559713 318018841 /nfs/dbraw/zinc/01/88/41/318018841.db2.gz ORZKZZMDRIUXTC-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000547935066 318053327 /nfs/dbraw/zinc/05/33/27/318053327.db2.gz QLJXNNJJGSXYJH-DGCLKSJQSA-N -2 1 339.413 2.991 20 0 EFADML CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000547936853 318053840 /nfs/dbraw/zinc/05/38/40/318053840.db2.gz TXUCZMARXMSUNE-MWLCHTKSSA-N -2 1 335.372 2.523 20 0 EFADML O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000548559864 318119528 /nfs/dbraw/zinc/11/95/28/318119528.db2.gz UBSODRUJFYPAIV-WCQYABFASA-N -2 1 347.383 2.667 20 0 EFADML O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000548559865 318119561 /nfs/dbraw/zinc/11/95/61/318119561.db2.gz UBSODRUJFYPAIV-YPMHNXCESA-N -2 1 347.383 2.667 20 0 EFADML O=C([O-])CC1([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCCC1 ZINC000565832740 319007360 /nfs/dbraw/zinc/00/73/60/319007360.db2.gz YSCZPFKVFMALSY-UHFFFAOYSA-N -2 1 341.360 2.638 20 0 EFADML CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000571321270 319563573 /nfs/dbraw/zinc/56/35/73/319563573.db2.gz WHZSJQLCHMZSAH-UHFFFAOYSA-N -2 1 325.386 2.745 20 0 EFADML Cc1nc(-c2ccc(N3CCC[C@@](C)(C(=O)[O-])C3)nc2)[n-]c(=O)c1C ZINC000573970618 319817117 /nfs/dbraw/zinc/81/71/17/319817117.db2.gz HZRWLMXQBZKTRC-GOSISDBHSA-N -2 1 342.399 2.552 20 0 EFADML C[C@@H](N=c1ccc(N2CCC[C@@](C)(C(=O)[O-])C2)n[n-]1)c1ccccc1 ZINC000581431899 324376691 /nfs/dbraw/zinc/37/66/91/324376691.db2.gz AROCYVRQODBAHQ-AUUYWEPGSA-N -2 1 340.427 2.763 20 0 EFADML CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000146971725 473304876 /nfs/dbraw/zinc/30/48/76/473304876.db2.gz UJJJYYNRWMGKQX-NSHDSACASA-N -2 1 325.386 2.601 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1C ZINC000006652340 471557021 /nfs/dbraw/zinc/55/70/21/471557021.db2.gz ILPMMCZHZFXIJL-UHFFFAOYSA-N -2 1 349.364 2.531 20 0 EFADML O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000013340537 471825829 /nfs/dbraw/zinc/82/58/29/471825829.db2.gz QOSCJZBKCKMWLM-UHFFFAOYSA-N -2 1 329.736 2.978 20 0 EFADML COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000013359027 471827617 /nfs/dbraw/zinc/82/76/17/471827617.db2.gz LCATZKSFIRGAND-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(Cl)ccc1[O-] ZINC000022185388 472011422 /nfs/dbraw/zinc/01/14/22/472011422.db2.gz XNMNCBYKXPNYNR-UHFFFAOYSA-N -2 1 349.799 2.616 20 0 EFADML COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000026547466 472142320 /nfs/dbraw/zinc/14/23/20/472142320.db2.gz ASPCCJWBRVPPEW-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000042794166 472170578 /nfs/dbraw/zinc/17/05/78/472170578.db2.gz GXGUPFURXHHAER-UHFFFAOYSA-N -2 1 348.380 2.534 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000029972309 472309964 /nfs/dbraw/zinc/30/99/64/472309964.db2.gz GCHMFNICAHREMV-UHFFFAOYSA-N -2 1 330.365 2.560 20 0 EFADML CCCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000032599777 472445784 /nfs/dbraw/zinc/44/57/84/472445784.db2.gz QGSYOUZTRJKELW-UHFFFAOYSA-N -2 1 335.381 2.974 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1 ZINC000058356021 472554111 /nfs/dbraw/zinc/55/41/11/472554111.db2.gz RGEPHQKPNGBJNO-UHFFFAOYSA-N -2 1 331.393 2.983 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1 ZINC000058369383 472557629 /nfs/dbraw/zinc/55/76/29/472557629.db2.gz UNRGUUWTBCAZSR-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML CC1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2O1 ZINC000047250974 472676176 /nfs/dbraw/zinc/67/61/76/472676176.db2.gz IVGKUJIIACLQPD-UHFFFAOYSA-N -2 1 349.364 2.693 20 0 EFADML Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000156248937 472681605 /nfs/dbraw/zinc/68/16/05/472681605.db2.gz GPZLWWSBJAPYPX-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000048382824 472870090 /nfs/dbraw/zinc/87/00/90/472870090.db2.gz ABQSWXQUPXFHIO-UHFFFAOYSA-N -2 1 335.381 2.893 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000066290492 473069839 /nfs/dbraw/zinc/06/98/39/473069839.db2.gz OGUDJVSCAQDCDC-UHFFFAOYSA-N -2 1 333.365 2.697 20 0 EFADML Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)ccc12 ZINC000093909136 473161363 /nfs/dbraw/zinc/16/13/63/473161363.db2.gz JFFLMSNMKTZDSV-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)ccc12 ZINC000093909136 473161366 /nfs/dbraw/zinc/16/13/66/473161366.db2.gz JFFLMSNMKTZDSV-UHFFFAOYSA-N -2 1 349.343 2.509 20 0 EFADML Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000110590280 473164014 /nfs/dbraw/zinc/16/40/14/473164014.db2.gz LHYRKJRMHHSZQF-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cccc(Cl)c1[O-] ZINC000189375623 474377995 /nfs/dbraw/zinc/37/79/95/474377995.db2.gz GHNUHPPRMLOUBN-VIFPVBQESA-N -2 1 338.713 2.687 20 0 EFADML Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1C(=O)[O-] ZINC000337159685 474748148 /nfs/dbraw/zinc/74/81/48/474748148.db2.gz RZJUKHVVLSWHMT-UHFFFAOYSA-N -2 1 338.360 2.541 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1Cl ZINC000314317895 474861562 /nfs/dbraw/zinc/86/15/62/474861562.db2.gz PHJDTDDRHCBDIM-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1 ZINC000316140003 474878533 /nfs/dbraw/zinc/87/85/33/474878533.db2.gz RAAUMOZSPBVERH-UHFFFAOYSA-N -2 1 341.410 2.954 20 0 EFADML Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000317784823 474889282 /nfs/dbraw/zinc/88/92/82/474889282.db2.gz SETRTFFSMDZFQH-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1O ZINC000318196101 474891103 /nfs/dbraw/zinc/89/11/03/474891103.db2.gz MKVHZUVRHCKEDU-UHFFFAOYSA-N -2 1 341.772 2.853 20 0 EFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000318925981 474895471 /nfs/dbraw/zinc/89/54/71/474895471.db2.gz WAGZKMHEWXVADS-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1F ZINC000320108417 474907522 /nfs/dbraw/zinc/90/75/22/474907522.db2.gz GKLRAONAZGXAEN-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000321970445 474933781 /nfs/dbraw/zinc/93/37/81/474933781.db2.gz RQLLYEOIHNDMEC-UHFFFAOYSA-N -2 1 339.344 2.642 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000324386527 474967006 /nfs/dbraw/zinc/96/70/06/474967006.db2.gz OVPVHCIEHNXYEE-UHFFFAOYSA-N -2 1 349.408 2.903 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000325302815 474986818 /nfs/dbraw/zinc/98/68/18/474986818.db2.gz WEYBBQCTYIZZOQ-UHFFFAOYSA-N -2 1 349.408 2.858 20 0 EFADML CCc1ccc(S(=O)(=O)[N-]c2cccc(COC)c2)cc1C(=O)[O-] ZINC000325897700 474997131 /nfs/dbraw/zinc/99/71/31/474997131.db2.gz VVMORAPCAJFVKY-UHFFFAOYSA-N -2 1 349.408 2.894 20 0 EFADML CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000339208703 475042640 /nfs/dbraw/zinc/04/26/40/475042640.db2.gz MHDNUEHPTZTZBS-NSHDSACASA-N -2 1 335.381 2.893 20 0 EFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000361967097 475903719 /nfs/dbraw/zinc/90/37/19/475903719.db2.gz QBATVCTWZVSUSM-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CSc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000361973961 475908039 /nfs/dbraw/zinc/90/80/39/475908039.db2.gz ZTUARSMBEFHXKR-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML CSc1ccccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000358856907 475991881 /nfs/dbraw/zinc/99/18/81/475991881.db2.gz MDJJFBGXZFKXIK-UHFFFAOYSA-N -2 1 337.422 2.836 20 0 EFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000358884456 476012017 /nfs/dbraw/zinc/01/20/17/476012017.db2.gz GJOUSMCNMRYKHF-UHFFFAOYSA-N -2 1 349.364 2.531 20 0 EFADML CCOCc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000338641883 476078682 /nfs/dbraw/zinc/07/86/82/476078682.db2.gz KFIRARPGTGGSPX-UHFFFAOYSA-N -2 1 335.381 2.722 20 0 EFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000356747179 476125978 /nfs/dbraw/zinc/12/59/78/476125978.db2.gz SMIWYPLFQNXVSI-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML COCc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000336866063 476148936 /nfs/dbraw/zinc/14/89/36/476148936.db2.gz GXFSTOVTSOHZSW-UHFFFAOYSA-N -2 1 335.381 2.640 20 0 EFADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000357012370 476154297 /nfs/dbraw/zinc/15/42/97/476154297.db2.gz FUCBFAAHLAWNOO-UHFFFAOYSA-N -2 1 343.763 2.907 20 0 EFADML COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000340772970 476262783 /nfs/dbraw/zinc/26/27/83/476262783.db2.gz FFHRIPAPLHMTJQ-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000357382514 476351681 /nfs/dbraw/zinc/35/16/81/476351681.db2.gz AVGYFRCDTGAEIP-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000357401775 476360865 /nfs/dbraw/zinc/36/08/65/476360865.db2.gz QEPSNJYTORAXQK-UHFFFAOYSA-N -2 1 330.365 2.975 20 0 EFADML Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C(=O)[O-] ZINC000357402837 476361172 /nfs/dbraw/zinc/36/11/72/476361172.db2.gz BHTPPOWMXNCQJT-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000457350484 476985270 /nfs/dbraw/zinc/98/52/70/476985270.db2.gz SKEXLBGWPYRQIN-SSDOTTSWSA-N -2 1 333.818 2.696 20 0 EFADML CCOc1cc(C(=O)NCCC(C)(C)C(=O)[O-])cc(Cl)c1[O-] ZINC000424236950 477337729 /nfs/dbraw/zinc/33/77/29/477337729.db2.gz UJDFTLLCMVZSLP-UHFFFAOYSA-N -2 1 329.780 2.675 20 0 EFADML COC(=O)c1ccc([O-])c(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000436513256 477500399 /nfs/dbraw/zinc/50/03/99/477500399.db2.gz MEVMKSLGPSJPRH-UHFFFAOYSA-N -2 1 349.383 2.933 20 0 EFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1O ZINC000436950014 477646040 /nfs/dbraw/zinc/64/60/40/477646040.db2.gz XUHHSPOTQFWREG-UHFFFAOYSA-N -2 1 343.307 2.829 20 0 EFADML CC(C)n1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])n1 ZINC000451048600 477801816 /nfs/dbraw/zinc/80/18/16/477801816.db2.gz WRLAMSNMZGBYLG-UHFFFAOYSA-N -2 1 349.334 2.989 20 0 EFADML C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000520352685 478299705 /nfs/dbraw/zinc/29/97/05/478299705.db2.gz WGKQTKFLSORIRO-SKDRFNHKSA-N -2 1 337.850 2.713 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1C ZINC000543663933 478765126 /nfs/dbraw/zinc/76/51/26/478765126.db2.gz ULDHCIYUMXROAT-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000556702507 479177902 /nfs/dbraw/zinc/17/79/02/479177902.db2.gz WPUSAEUYLOCTSJ-JOYOIKCWSA-N -2 1 343.376 2.740 20 0 EFADML O=C(N=c1[n-]nc([C@@H]2CCCO2)s1)Nc1ccc([O-])c(Cl)c1 ZINC000640733802 480596152 /nfs/dbraw/zinc/59/61/52/480596152.db2.gz OYXPIACEUQIOPV-JTQLQIEISA-N -2 1 340.792 2.815 20 0 EFADML CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1c(F)ccc(C)c1C(=O)[O-] ZINC000641681191 481000888 /nfs/dbraw/zinc/00/08/88/481000888.db2.gz BRBCNZPENALANQ-NWDGAFQWSA-N -2 1 345.392 2.532 20 0 EFADML Cc1[n-][nH]c(=O)c1NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000646413378 481282689 /nfs/dbraw/zinc/28/26/89/481282689.db2.gz WWWYDUKNVXHZTI-UHFFFAOYSA-N -2 1 341.371 2.691 20 0 EFADML Cc1nc(-c2ccc(N3C[C@H](C(=O)[O-])CC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000662893482 482009056 /nfs/dbraw/zinc/00/90/56/482009056.db2.gz MOAAKBHWNZRFOY-IINYFYTJSA-N -2 1 342.399 2.551 20 0 EFADML C[C@@H](C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000654768401 482043991 /nfs/dbraw/zinc/04/39/91/482043991.db2.gz SIHSZXASRPIMNK-ZETCQYMHSA-N -2 1 333.818 2.554 20 0 EFADML CC(C)[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000263265503 519821387 /nfs/dbraw/zinc/82/13/87/519821387.db2.gz WXZNSHKYBBTSQW-NSHDSACASA-N -2 1 347.845 2.942 20 0 EFADML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1 ZINC000175001562 534505311 /nfs/dbraw/zinc/50/53/11/534505311.db2.gz NBTSUMZOGZOKDR-UHFFFAOYSA-N -2 1 348.405 2.724 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(C(=O)[O-])c1 ZINC000353081961 536190023 /nfs/dbraw/zinc/19/00/23/536190023.db2.gz YOXHZQVSBFFIGS-UHFFFAOYSA-N -2 1 347.392 2.778 20 0 EFADML CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)cc1C ZINC000336875287 545901708 /nfs/dbraw/zinc/90/17/08/545901708.db2.gz DNRVGHINCJQIKX-UHFFFAOYSA-N -2 1 336.413 2.878 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc(C(=O)[O-])c1 ZINC000507563677 546295774 /nfs/dbraw/zinc/29/57/74/546295774.db2.gz GHBIKHDFYONVJV-UHFFFAOYSA-N -3 1 349.364 2.501 20 0 EFADML CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1[O-])C1CCCC1 ZINC000656626445 546867793 /nfs/dbraw/zinc/86/77/93/546867793.db2.gz PNCHCRNFKPTMJS-CQSZACIVSA-N -2 1 333.837 2.993 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc(C(=O)[O-])c1C ZINC000675438236 548280364 /nfs/dbraw/zinc/28/03/64/548280364.db2.gz MFZBBCYSMNIHNR-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1O ZINC000680809537 549390894 /nfs/dbraw/zinc/39/08/94/549390894.db2.gz HZPREYZCKALIGA-UHFFFAOYSA-N -2 1 335.381 2.816 20 0 EFADML CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000681578592 549570171 /nfs/dbraw/zinc/57/01/71/549570171.db2.gz FBRVKIMNPGNFMW-ZYHUDNBSSA-N -2 1 325.386 2.601 20 0 EFADML O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(F)c([O-])c(F)c1 ZINC000759542089 575897455 /nfs/dbraw/zinc/89/74/55/575897455.db2.gz RXRLYGLYKZBASG-UHFFFAOYSA-N -2 1 348.257 2.839 20 0 EFADML Cc1cc(C(=O)N2CCC(CC(C)C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000760946609 576091469 /nfs/dbraw/zinc/09/14/69/576091469.db2.gz XXDWLZZEDWGOCG-UHFFFAOYSA-N -2 1 344.415 2.643 20 0 EFADML Cc1noc(C(C)C)c1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738937622 577312463 /nfs/dbraw/zinc/31/24/63/577312463.db2.gz ODXDBTGZLCXFDQ-UHFFFAOYSA-N -2 1 338.389 2.618 20 0 EFADML O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000053200429 597312211 /nfs/dbraw/zinc/31/22/11/597312211.db2.gz XRDFSPLXEOAPQB-UHFFFAOYSA-N -2 1 325.773 2.768 20 0 EFADML CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000325897408 599852812 /nfs/dbraw/zinc/85/28/12/599852812.db2.gz VRVYTPCNEXSPLX-UHFFFAOYSA-N -2 1 347.392 2.707 20 0 EFADML O=C([O-])c1sc2ccccc2c1CNC(=O)c1ncccc1[O-] ZINC000739436926 599882042 /nfs/dbraw/zinc/88/20/42/599882042.db2.gz WKKQJODVPFRDPO-UHFFFAOYSA-N -2 1 328.349 2.630 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])ccc1F ZINC000738463154 599925836 /nfs/dbraw/zinc/92/58/36/599925836.db2.gz AIKZGIKZXSFOTH-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML COc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000387679604 600092380 /nfs/dbraw/zinc/09/23/80/600092380.db2.gz CFQFBDAADYCPKK-UHFFFAOYSA-N -2 1 341.772 2.848 20 0 EFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000320425615 600104694 /nfs/dbraw/zinc/10/46/94/600104694.db2.gz KHGOKQFAIGNQAT-UHFFFAOYSA-N -2 1 334.397 2.560 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccccc2N(C)C)c1C(=O)[O-] ZINC000738745363 600105347 /nfs/dbraw/zinc/10/53/47/600105347.db2.gz PHOBVEIYMPQCQC-UHFFFAOYSA-N -2 1 334.397 2.560 20 0 EFADML Cc1cccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1C(=O)[O-] ZINC000738743912 600244026 /nfs/dbraw/zinc/24/40/26/600244026.db2.gz GHPHVYOJCCFMON-UHFFFAOYSA-N -2 1 344.392 2.986 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c(C)s1 ZINC000738477033 600303048 /nfs/dbraw/zinc/30/30/48/600303048.db2.gz ABHRVFKBHAVEKN-UHFFFAOYSA-N -2 1 340.426 2.933 20 0 EFADML O=C([O-])c1ccnc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000236484797 600451669 /nfs/dbraw/zinc/45/16/69/600451669.db2.gz TZOLQAJUTWRSDX-UHFFFAOYSA-N -2 1 337.129 2.500 20 0 EFADML O=C([O-])CCc1nnc([N-]C(=O)c2nc(Cl)ccc2Cl)s1 ZINC000739781127 600631220 /nfs/dbraw/zinc/63/12/20/600631220.db2.gz FJSLVYNXISXRDN-UHFFFAOYSA-N -2 1 347.183 2.509 20 0 EFADML O=C([O-])CCc1nnc([N-]C(=O)c2cc3cc(F)ccc3o2)s1 ZINC000739777843 600632507 /nfs/dbraw/zinc/63/25/07/600632507.db2.gz QQVOKWDNJBUNEO-UHFFFAOYSA-N -2 1 335.316 2.693 20 0 EFADML N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000388757859 600637213 /nfs/dbraw/zinc/63/72/13/600637213.db2.gz DTDMVFNRNXKMOH-UHFFFAOYSA-N -2 1 336.756 2.711 20 0 EFADML CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000320200781 600815271 /nfs/dbraw/zinc/81/52/71/600815271.db2.gz RIBWOLREUZQLQF-UHFFFAOYSA-N -2 1 336.413 2.649 20 0 EFADML O=C([O-])Nc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000740042253 600891297 /nfs/dbraw/zinc/89/12/97/600891297.db2.gz YZPDMTVRYOVIFU-UHFFFAOYSA-N -2 1 346.286 2.995 20 0 EFADML O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2c(O)cccc2F)c1 ZINC000740133758 601116919 /nfs/dbraw/zinc/11/69/19/601116919.db2.gz CVWCDEZIIVOLGY-UHFFFAOYSA-N -2 1 345.735 2.684 20 0 EFADML CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000048382841 601325594 /nfs/dbraw/zinc/32/55/94/601325594.db2.gz HIUMSGZJOCFZIM-UHFFFAOYSA-N -2 1 339.344 2.723 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2N(C)C)c1C ZINC000324889165 601359966 /nfs/dbraw/zinc/35/99/66/601359966.db2.gz NRNHWLGKQAYEMN-UHFFFAOYSA-N -2 1 348.424 2.868 20 0 EFADML CC1=C(C(=O)[O-])[C@@H](c2cc(F)c([O-])c(F)c2)NC(=O)N1CC1CC1 ZINC000828136960 601396753 /nfs/dbraw/zinc/39/67/53/601396753.db2.gz ZWZQFCWWBAHMMV-CYBMUJFWSA-N -2 1 338.310 2.505 20 0 EFADML O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000390599477 601574770 /nfs/dbraw/zinc/57/47/70/601574770.db2.gz UDNQHYSWVONFLJ-OAHLLOKOSA-N -2 1 331.755 2.870 20 0 EFADML Cc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000080307704 601829923 /nfs/dbraw/zinc/82/99/23/601829923.db2.gz YDSLWDCTAVWCHT-UHFFFAOYSA-N -2 1 327.308 2.772 20 0 EFADML CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)[nH]n1 ZINC000317901258 601850753 /nfs/dbraw/zinc/85/07/53/601850753.db2.gz XPZFKHVJFHNAGU-UHFFFAOYSA-N -2 1 343.792 2.686 20 0 EFADML CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)[nH]n1 ZINC000829215366 601862060 /nfs/dbraw/zinc/86/20/60/601862060.db2.gz AWKLOFCIZGUFHW-JTQLQIEISA-N -2 1 337.401 2.812 20 0 EFADML CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)[nH]n1 ZINC000829216381 602102337 /nfs/dbraw/zinc/10/23/37/602102337.db2.gz LXOABQPSHIVNCB-MRVPVSSYSA-N -2 1 343.430 2.874 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2nc3cccc(C(=O)[O-])c3[nH]2)c(C)c1 ZINC000833751208 604625748 /nfs/dbraw/zinc/62/57/48/604625748.db2.gz RDHMBSACVPPVJD-UHFFFAOYSA-N -2 1 345.380 2.679 20 0 EFADML CC(C)(CCC(=O)[O-])NC(=O)c1ccc(Br)cc1[O-] ZINC000050195941 604709307 /nfs/dbraw/zinc/70/93/07/604709307.db2.gz WDOOVWMIYAWKPE-UHFFFAOYSA-N -2 1 330.178 2.528 20 0 EFADML Cc1cc(F)c(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])c(F)c1 ZINC000819087443 1276601595 /nfs/dbraw/zinc/60/15/95/1276601595.db2.gz HRRBXSXXUWRNPW-UHFFFAOYSA-N -2 1 349.399 2.977 20 0 EFADML CCOc1cc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C)cc(Cl)c1[O-] ZINC000923152119 1277027803 /nfs/dbraw/zinc/02/78/03/1277027803.db2.gz ADRLKLRQAJNHJF-UWVGGRQHSA-N -2 1 341.791 2.770 20 0 EFADML CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174952022 1287265355 /nfs/dbraw/zinc/26/53/55/1287265355.db2.gz JXJPYTRWOWRDAC-UHFFFAOYSA-N -2 1 335.381 2.557 20 0 EFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c1Cl ZINC000871964408 1287376907 /nfs/dbraw/zinc/37/69/07/1287376907.db2.gz YDAFYUZRAFDXHK-ZCFIWIBFSA-N -2 1 345.726 2.576 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C)ccc1C(=O)[O-] ZINC000806635315 1281119708 /nfs/dbraw/zinc/11/97/08/1281119708.db2.gz RAAMXPNLVJMCHW-UHFFFAOYSA-N -2 1 340.788 2.851 20 0 EFADML C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c2ccccc21 ZINC001148927778 1281825811 /nfs/dbraw/zinc/82/58/11/1281825811.db2.gz SUMGWNGUAMQGKX-BONVTDFDSA-N -2 1 347.392 2.617 20 0 EFADML C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC(C)(C)C1 ZINC001148927268 1281826281 /nfs/dbraw/zinc/82/62/81/1281826281.db2.gz KPXZLIXICFORAU-QWRGUYRKSA-N -2 1 341.429 2.584 20 0 EFADML Cc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3)cc1C(=O)[O-] ZINC001184699652 1290495507 /nfs/dbraw/zinc/49/55/07/1290495507.db2.gz WYGLRMGTOKJPQZ-UHFFFAOYSA-N -2 1 333.365 2.524 20 0 EFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCC2=O ZINC001185906274 1290782906 /nfs/dbraw/zinc/78/29/06/1290782906.db2.gz QNMPFXBLSFPWRV-UHFFFAOYSA-N -2 1 345.376 2.623 20 0 EFADML Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc(Cl)n1 ZINC001186150655 1290884453 /nfs/dbraw/zinc/88/44/53/1290884453.db2.gz JPKMJVXCHBZGFM-UHFFFAOYSA-N -2 1 344.751 2.682 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(F)cc2F)ccc1Cl ZINC001188276844 1291361840 /nfs/dbraw/zinc/36/18/40/1291361840.db2.gz NDXWCFPSMAYLIK-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML O=S(=O)(CCCF)[N-]c1c([O-])c(Br)ccc1Cl ZINC001189921684 1291920746 /nfs/dbraw/zinc/92/07/46/1291920746.db2.gz UZVXLAKLDJUWNW-UHFFFAOYSA-N -2 1 346.605 2.909 20 0 EFADML O=C(NCCCC[P@@](=O)([O-])O)c1csc(-c2cccs2)n1 ZINC001190580559 1292232286 /nfs/dbraw/zinc/23/22/86/1292232286.db2.gz ZKRGXIYVBCWWTP-UHFFFAOYSA-N -2 1 346.370 2.559 20 0 EFADML O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc([O-])c(F)c1F ZINC001192828388 1293065519 /nfs/dbraw/zinc/06/55/19/1293065519.db2.gz SIBFCKPVBRVSJY-UHFFFAOYSA-N -2 1 331.278 2.814 20 0 EFADML COC(=O)c1ccc([O-])c(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197113849 1294461605 /nfs/dbraw/zinc/46/16/05/1294461605.db2.gz WKMJLOHDRUQHLM-UHFFFAOYSA-N -2 1 346.364 2.686 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC001198729960 1295208796 /nfs/dbraw/zinc/20/87/96/1295208796.db2.gz BPIVIVAWOVNGEX-UHFFFAOYSA-N -2 1 343.307 2.787 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC001198730582 1295208869 /nfs/dbraw/zinc/20/88/69/1295208869.db2.gz PVCNECWLTJHPRH-UHFFFAOYSA-N -2 1 328.349 2.734 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2ncc(F)cc12 ZINC001198782730 1295228469 /nfs/dbraw/zinc/22/84/69/1295228469.db2.gz NXCCHSUZOJCNPS-UHFFFAOYSA-N -2 1 346.339 2.873 20 0 EFADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)C2CC2)cc1 ZINC001198790078 1295231952 /nfs/dbraw/zinc/23/19/52/1295231952.db2.gz MECAFONFJWADQN-UHFFFAOYSA-N -2 1 345.376 2.778 20 0 EFADML COC(=O)c1nc2cc(-c3cc(F)c(F)c(C(=O)[O-])c3)ccc2[n-]1 ZINC001206038443 1313396114 /nfs/dbraw/zinc/39/61/14/1313396114.db2.gz ADMKBQZVHQEOQT-UHFFFAOYSA-N -2 1 332.262 2.993 20 0 EFADML COC(=O)c1nc2ccc(-c3cc(F)c(F)c(C(=O)[O-])c3)cc2[n-]1 ZINC001206038443 1313396118 /nfs/dbraw/zinc/39/61/18/1313396118.db2.gz ADMKBQZVHQEOQT-UHFFFAOYSA-N -2 1 332.262 2.993 20 0 EFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c(F)c1 ZINC000159931376 1297768811 /nfs/dbraw/zinc/76/88/11/1297768811.db2.gz IWYASZOKHGYEEM-UHFFFAOYSA-N -2 1 345.298 2.911 20 0 EFADML CC(C)Cn1[n-]c(CC(=O)Nc2cc(F)c([O-])cc2Cl)cc1=O ZINC000885674118 1300470949 /nfs/dbraw/zinc/47/09/49/1300470949.db2.gz HRDCYPXTHZCJTA-UHFFFAOYSA-N -2 1 341.770 2.512 20 0 EFADML COC(=O)c1nc2ccc(-c3cc(F)c(C(=O)[O-])c(F)c3)cc2[n-]1 ZINC001239352522 1313927955 /nfs/dbraw/zinc/92/79/55/1313927955.db2.gz DCTSFFGZRDBBBU-UHFFFAOYSA-N -2 1 332.262 2.993 20 0 EFADML COC(=O)c1nc2cc(-c3cc(F)c(C(=O)[O-])c(F)c3)ccc2[n-]1 ZINC001239352522 1313927957 /nfs/dbraw/zinc/92/79/57/1313927957.db2.gz DCTSFFGZRDBBBU-UHFFFAOYSA-N -2 1 332.262 2.993 20 0 EFADML O=C([O-])c1cccc(Nc2nc[n-]c(=O)c2Br)c1F ZINC001210238599 1314299626 /nfs/dbraw/zinc/29/96/26/1314299626.db2.gz KCPHAURJCXFBRA-UHFFFAOYSA-N -2 1 328.097 2.526 20 0 EFADML COc1c(Nc2cc3ccc([O-])cc3oc2=O)cccc1C(=O)[O-] ZINC001211032974 1314426388 /nfs/dbraw/zinc/42/63/88/1314426388.db2.gz IKWMRLUOVAGTRZ-UHFFFAOYSA-N -2 1 327.292 2.949 20 0 EFADML O=C([O-])c1cc(-c2ccc(-c3nnn[n-]3)nc2)c(Cl)cc1Cl ZINC001245000046 1314431823 /nfs/dbraw/zinc/43/18/23/1314431823.db2.gz FDCXRHUBPCVEKV-UHFFFAOYSA-N -2 1 336.138 2.934 20 0 EFADML O=C([O-])c1cc(-c2ccc(-c3nn[n-]n3)nc2)c(Cl)cc1Cl ZINC001245000046 1314431826 /nfs/dbraw/zinc/43/18/26/1314431826.db2.gz FDCXRHUBPCVEKV-UHFFFAOYSA-N -2 1 336.138 2.934 20 0 EFADML CCOC(=O)c1nnsc1[N-]c1ccc(Cl)c(C(=O)[O-])c1F ZINC001215695999 1314868859 /nfs/dbraw/zinc/86/88/59/1314868859.db2.gz GNBJQHUBSYCSHI-UHFFFAOYSA-N -2 1 345.739 2.949 20 0 EFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2F)c(F)cc1Cl ZINC001259213482 1316221403 /nfs/dbraw/zinc/22/14/03/1316221403.db2.gz WFVDIZBXYZTLPT-UHFFFAOYSA-N -2 1 348.714 2.512 20 0 EFADML CCn1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc2n1 ZINC001260227855 1316324733 /nfs/dbraw/zinc/32/47/33/1316324733.db2.gz HNYWZZSUYROCOS-UHFFFAOYSA-N -2 1 345.380 2.555 20 0 EFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cnco2)cc1 ZINC001260228098 1316324890 /nfs/dbraw/zinc/32/48/90/1316324890.db2.gz ZJEKFIBKODZVRT-UHFFFAOYSA-N -2 1 344.348 2.841 20 0 EFADML Cn1ccc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc21 ZINC001260228174 1316324907 /nfs/dbraw/zinc/32/49/07/1316324907.db2.gz HGGWDKQWGAQSFU-UHFFFAOYSA-N -2 1 330.365 2.677 20 0 EFADML CCC[C@@H](C(=O)[N-]c1ncc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821009466 1428234217 /nfs/dbraw/zinc/23/42/17/1428234217.db2.gz SBKUVWAPMUPZEJ-LLVKDONJSA-N -2 1 328.401 2.846 20 0 EFADML Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000114604515 1423552695 /nfs/dbraw/zinc/55/26/95/1423552695.db2.gz BALIFUZPQSEISI-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000114604515 1423552702 /nfs/dbraw/zinc/55/27/02/1423552702.db2.gz BALIFUZPQSEISI-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML C[C@H](Cc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820299194 1426211577 /nfs/dbraw/zinc/21/15/77/1426211577.db2.gz DGYGGOOZQUOAFY-SNVBAGLBSA-N -2 1 341.346 2.529 20 0 EFADML Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826308330 1430036780 /nfs/dbraw/zinc/03/67/80/1430036780.db2.gz UTPBLALGUMHRCN-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826308330 1430036785 /nfs/dbraw/zinc/03/67/85/1430036785.db2.gz UTPBLALGUMHRCN-UHFFFAOYSA-N -2 1 349.803 2.629 20 0 EFADML Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)sc1C ZINC000826272701 1441421388 /nfs/dbraw/zinc/42/13/88/1441421388.db2.gz XKNMZLHUEHGULN-UHFFFAOYSA-N -2 1 349.441 2.654 20 0 EFADML C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820518324 1442028508 /nfs/dbraw/zinc/02/85/08/1442028508.db2.gz BADYHHVESLEVJK-LLVKDONJSA-N -2 1 345.403 2.639 20 0 EFADML Cc1cc(C)cc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c1 ZINC000826264434 1442092526 /nfs/dbraw/zinc/09/25/26/1442092526.db2.gz OOICGZBUFGQWMU-UHFFFAOYSA-N -2 1 337.383 2.760 20 0 EFADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(Cl)c(F)c1 ZINC000826451152 1443595158 /nfs/dbraw/zinc/59/51/58/1443595158.db2.gz SAFLEJHKCDACJR-UHFFFAOYSA-N -2 1 333.710 2.617 20 0 EFADML O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1O ZINC000826465964 1446518886 /nfs/dbraw/zinc/51/88/86/1446518886.db2.gz KEHRFCQLJDUYEP-UHFFFAOYSA-N -2 1 330.731 2.583 20 0 EFADML O=C([O-])C=Cc1cnc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000826461453 1446620023 /nfs/dbraw/zinc/62/00/23/1446620023.db2.gz VSIYRRXGCVFNOL-JGDUWUCISA-N -2 1 343.343 2.731 20 0 EFADML O=C([N-]c1ncc(-c2nn[n-]n2)s1)C1(c2cccc(Cl)c2)CC1 ZINC000823380233 1449906265 /nfs/dbraw/zinc/90/62/65/1449906265.db2.gz SUZCVYLLGBHWFX-UHFFFAOYSA-N -2 1 346.803 2.647 20 0 EFADML Cc1ccc2c(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])c[nH]c2c1 ZINC000822275367 1450277234 /nfs/dbraw/zinc/27/72/34/1450277234.db2.gz RQMKBVIXBKOYCZ-UHFFFAOYSA-N -2 1 348.366 2.543 20 0 EFADML C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)C1 ZINC000317719658 715161802 /nfs/dbraw/zinc/16/18/02/715161802.db2.gz DVBUGJROAVDCPZ-PSASIEDQSA-N -2 1 333.356 2.520 20 0 EFADML CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000317541444 718143911 /nfs/dbraw/zinc/14/39/11/718143911.db2.gz HZSABIHOSZUOAJ-SECBINFHSA-N -2 1 335.372 2.910 20 0 EFADML CCCC[C@@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)C(=O)[O-] ZINC000263556462 725894899 /nfs/dbraw/zinc/89/48/99/725894899.db2.gz OOEBBFWOGYGVGB-CYBMUJFWSA-N -2 1 330.388 2.916 20 0 EFADML CCOc1cc(C(=O)N2CCC(CC(=O)[O-])CC2)cc(Cl)c1[O-] ZINC000908685126 727241414 /nfs/dbraw/zinc/24/14/14/727241414.db2.gz PRCJGKNUKFTKQN-UHFFFAOYSA-N -2 1 341.791 2.771 20 0 EFADML CCC[C@](C)(NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC000908872072 727274546 /nfs/dbraw/zinc/27/45/46/727274546.db2.gz NDDAMJGYWIUNBJ-HNNXBMFYSA-N -2 1 329.780 2.818 20 0 EFADML CCOc1cc(C(=O)N(CCC(=O)[O-])C(C)C)cc(Cl)c1[O-] ZINC000908961331 727293442 /nfs/dbraw/zinc/29/34/42/727293442.db2.gz RKRYZOCVEBFYDN-UHFFFAOYSA-N -2 1 329.780 2.770 20 0 EFADML CCC[C@H](CNC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC000909813158 727382591 /nfs/dbraw/zinc/38/25/91/727382591.db2.gz IJNXPORCFAXMEY-SECBINFHSA-N -2 1 329.780 2.675 20 0 EFADML O=C([O-])c1csc([C@H]2CCCN2C(=O)c2ccc([O-])c(F)c2)n1 ZINC000910108004 727412986 /nfs/dbraw/zinc/41/29/86/727412986.db2.gz DNEXWCVTVFVCIQ-LLVKDONJSA-N -2 1 336.344 2.663 20 0 EFADML