smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(Cl)n1 ZINC000193119751 712882477 /nfs/dbraw/zinc/88/24/77/712882477.db2.gz LSOTWPUXJWQMMZ-UHFFFAOYSA-N -1 2 368.842 3.206 20 0 FGADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000324186909 713815775 /nfs/dbraw/zinc/81/57/75/713815775.db2.gz JIDKPTODJDEAMP-UHFFFAOYSA-N -1 2 373.789 3.377 20 0 FGADLM C[C@@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000825448886 729383836 /nfs/dbraw/zinc/38/38/36/729383836.db2.gz HMOUEHLNVDREES-SECBINFHSA-N -1 2 356.350 3.094 20 0 FGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2OCC2CC2)cs1 ZINC000580143486 505687115 /nfs/dbraw/zinc/68/71/15/505687115.db2.gz FRKQBMUDSBSJMW-UHFFFAOYSA-N -1 2 371.411 3.175 20 0 FGADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000280974063 497972261 /nfs/dbraw/zinc/97/22/61/497972261.db2.gz LMNSTPDVNDLGPO-UHFFFAOYSA-N -1 2 371.846 3.004 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)sc1C(=O)[O-] ZINC000324365754 498827733 /nfs/dbraw/zinc/82/77/33/498827733.db2.gz JHXPKJSTSBRXCV-UHFFFAOYSA-N -1 2 364.404 3.211 20 0 FGADLM CC(C)c1ccc(S(=O)(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000373201060 499457090 /nfs/dbraw/zinc/45/70/90/499457090.db2.gz BSOUACJJLBWOCZ-UHFFFAOYSA-N -1 2 362.499 3.074 20 0 FGADLM O=c1nc(C[N@H+]2CCC[C@H]2CCO)[nH]c2scc(-c3ccccc3)c21 ZINC000426264284 500254829 /nfs/dbraw/zinc/25/48/29/500254829.db2.gz QBRBERLAIUGYTB-AWEZNQCLSA-N -1 2 355.463 3.411 20 0 FGADLM CC[C@H](C)Oc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433489374 500704063 /nfs/dbraw/zinc/70/40/63/500704063.db2.gz CUHOBEKSYFIBRA-NSHDSACASA-N -1 2 365.407 3.069 20 0 FGADLM COc1ccc(OC(C)C)c(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000592711947 506217607 /nfs/dbraw/zinc/21/76/07/506217607.db2.gz ZXAZDJGBNJZTFP-UHFFFAOYSA-N -1 2 371.436 3.043 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)n[nH]2)cc1C(=O)[O-] ZINC000485881175 501973736 /nfs/dbraw/zinc/97/37/36/501973736.db2.gz HCAJGBMGEVAGMP-UHFFFAOYSA-N -1 2 371.418 3.193 20 0 FGADLM CCc1noc(C)c1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479245657 502203701 /nfs/dbraw/zinc/20/37/01/502203701.db2.gz MWOXUJIRMJJERZ-UHFFFAOYSA-N -1 2 358.803 3.006 20 0 FGADLM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000476411350 502482442 /nfs/dbraw/zinc/48/24/42/502482442.db2.gz OOMDHKBVTPHUBE-UHFFFAOYSA-N -1 2 359.325 3.220 20 0 FGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OC(C)C ZINC000484233427 502604033 /nfs/dbraw/zinc/60/40/33/502604033.db2.gz MMXLNRMRSVLNMT-UHFFFAOYSA-N -1 2 357.359 3.013 20 0 FGADLM CCc1nc(C)c(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)s1 ZINC000489002767 502858395 /nfs/dbraw/zinc/85/83/95/502858395.db2.gz BERVXEPYJZYFJS-UHFFFAOYSA-N -1 2 354.453 3.130 20 0 FGADLM CCc1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489581636 502991597 /nfs/dbraw/zinc/99/15/97/502991597.db2.gz KENWTPZTYPDFFV-UHFFFAOYSA-N -1 2 355.799 3.107 20 0 FGADLM CC(C)OCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000511112305 503258781 /nfs/dbraw/zinc/25/87/81/503258781.db2.gz YUCBEEYQNZJIPL-UHFFFAOYSA-N -1 2 355.437 3.172 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ccc(COC(C)C)cc2)sc1C(=O)[O-] ZINC000511686290 503370469 /nfs/dbraw/zinc/37/04/69/503370469.db2.gz GHUXZRIZGKUFTA-UHFFFAOYSA-N -1 2 369.464 3.481 20 0 FGADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1c(F)cccc1Cl ZINC000547550632 504146342 /nfs/dbraw/zinc/14/63/42/504146342.db2.gz WRSIVUNZCQLGIU-UHFFFAOYSA-N -1 2 361.753 3.426 20 0 FGADLM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2cccc3[nH]nnc32)cc1 ZINC000542821318 504624110 /nfs/dbraw/zinc/62/41/10/504624110.db2.gz KFFYXCNXXFIJKH-CQSZACIVSA-N -1 2 352.438 3.496 20 0 FGADLM CC[C@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)sc2C1 ZINC000736937369 600055721 /nfs/dbraw/zinc/05/57/21/600055721.db2.gz FOIFVZRGNGWGKD-QMMMGPOBSA-N -1 2 372.493 3.219 20 0 FGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3scnc3c2)c(F)cc1F ZINC000740089903 600235806 /nfs/dbraw/zinc/23/58/06/600235806.db2.gz MZQDYVIVEZLMPM-UHFFFAOYSA-N -1 2 370.358 3.074 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c(F)c1 ZINC000832956541 601363390 /nfs/dbraw/zinc/36/33/90/601363390.db2.gz MMGCWRXRHZGCLB-UHFFFAOYSA-N -1 2 372.443 3.387 20 0 FGADLM Cc1ccncc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000316077653 601575957 /nfs/dbraw/zinc/57/59/57/601575957.db2.gz IHWMVLRVBIFHKU-UHFFFAOYSA-N -1 2 361.206 3.196 20 0 FGADLM Cn1cc(NS(=O)(=O)c2csc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000833052602 601783924 /nfs/dbraw/zinc/78/39/24/601783924.db2.gz CPEXZGYQOJEZFK-UHFFFAOYSA-N -1 2 370.839 3.392 20 0 FGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)ccc1Cl ZINC000314799341 601843503 /nfs/dbraw/zinc/84/35/03/601843503.db2.gz MXPJNUNSRWLYGD-UHFFFAOYSA-N -1 2 358.828 3.173 20 0 FGADLM CCN(Cc1ccccc1NS(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000739444501 602653841 /nfs/dbraw/zinc/65/38/41/602653841.db2.gz KKJKFEPOLJZBGK-UHFFFAOYSA-N -1 2 370.377 3.266 20 0 FGADLM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccc(Cl)c1O ZINC000834106734 605993580 /nfs/dbraw/zinc/99/35/80/605993580.db2.gz KCSMIZIFEPEJQR-ZIAGYGMSSA-N -1 2 352.818 3.183 20 0 FGADLM Nc1c(Cl)cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC000070825673 695955638 /nfs/dbraw/zinc/95/56/38/695955638.db2.gz IWPPSMWPOQTALV-UHFFFAOYSA-N -1 2 367.235 3.136 20 0 FGADLM CCc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000159899449 705236877 /nfs/dbraw/zinc/23/68/77/705236877.db2.gz VGCJRJCWUPIVAN-UHFFFAOYSA-N -1 2 355.362 3.335 20 0 FGADLM O=C([O-])c1c(F)cc(NS(=O)(=O)c2cccc3c2N=S=N3)cc1F ZINC000325578392 713818193 /nfs/dbraw/zinc/81/81/93/713818193.db2.gz MGTUQXPZVSWGCW-UHFFFAOYSA-N -1 2 371.346 3.190 20 0 FGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2)c(F)c(Cl)c1F ZINC000779825578 724429055 /nfs/dbraw/zinc/42/90/55/724429055.db2.gz YYGCIOJEDMGCRJ-UHFFFAOYSA-N -1 2 365.716 3.256 20 0 FGADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000754256426 722932666 /nfs/dbraw/zinc/93/26/66/722932666.db2.gz IDPJGNHYOMYUQS-UHFFFAOYSA-N -1 2 370.814 3.023 20 0 FGADLM CO[C@@H](CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1O)C1CCCC1 ZINC000656627500 719425398 /nfs/dbraw/zinc/42/53/98/719425398.db2.gz CBUWQDKOYNFPLC-ZDUSSCGKSA-N -1 2 351.827 3.132 20 0 FGADLM COc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1F ZINC000775294179 723978325 /nfs/dbraw/zinc/97/83/25/723978325.db2.gz JTJZEINVHSKEPH-UHFFFAOYSA-N -1 2 371.361 3.089 20 0 FGADLM COc1ccc(C)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1SC ZINC000013278956 494284236 /nfs/dbraw/zinc/28/42/36/494284236.db2.gz PQCAVLXSYVKNQF-UHFFFAOYSA-N -1 2 367.448 3.225 20 0 FGADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1)C(=O)[O-] ZINC000184654700 496480861 /nfs/dbraw/zinc/48/08/61/496480861.db2.gz OXIZWEDWXBXUPV-JTQLQIEISA-N -1 2 355.362 3.029 20 0 FGADLM CC(C)CCn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000164573326 496620997 /nfs/dbraw/zinc/62/09/97/496620997.db2.gz YDNXAKOQOKCWBU-UHFFFAOYSA-N -1 2 371.846 3.082 20 0 FGADLM CC[C@@H](C)N(CC(=O)[O-])C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000237070333 497187091 /nfs/dbraw/zinc/18/70/91/497187091.db2.gz FSFWDPDKTHWFIW-CYBMUJFWSA-N -1 2 359.426 3.027 20 0 FGADLM COC(=O)c1sc2[nH]c(C[N@H+](C)Cc3cccc(C)c3)nc(=O)c2c1C ZINC000298838319 498892331 /nfs/dbraw/zinc/89/23/31/498892331.db2.gz FPCLHPGKZKCENS-UHFFFAOYSA-N -1 2 371.462 3.432 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c(F)c1 ZINC000410398803 499660248 /nfs/dbraw/zinc/66/02/48/499660248.db2.gz RSQATQALWXONQD-UHFFFAOYSA-N -1 2 367.398 3.420 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2cccc3ccc(O)cc32)sc1C(=O)[O-] ZINC000439989775 500963342 /nfs/dbraw/zinc/96/33/42/500963342.db2.gz RVOJSOBTQZBKSL-UHFFFAOYSA-N -1 2 363.416 3.414 20 0 FGADLM CCn1cc[nH+]c1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000451751453 501365397 /nfs/dbraw/zinc/36/53/97/501365397.db2.gz BLWIYTVFVHBIIU-UHFFFAOYSA-N -1 2 368.673 3.342 20 0 FGADLM Oc1cccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1Br ZINC000459554172 501675417 /nfs/dbraw/zinc/67/54/17/501675417.db2.gz DALZLPXUNJIUSL-GFCCVEGCSA-N -1 2 356.651 3.452 20 0 FGADLM CCc1ccc(NS(=O)(=O)c2c(F)cc(OC)cc2F)c(C(=O)[O-])c1 ZINC000602734393 506278934 /nfs/dbraw/zinc/27/89/34/506278934.db2.gz LNLPXXNGIUHRDZ-UHFFFAOYSA-N -1 2 371.361 3.035 20 0 FGADLM CCCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2CC)s1 ZINC000486117541 502052080 /nfs/dbraw/zinc/05/20/80/502052080.db2.gz HXPAFWKIWYKPAM-UHFFFAOYSA-N -1 2 368.480 3.465 20 0 FGADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000479194902 502189654 /nfs/dbraw/zinc/18/96/54/502189654.db2.gz YQMLOFRCHQLXAY-UHFFFAOYSA-N -1 2 363.288 3.344 20 0 FGADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000462106707 502309789 /nfs/dbraw/zinc/30/97/89/502309789.db2.gz YOFZUFUSEULHGQ-UHFFFAOYSA-N -1 2 372.402 3.051 20 0 FGADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1C(CC)CC ZINC000480248731 502512611 /nfs/dbraw/zinc/51/26/11/502512611.db2.gz NXUSLHMYHKEXQN-UHFFFAOYSA-N -1 2 371.484 3.367 20 0 FGADLM CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000588833840 506350402 /nfs/dbraw/zinc/35/04/02/506350402.db2.gz SVNQQWNTAMQQAE-SNVBAGLBSA-N -1 2 355.437 3.263 20 0 FGADLM CC(C)Cn1ncc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1C(C)C ZINC000499270358 503370561 /nfs/dbraw/zinc/37/05/61/503370561.db2.gz XNJSBRIZPKNURV-UHFFFAOYSA-N -1 2 371.484 3.223 20 0 FGADLM C[C@H]1[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000494076663 503484215 /nfs/dbraw/zinc/48/42/15/503484215.db2.gz CVJAGIXGCHOSAH-XHDPSFHLSA-N -1 2 364.367 3.202 20 0 FGADLM C[C@H](Sc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000504666774 503602678 /nfs/dbraw/zinc/60/26/78/503602678.db2.gz YRTUYZORCKPTIQ-VIFPVBQESA-N -1 2 373.402 3.331 20 0 FGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)cs1 ZINC000535780506 504541820 /nfs/dbraw/zinc/54/18/20/504541820.db2.gz GDTMSQPCQSWUAC-UHFFFAOYSA-N -1 2 366.445 3.371 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])c(F)cc1F ZINC000542857706 504637619 /nfs/dbraw/zinc/63/76/19/504637619.db2.gz CADUYQVBFTVQFT-UHFFFAOYSA-N -1 2 369.389 3.481 20 0 FGADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1F ZINC000551108282 505158550 /nfs/dbraw/zinc/15/85/50/505158550.db2.gz PATQBQCLCBBYHA-UHFFFAOYSA-N -1 2 365.716 3.256 20 0 FGADLM C[C@@H](NC(=O)c1cccc2[nH]nnc21)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594400458 507114799 /nfs/dbraw/zinc/11/47/99/507114799.db2.gz QYZJINOATYAURN-KWCYVHTRSA-N -1 2 372.469 3.080 20 0 FGADLM Cc1oc(C)c(S(=O)(=O)Nc2nc3ccccc3s2)c1C(=O)[O-] ZINC000390240168 600051440 /nfs/dbraw/zinc/05/14/40/600051440.db2.gz BOKFTOFFLBMZNV-UHFFFAOYSA-N -1 2 352.393 3.005 20 0 FGADLM Cc1oc(C)c(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)c1C(=O)[O-] ZINC000321214750 600052965 /nfs/dbraw/zinc/05/29/65/600052965.db2.gz YLJNONHZFXTCPW-UHFFFAOYSA-N -1 2 358.441 3.149 20 0 FGADLM CSCc1cccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000738197131 600053000 /nfs/dbraw/zinc/05/30/00/600053000.db2.gz YPDNZOVIFJGVEG-UHFFFAOYSA-N -1 2 355.437 3.258 20 0 FGADLM CCCc1c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)[nH]c(C)c1C(=O)[O-] ZINC000737043642 600179047 /nfs/dbraw/zinc/17/90/47/600179047.db2.gz LFUREGXBPAYTFX-UHFFFAOYSA-N -1 2 371.372 3.150 20 0 FGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)cc1 ZINC000739890188 600244875 /nfs/dbraw/zinc/24/48/75/600244875.db2.gz UTTSMOVBEAKOSL-UHFFFAOYSA-N -1 2 374.443 3.238 20 0 FGADLM Cc1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1C(=O)[O-] ZINC000832973161 600988690 /nfs/dbraw/zinc/98/86/90/600988690.db2.gz XHXYHNWSGQFMHL-UHFFFAOYSA-N -1 2 361.206 3.196 20 0 FGADLM CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000829373150 601201850 /nfs/dbraw/zinc/20/18/50/601201850.db2.gz IDJIPWCXIBMWBS-UHFFFAOYSA-N -1 2 365.455 3.189 20 0 FGADLM Cc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000316910557 601360847 /nfs/dbraw/zinc/36/08/47/601360847.db2.gz YPWYVNLBUVVNBB-UHFFFAOYSA-N -1 2 361.206 3.196 20 0 FGADLM Cc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)s1 ZINC000755979635 601485839 /nfs/dbraw/zinc/48/58/39/601485839.db2.gz GADRSHJMJBSOFF-UHFFFAOYSA-N -1 2 364.807 3.051 20 0 FGADLM O=C([O-])c1csc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000833343755 602118499 /nfs/dbraw/zinc/11/84/99/602118499.db2.gz MZXJDVYNKLGRKN-UHFFFAOYSA-N -1 2 351.327 3.266 20 0 FGADLM C[C@@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000825449110 603402195 /nfs/dbraw/zinc/40/21/95/603402195.db2.gz KODHSCVAAGXCFK-MRVPVSSYSA-N -1 2 374.340 3.233 20 0 FGADLM CC(C)c1csc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC000325555170 605133576 /nfs/dbraw/zinc/13/35/76/605133576.db2.gz IXZZVENCGRVHBE-UHFFFAOYSA-N -1 2 366.464 3.184 20 0 FGADLM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000834287613 605993960 /nfs/dbraw/zinc/99/39/60/605993960.db2.gz ODUMOLDXLFCJLM-SMDDNHRTSA-N -1 2 352.818 3.040 20 0 FGADLM Cc1nc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000193500288 712893697 /nfs/dbraw/zinc/89/36/97/712893697.db2.gz TWKNQMAUHCUSCT-UHFFFAOYSA-N -1 2 361.206 3.196 20 0 FGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OC(C)C ZINC000782475139 724673081 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CC(C)(C)OC(=O)Nc1ccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278242693 497048429 /nfs/dbraw/zinc/04/84/29/497048429.db2.gz ZFRFQVVAXNHTFS-LLVKDONJSA-N -1 2 373.331 3.411 20 0 FGADLM C[N@H+]1CCO[C@H]([C@@H](NCc2cc(O)cc(F)c2)c2ccc(Cl)cc2)C1 ZINC000248623238 497061129 /nfs/dbraw/zinc/06/11/29/497061129.db2.gz BTEIPRJDNWSVGO-OALUTQOASA-N -1 2 364.848 3.346 20 0 FGADLM CSC[C@H]1CCC[N@H+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000292276638 497950102 /nfs/dbraw/zinc/95/01/02/497950102.db2.gz BJVSBTWOCCNQBS-AWEZNQCLSA-N -1 2 369.494 3.096 20 0 FGADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnoc1C1CC1 ZINC000414388501 499785036 /nfs/dbraw/zinc/78/50/36/499785036.db2.gz MAHFPJRWTHYAPO-UHFFFAOYSA-N -1 2 356.787 3.013 20 0 FGADLM CCc1ncc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])s1 ZINC000460765052 501915587 /nfs/dbraw/zinc/91/55/87/501915587.db2.gz CYGZWGDBVFGJEZ-UHFFFAOYSA-N -1 2 360.844 3.166 20 0 FGADLM COc1ccsc1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C ZINC000471132976 501930695 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CCc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1O ZINC000553210492 504853057 /nfs/dbraw/zinc/85/30/57/504853057.db2.gz CGUZEZLSRQENGQ-HKUYNNGSSA-N -1 2 360.404 3.408 20 0 FGADLM CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000589437623 506549325 /nfs/dbraw/zinc/54/93/25/506549325.db2.gz YNVNSLYNBGFKSY-UHFFFAOYSA-N -1 2 359.400 3.173 20 0 FGADLM COC(=O)C[C@@H](NC(=O)c1cccc2[nH]nnc21)c1cccc2ccccc21 ZINC000584148945 507178719 /nfs/dbraw/zinc/17/87/19/507178719.db2.gz NQYXPCSSZJYSBK-GOSISDBHSA-N -1 2 374.400 3.145 20 0 FGADLM CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000614883370 507683837 /nfs/dbraw/zinc/68/38/37/507683837.db2.gz OJMMTWLOBUQBBO-UHFFFAOYSA-N -1 2 355.437 3.344 20 0 FGADLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2ccccc2n1 ZINC000740136736 599883615 /nfs/dbraw/zinc/88/36/15/599883615.db2.gz WJUNFKGAUORCAY-UHFFFAOYSA-N -1 2 362.794 3.387 20 0 FGADLM Cc1cccc2sc(NS(=O)(=O)c3cccc(C(=O)[O-])c3C)nc21 ZINC000738277144 599966456 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CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]n1 ZINC000829215670 602102414 /nfs/dbraw/zinc/10/24/14/602102414.db2.gz FNEDOFAGZNKEMU-UMAGTOLTSA-N -1 2 363.439 3.212 20 0 FGADLM CC(C)c1cccnc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833511169 605053114 /nfs/dbraw/zinc/05/31/14/605053114.db2.gz DMYOXKCZONOLCB-UHFFFAOYSA-N -1 2 354.815 3.357 20 0 FGADLM Cc1sc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(C(=O)[O-])c1C ZINC000833757999 605302957 /nfs/dbraw/zinc/30/29/57/605302957.db2.gz HEXHPPDOAORLMF-MRVPVSSYSA-N -1 2 367.448 3.187 20 0 FGADLM COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000184872302 712677590 /nfs/dbraw/zinc/67/75/90/712677590.db2.gz GWYYBCBWVWLVBD-UHFFFAOYSA-N -1 2 373.217 3.380 20 0 FGADLM O=S(=O)(Nc1ccn(C2CCSCC2)n1)c1cccc(Cl)c1[O-] ZINC000634794616 717117682 /nfs/dbraw/zinc/11/76/82/717117682.db2.gz KRRHHOXQZXUMOB-UHFFFAOYSA-N -1 2 373.887 3.111 20 0 FGADLM Cc1ccc(F)c(N2CC(=O)C(C(=O)[N-]OCCCC(F)(F)F)=N2)c1 ZINC000871215541 733923886 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O=C(N=c1nc(-c2cccnc2)[nH]s1)c1c([O-])cc(Cl)cc1Cl ZINC000436674056 501185452 /nfs/dbraw/zinc/18/54/52/501185452.db2.gz GRPVYUBMMUTFAV-UHFFFAOYSA-N -1 2 367.217 3.287 20 0 FGADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2sccc2OC)cc1)C(=O)[O-] ZINC000463783960 501821143 /nfs/dbraw/zinc/82/11/43/501821143.db2.gz RLUSRLOSYBDKRB-GFCCVEGCSA-N -1 2 369.464 3.211 20 0 FGADLM CCCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1C(C)C ZINC000480243067 502511159 /nfs/dbraw/zinc/51/11/59/502511159.db2.gz CSYNYFRCKXKMLT-UHFFFAOYSA-N -1 2 369.443 3.207 20 0 FGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000480249773 502512844 /nfs/dbraw/zinc/51/28/44/502512844.db2.gz QPGNYWPBDNYBFR-UHFFFAOYSA-N -1 2 369.370 3.015 20 0 FGADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(F)c1F ZINC000484815304 502746611 /nfs/dbraw/zinc/74/66/11/502746611.db2.gz ZJITYHSULYVQKZ-UHFFFAOYSA-N -1 2 361.753 3.426 20 0 FGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000499272690 503370062 /nfs/dbraw/zinc/37/00/62/503370062.db2.gz MIRHPZUGIKGLTF-UHFFFAOYSA-N -1 2 369.443 3.063 20 0 FGADLM C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ncc(-c3ccccn3)s2)cc1 ZINC000508092954 503428923 /nfs/dbraw/zinc/42/89/23/503428923.db2.gz FPAZGSWUKWLFHV-UHFFFAOYSA-N -1 2 374.491 3.068 20 0 FGADLM C[C@@H](Sc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1)C(=O)[O-] ZINC000504680896 503604029 /nfs/dbraw/zinc/60/40/29/503604029.db2.gz PUSPNPVZBOXDFI-SECBINFHSA-N -1 2 373.402 3.331 20 0 FGADLM CCc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1F ZINC000512766566 503627797 /nfs/dbraw/zinc/62/77/97/503627797.db2.gz KGTSDMPXXAFBDJ-UHFFFAOYSA-N -1 2 355.362 3.335 20 0 FGADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)oc1C ZINC000537348199 503885471 /nfs/dbraw/zinc/88/54/71/503885471.db2.gz BEQOBHWPWBSTGD-UHFFFAOYSA-N -1 2 353.396 3.184 20 0 FGADLM CO[C@H](C)CCC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000543961572 503951757 /nfs/dbraw/zinc/95/17/57/503951757.db2.gz XQQZYFYDGAKVBH-MRVPVSSYSA-N -1 2 371.210 3.127 20 0 FGADLM O=C([O-])c1ccccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000542736196 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/nfs/dbraw/zinc/55/01/28/496550128.db2.gz RXOLTMCVTIEPCU-SECBINFHSA-N -1 2 369.830 3.007 20 0 FGADLM CC(C)(C)OC(=O)Nc1ccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278242694 497048242 /nfs/dbraw/zinc/04/82/42/497048242.db2.gz ZFRFQVVAXNHTFS-NSHDSACASA-N -1 2 373.331 3.411 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)cc2)sc1Cl ZINC000190336275 497441383 /nfs/dbraw/zinc/44/13/83/497441383.db2.gz TVFAASWXALZVLN-UHFFFAOYSA-N -1 2 374.915 3.451 20 0 FGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cncc3ccccc32)c(Cl)c1 ZINC000396434110 499563301 /nfs/dbraw/zinc/56/33/01/499563301.db2.gz XVJCWNOIRWTAEK-UHFFFAOYSA-N -1 2 362.794 3.387 20 0 FGADLM COc1cc(S(=O)(=O)Nc2cscc2C)c(Cl)cc1C(=O)[O-] ZINC000439059966 500851724 /nfs/dbraw/zinc/85/17/24/500851724.db2.gz WXUCLZMTMPTIPO-UHFFFAOYSA-N -1 2 361.828 3.218 20 0 FGADLM CCCc1nc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000486123893 502054863 /nfs/dbraw/zinc/05/48/63/502054863.db2.gz FNWNHFRNACCEJU-UHFFFAOYSA-N -1 2 354.453 3.211 20 0 FGADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461343195 502078038 /nfs/dbraw/zinc/07/80/38/502078038.db2.gz YNSDMBHCSBWSQB-UHFFFAOYSA-N -1 2 365.354 3.195 20 0 FGADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1F ZINC000484812542 502745040 /nfs/dbraw/zinc/74/50/40/502745040.db2.gz NDRYWLKNTZZYOG-UHFFFAOYSA-N -1 2 361.753 3.426 20 0 FGADLM Cn1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(=O)[O-] ZINC000491069470 503269213 /nfs/dbraw/zinc/26/92/13/503269213.db2.gz XGMNENIEYWEZFR-UHFFFAOYSA-N -1 2 372.402 3.316 20 0 FGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000504665802 503602692 /nfs/dbraw/zinc/60/26/92/503602692.db2.gz LTFHFCVTNHYUFR-SNVBAGLBSA-N -1 2 357.478 3.423 20 0 FGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1 ZINC000512767331 503628462 /nfs/dbraw/zinc/62/84/62/503628462.db2.gz QDMXVYLUNLYHAO-UHFFFAOYSA-N -1 2 361.753 3.426 20 0 FGADLM COc1ccc(O)c(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)c1 ZINC000537197459 503837852 /nfs/dbraw/zinc/83/78/52/503837852.db2.gz 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Cc1nc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000738364598 600054595 /nfs/dbraw/zinc/05/45/95/600054595.db2.gz VANYSTIJFCMGPW-VOTSOKGWSA-N -1 2 358.828 3.216 20 0 FGADLM Cc1cccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c1C(=O)[O-] ZINC000738747253 600055240 /nfs/dbraw/zinc/05/52/40/600055240.db2.gz PZIAYMPPINIQDM-UHFFFAOYSA-N -1 2 366.464 3.219 20 0 FGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000738347161 600472707 /nfs/dbraw/zinc/47/27/07/600472707.db2.gz CKZFJMJPYHTQBW-UHFFFAOYSA-N -1 2 354.434 3.165 20 0 FGADLM Cc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000755262073 601327395 /nfs/dbraw/zinc/32/73/95/601327395.db2.gz VTCDARFRZYFNHB-UHFFFAOYSA-N -1 2 365.194 3.097 20 0 FGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nc(C(C)C)cs2)c1C ZINC000320387650 601358596 /nfs/dbraw/zinc/35/85/96/601358596.db2.gz MCDMGXUUWGJKDY-UHFFFAOYSA-N -1 2 354.453 3.382 20 0 FGADLM CCC[C@H](C)c1cc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])[nH]n1 ZINC000829216689 602102208 /nfs/dbraw/zinc/10/22/08/602102208.db2.gz 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/nfs/dbraw/zinc/05/49/26/600054926.db2.gz JLGWJYWKPRFQMH-SREVYHEPSA-N -1 2 358.828 3.216 20 0 FGADLM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000740071777 600637949 /nfs/dbraw/zinc/63/79/49/600637949.db2.gz BQXUQPPVYYXGCJ-UHFFFAOYSA-N -1 2 365.716 3.256 20 0 FGADLM O=C([O-])C[C@H](NC(=O)c1c(O)cc(F)cc1F)c1cccc(Cl)c1 ZINC000833198892 600814267 /nfs/dbraw/zinc/81/42/67/600814267.db2.gz MKYHMXGXWIPZEV-LBPRGKRZSA-N -1 2 355.724 3.270 20 0 FGADLM Cc1cccc2sc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)nc21 ZINC000013349685 600827170 /nfs/dbraw/zinc/82/71/70/600827170.db2.gz IVLRBNSNLFUJTJ-UHFFFAOYSA-N -1 2 362.432 3.412 20 0 FGADLM COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000832123928 600888249 /nfs/dbraw/zinc/88/82/49/600888249.db2.gz DKLSQZCVCIBDSR-UHFFFAOYSA-N -1 2 366.377 3.105 20 0 FGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nc3ccsc3s2)c1C ZINC000832866689 601361753 /nfs/dbraw/zinc/36/17/53/601361753.db2.gz TXSUFYDMOUSDDL-UHFFFAOYSA-N -1 2 368.461 3.474 20 0 FGADLM Cc1ccc(O)c(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000832953542 601617307 /nfs/dbraw/zinc/61/73/07/601617307.db2.gz WJBVLLVMQAUKHI-UHFFFAOYSA-N -1 2 363.416 3.414 20 0 FGADLM O=C([O-])CCCc1csc(NS(=O)(=O)/C=C/c2ccc(F)cc2)n1 ZINC000833229585 601771477 /nfs/dbraw/zinc/77/14/77/601771477.db2.gz KDYLXZVQBNRMCA-CMDGGOBGSA-N -1 2 370.427 3.102 20 0 FGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000833294127 601847903 /nfs/dbraw/zinc/84/79/03/601847903.db2.gz FMFUKFUMBQIILZ-UHFFFAOYSA-N -1 2 365.169 3.027 20 0 FGADLM CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)[nH]n1 ZINC000829216700 602102167 /nfs/dbraw/zinc/10/21/67/602102167.db2.gz SCEQDXLLTRBSGW-LLVKDONJSA-N -1 2 351.428 3.121 20 0 FGADLM Cc1cc2cccnc2c(S(=O)(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000740093595 602653004 /nfs/dbraw/zinc/65/30/04/602653004.db2.gz MFVVWOGTCBGJKX-UHFFFAOYSA-N -1 2 357.391 3.434 20 0 FGADLM Cc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1NC(=O)[O-] ZINC000830182142 603279647 /nfs/dbraw/zinc/27/96/47/603279647.db2.gz RUAUXYPEJMBNDP-UHFFFAOYSA-N -1 2 372.406 3.067 20 0 FGADLM O=C([O-])CCc1csc(NS(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000833243818 604623309 /nfs/dbraw/zinc/62/33/09/604623309.db2.gz LRQIPIRCFMEDPP-UHFFFAOYSA-N -1 2 362.432 3.114 20 0 FGADLM CC(C)(C)Cc1csc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000833430018 605137832 /nfs/dbraw/zinc/13/78/32/605137832.db2.gz DLHVOUWUXYBWKR-UHFFFAOYSA-N -1 2 368.480 3.160 20 0 FGADLM CC(C)(C)Cc1csc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000833430797 605138902 /nfs/dbraw/zinc/13/89/02/605138902.db2.gz VGMJEQPMDIXLJA-UHFFFAOYSA-N -1 2 354.453 3.231 20 0 FGADLM CC(C)(C)Cc1csc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC000833430212 605139228 /nfs/dbraw/zinc/13/92/28/605139228.db2.gz JRGSVTWSIMFSLV-UHFFFAOYSA-N -1 2 368.480 3.372 20 0 FGADLM Cc1noc(C2CC2)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000126774120 700752542 /nfs/dbraw/zinc/75/25/42/700752542.db2.gz PGLZMPZUVHTQCD-UHFFFAOYSA-N -1 2 370.814 3.321 20 0 FGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc3ncsc3c2)cc1C(=O)[O-] ZINC000178954398 705682803 /nfs/dbraw/zinc/68/28/03/705682803.db2.gz KVVPZNYFNONJDB-UHFFFAOYSA-N -1 2 366.395 3.243 20 0 FGADLM C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000187727142 712752827 /nfs/dbraw/zinc/75/28/27/712752827.db2.gz GJYKPXVVDCTQPM-VIFPVBQESA-N -1 2 369.830 3.007 20 0 FGADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000195440720 713556441 /nfs/dbraw/zinc/55/64/41/713556441.db2.gz WHLBTIKCWHVBTM-UHFFFAOYSA-N -1 2 361.206 3.196 20 0 FGADLM CCCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000324930119 713817029 /nfs/dbraw/zinc/81/70/29/713817029.db2.gz XFEYKDGKYRSUSC-UHFFFAOYSA-N -1 2 353.371 3.114 20 0 FGADLM COc1c(C)ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1C ZINC000328107138 713824456 /nfs/dbraw/zinc/82/44/56/713824456.db2.gz TVVKZABMAMQCNQ-UHFFFAOYSA-N -1 2 371.361 3.089 20 0 FGADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000479358711 714089754 /nfs/dbraw/zinc/08/97/54/714089754.db2.gz ABNHFWFUDOLLBJ-UHFFFAOYSA-N -1 2 371.846 3.099 20 0 FGADLM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1F ZINC000618761847 714774608 /nfs/dbraw/zinc/77/46/08/714774608.db2.gz KXQBOXORFUOLEH-UHFFFAOYSA-N -1 2 361.753 3.426 20 0 FGADLM O=C([N-]OC/C=C/Cl)C1=NN(c2ccccc2C(F)(F)F)CC1=O ZINC000812405529 725396112 /nfs/dbraw/zinc/39/61/12/725396112.db2.gz AYJQTGCSXNELDV-ZZXKWVIFSA-N -1 2 361.707 3.011 20 0 FGADLM C[C@@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000825449002 729383811 /nfs/dbraw/zinc/38/38/11/729383811.db2.gz JHSMDDPHEPGRIV-SECBINFHSA-N -1 2 356.350 3.094 20 0 FGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000013278856 494284294 /nfs/dbraw/zinc/28/42/94/494284294.db2.gz ZYKVBNJVFAJGSS-UHFFFAOYSA-N -1 2 359.375 3.186 20 0 FGADLM O=C([O-])c1cc(NS(=O)(=O)c2cccs2)ccc1Br ZINC000128177225 495056154 /nfs/dbraw/zinc/05/61/54/495056154.db2.gz YBFBTNNWNOVERD-UHFFFAOYSA-N -1 2 362.226 3.010 20 0 FGADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000172605416 496360460 /nfs/dbraw/zinc/36/04/60/496360460.db2.gz DBTXHVFPKHPLPH-UHFFFAOYSA-N -1 2 373.352 3.267 20 0 FGADLM CCOc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc(Cl)c1O ZINC000298034528 498644587 /nfs/dbraw/zinc/64/45/87/498644587.db2.gz GKWYYXFSNXGZAT-JCGVRSQUSA-N -1 2 355.862 3.213 20 0 FGADLM Oc1ccc(CCCc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1F ZINC000579161607 506107119 /nfs/dbraw/zinc/10/71/19/506107119.db2.gz MKGFYMIPZVIVHE-WMLDXEAASA-N -1 2 361.417 3.015 20 0 FGADLM O=C1N=NC(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)S1 ZINC000367073257 499144047 /nfs/dbraw/zinc/14/40/47/499144047.db2.gz JOQNAUROSBHBKW-SSDOTTSWSA-N -1 2 350.391 3.099 20 0 FGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccc(C)nc21 ZINC000391683407 499557298 /nfs/dbraw/zinc/55/72/98/499557298.db2.gz VPRLBNSAIWXURN-UHFFFAOYSA-N -1 2 362.432 3.412 20 0 FGADLM CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)s1 ZINC000436995603 500588988 /nfs/dbraw/zinc/58/89/88/500588988.db2.gz QXHVZRJPYNKSJP-UHFFFAOYSA-N -1 2 355.437 3.250 20 0 FGADLM CSc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000471975139 502188794 /nfs/dbraw/zinc/18/87/94/502188794.db2.gz BMPMFPOEWQDSSC-UHFFFAOYSA-N -1 2 355.412 3.355 20 0 FGADLM COc1ncc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000476438341 502489523 /nfs/dbraw/zinc/48/95/23/502489523.db2.gz UQZIJFRZAXXYEG-UHFFFAOYSA-N -1 2 364.423 3.021 20 0 FGADLM O=C([O-])CCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000504681440 503604624 /nfs/dbraw/zinc/60/46/24/503604624.db2.gz YBVWGKWYWFQFAV-UHFFFAOYSA-N -1 2 373.789 3.133 20 0 FGADLM COc1ccsc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000543166646 503654600 /nfs/dbraw/zinc/65/46/00/503654600.db2.gz UQURQEFMTYAAJE-SNVBAGLBSA-N -1 2 355.437 3.136 20 0 FGADLM C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000544507932 504155390 /nfs/dbraw/zinc/15/53/90/504155390.db2.gz QZAXHQNDZZCPOW-DGCLKSJQSA-N -1 2 364.367 3.375 20 0 FGADLM COC(=O)[C@H]([NH2+]Cc1ccc(O)c2nc(C)ccc12)[C@@H]1CCC[C@H](OC)C1 ZINC000519409028 504214760 /nfs/dbraw/zinc/21/47/60/504214760.db2.gz QSUZSUMSYYFOAA-SIXWZSSISA-N -1 2 372.465 3.085 20 0 FGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnoc1-c1ccccc1 ZINC000538498265 504263743 /nfs/dbraw/zinc/26/37/43/504263743.db2.gz ROXJWHFVVUYDNR-UHFFFAOYSA-N -1 2 358.375 3.149 20 0 FGADLM COc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000548985688 504643973 /nfs/dbraw/zinc/64/39/73/504643973.db2.gz GRTCFSGGTQCVQB-UHFFFAOYSA-N -1 2 371.462 3.106 20 0 FGADLM CCc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1O ZINC000553210494 504852921 /nfs/dbraw/zinc/85/29/21/504852921.db2.gz CGUZEZLSRQENGQ-MJGOQNOKSA-N -1 2 360.404 3.408 20 0 FGADLM O=C(Cc1ccc(O)c(F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000567073165 505354920 /nfs/dbraw/zinc/35/49/20/505354920.db2.gz VOVIUJLFYCPDRH-OAHLLOKOSA-N -1 2 357.429 3.013 20 0 FGADLM O=C([O-])CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000322641888 599852493 /nfs/dbraw/zinc/85/24/93/599852493.db2.gz YDLRGDGHNFSXSU-UHFFFAOYSA-N -1 2 357.790 3.297 20 0 FGADLM Cc1ccc(C)c2sc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)nc21 ZINC000738264803 600054484 /nfs/dbraw/zinc/05/44/84/600054484.db2.gz OOALNCZZKHGXOH-UHFFFAOYSA-N -1 2 362.432 3.412 20 0 FGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000740144248 600055232 /nfs/dbraw/zinc/05/52/32/600055232.db2.gz LKYWIZNJCMRDTM-UHFFFAOYSA-N -1 2 370.427 3.050 20 0 FGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2nc3ccccc3s2)c1 ZINC000833297370 600975264 /nfs/dbraw/zinc/97/52/64/600975264.db2.gz MTCDZOPULGLARW-UHFFFAOYSA-N -1 2 368.823 3.449 20 0 FGADLM O=C([O-])c1ccncc1NS(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000833334631 601339327 /nfs/dbraw/zinc/33/93/27/601339327.db2.gz QGNFICNUMUIASI-UHFFFAOYSA-N -1 2 368.823 3.449 20 0 FGADLM CC(C)COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000826905137 602117245 /nfs/dbraw/zinc/11/72/45/602117245.db2.gz DIWLNKDOGVKUOO-UHFFFAOYSA-N -1 2 355.437 3.282 20 0 FGADLM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1-c1ncco1 ZINC000832952888 602203704 /nfs/dbraw/zinc/20/37/04/602203704.db2.gz JRZQUSKAAIMUDL-UHFFFAOYSA-N -1 2 364.404 3.211 20 0 FGADLM O=C([O-])N1CCCN(Cc2nc(=O)c3sccc3[nH]2)c2ccccc21 ZINC000832015526 603912002 /nfs/dbraw/zinc/91/20/02/603912002.db2.gz QCZOJJRXWMEBKI-UHFFFAOYSA-N -1 2 356.407 3.292 20 0 FGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cc1F ZINC000833744370 605265222 /nfs/dbraw/zinc/26/52/22/605265222.db2.gz CXFXZYNLJROQJD-UHFFFAOYSA-N -1 2 360.313 3.303 20 0 FGADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1C(=O)[O-] ZINC000684558494 722346712 /nfs/dbraw/zinc/34/67/12/722346712.db2.gz NJSLHIRLYVWBAP-UHFFFAOYSA-N -1 2 371.846 3.168 20 0 FGADLM COc1c(C)ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1C ZINC000749140284 722717535 /nfs/dbraw/zinc/71/75/35/722717535.db2.gz AKAZISCIGIEXIZ-UHFFFAOYSA-N -1 2 367.398 3.259 20 0 FGADLM CSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1C ZINC000774621919 723911474 /nfs/dbraw/zinc/91/14/74/723911474.db2.gz GEVUQIUNVMCREZ-UHFFFAOYSA-N -1 2 373.402 3.494 20 0 FGADLM CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1(C)C ZINC000120726273 495444332 /nfs/dbraw/zinc/44/43/32/495444332.db2.gz AJPBIQGPGITROK-CABCVRRESA-N -1 2 355.438 3.305 20 0 FGADLM Cn1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(C2CCCCC2)n1 ZINC000296787753 498196710 /nfs/dbraw/zinc/19/67/10/498196710.db2.gz SNUTUWQVAHTASM-UHFFFAOYSA-N -1 2 369.468 3.028 20 0 FGADLM Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C2CCCCC2)n1 ZINC000296816154 498208422 /nfs/dbraw/zinc/20/84/22/498208422.db2.gz VICJYGDJORDCGI-UHFFFAOYSA-N -1 2 369.468 3.028 20 0 FGADLM Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000365102752 498296709 /nfs/dbraw/zinc/29/67/09/498296709.db2.gz XFRRBAPNYKRNNJ-AWEZNQCLSA-N -1 2 374.872 3.053 20 0 FGADLM Cc1cc(Br)c(O)c(NC(=O)[C@@H]2CCCc3cn[nH]c32)c1 ZINC000376823348 499637762 /nfs/dbraw/zinc/63/77/62/499637762.db2.gz OTSBWGJVBBOLRN-SNVBAGLBSA-N -1 2 350.216 3.245 20 0 FGADLM CC(C)Oc1c(NS(=O)(=O)c2cncc(Cl)c2)cccc1C(=O)[O-] ZINC000410398696 499660282 /nfs/dbraw/zinc/66/02/82/499660282.db2.gz AHTKJEOUHGZMAY-UHFFFAOYSA-N -1 2 370.814 3.021 20 0 FGADLM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000439626877 500920422 /nfs/dbraw/zinc/92/04/22/500920422.db2.gz SDSFYDAZJTYBLV-UHFFFAOYSA-N -1 2 373.839 3.250 20 0 FGADLM CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)=N2)cc1 ZINC000441773035 501170229 /nfs/dbraw/zinc/17/02/29/501170229.db2.gz DQSVATHNPMTGGW-GDBMZVCRSA-N -1 2 368.481 3.056 20 0 FGADLM CCOc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)cc(Br)c1O ZINC000459334061 501633487 /nfs/dbraw/zinc/63/34/87/501633487.db2.gz CXYBKLWIUQLANS-NSHDSACASA-N -1 2 374.275 3.325 20 0 FGADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C)s1 ZINC000462098561 502305994 /nfs/dbraw/zinc/30/59/94/502305994.db2.gz CNGMOMRKVBSBJZ-UHFFFAOYSA-N -1 2 359.400 3.093 20 0 FGADLM CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000511104666 503255769 /nfs/dbraw/zinc/25/57/69/503255769.db2.gz CMLYJYPQVBACGZ-SNVBAGLBSA-N -1 2 355.437 3.424 20 0 FGADLM CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000511111121 503257650 /nfs/dbraw/zinc/25/76/50/503257650.db2.gz SRFZHTLMCKTBQT-UHFFFAOYSA-N -1 2 355.360 3.318 20 0 FGADLM CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(Br)c(F)c2)n1 ZINC000494242714 503510541 /nfs/dbraw/zinc/51/05/41/503510541.db2.gz VCBWSYUTVKYCCN-UHFFFAOYSA-N -1 2 354.223 3.278 20 0 FGADLM O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000504666781 503603050 /nfs/dbraw/zinc/60/30/50/503603050.db2.gz YXIXIGWRDIMZFG-UHFFFAOYSA-N -1 2 361.828 3.056 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCC3(C)C)sc1C(=O)[O-] ZINC000530141848 503851371 /nfs/dbraw/zinc/85/13/71/503851371.db2.gz NSAOFRRJJUXOQE-UHFFFAOYSA-N -1 2 367.448 3.226 20 0 FGADLM C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000544507933 504156035 /nfs/dbraw/zinc/15/60/35/504156035.db2.gz QZAXHQNDZZCPOW-WCQYABFASA-N -1 2 364.367 3.375 20 0 FGADLM 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Cc1nc2c(cccc2C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)o1 ZINC000473690331 502678875 /nfs/dbraw/zinc/67/88/75/502678875.db2.gz CIHNNPAIDPOEPB-UHFFFAOYSA-N -1 2 355.304 3.452 20 0 FGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C)s1 ZINC000505127705 502855819 /nfs/dbraw/zinc/85/58/19/502855819.db2.gz FPONMETZPRQLKQ-UHFFFAOYSA-N -1 2 361.828 3.218 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2ccc(S[C@H](C)C(=O)[O-])cc2)s1 ZINC000504658627 503601395 /nfs/dbraw/zinc/60/13/95/503601395.db2.gz YCBMZPZRYRMMML-SNVBAGLBSA-N -1 2 357.478 3.423 20 0 FGADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(C)c(C)cc1C(=O)[O-] ZINC000527280758 503750388 /nfs/dbraw/zinc/75/03/88/503750388.db2.gz ZQECOKWCJIOEJP-UHFFFAOYSA-N -1 2 365.455 3.197 20 0 FGADLM CO[C@@H](C)CCC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000543961573 503951710 /nfs/dbraw/zinc/95/17/10/503951710.db2.gz XQQZYFYDGAKVBH-QMMMGPOBSA-N -1 2 371.210 3.127 20 0 FGADLM CC1(C)Cc2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2O1 ZINC000530434800 503963233 /nfs/dbraw/zinc/96/32/33/503963233.db2.gz 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ZINC000738798455 600893889 /nfs/dbraw/zinc/89/38/89/600893889.db2.gz KUQBHDXBVDNMPG-UHFFFAOYSA-N -1 2 357.478 3.175 20 0 FGADLM Cc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)sc2c1 ZINC000326367872 600974255 /nfs/dbraw/zinc/97/42/55/600974255.db2.gz DQIXZEKCMUXILQ-UHFFFAOYSA-N -1 2 362.432 3.412 20 0 FGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3csc(C(=O)[O-])c3)sc2C1 ZINC000829133574 600976183 /nfs/dbraw/zinc/97/61/83/600976183.db2.gz BCHWGSIVZAORQD-MRVPVSSYSA-N -1 2 372.493 3.219 20 0 FGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2ccc3ccccc3n2)c1 ZINC000833296890 600979792 /nfs/dbraw/zinc/97/97/92/600979792.db2.gz CQTSWBNNAJIKEC-UHFFFAOYSA-N -1 2 362.794 3.387 20 0 FGADLM CCCCCc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)s1 ZINC000829373276 601502301 /nfs/dbraw/zinc/50/23/01/601502301.db2.gz OUJAUIHRKSBTQT-UHFFFAOYSA-N -1 2 369.468 3.078 20 0 FGADLM CCN(Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000739445160 602653989 /nfs/dbraw/zinc/65/39/89/602653989.db2.gz NNTGLYGQTPIYGX-UHFFFAOYSA-N -1 2 370.377 3.266 20 0 FGADLM Cc1cccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)c1C(=O)[O-] ZINC000112642054 700562012 /nfs/dbraw/zinc/56/20/12/700562012.db2.gz NOXLFUQMALKBHH-UHFFFAOYSA-N -1 2 361.206 3.196 20 0 FGADLM Cc1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)ccc2[nH]1 ZINC000160043693 705242198 /nfs/dbraw/zinc/24/21/98/705242198.db2.gz VSXXZVKARSYFJU-UHFFFAOYSA-N -1 2 366.345 3.254 20 0 FGADLM C[N@@H+](Cc1cc(Br)c(O)c(Br)c1)[C@@H]1CCOC1 ZINC000234280102 713579948 /nfs/dbraw/zinc/57/99/48/713579948.db2.gz MIWAFZWCIASXIW-SECBINFHSA-N -1 2 365.065 3.138 20 0 FGADLM CCCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000327864681 713824168 /nfs/dbraw/zinc/82/41/68/713824168.db2.gz LHPWOXRHJBQUNC-UHFFFAOYSA-N -1 2 371.361 3.253 20 0 FGADLM CC(=O)c1c(C)cccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000780420600 724465099 /nfs/dbraw/zinc/46/50/99/724465099.db2.gz OPSPPGVXBSSKFJ-UHFFFAOYSA-N -1 2 365.382 3.144 20 0 FGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1F ZINC000749141142 722717533 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Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc3cccnc32)c1 ZINC000178953873 496628834 /nfs/dbraw/zinc/62/88/34/496628834.db2.gz NQZSBFPDPLRDET-UHFFFAOYSA-N -1 2 360.366 3.181 20 0 FGADLM Cc1nc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2s1 ZINC000325681572 498839130 /nfs/dbraw/zinc/83/91/30/498839130.db2.gz QSPWITNCGDHOFR-UHFFFAOYSA-N -1 2 366.395 3.243 20 0 FGADLM COC(=O)[C@@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000298817242 498885905 /nfs/dbraw/zinc/88/59/05/498885905.db2.gz WQZCBWBMCZSAJH-CYBMUJFWSA-N -1 2 369.446 3.059 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ncsc2C(C)C)cc(C(=O)[O-])c1C ZINC000288120791 498948430 /nfs/dbraw/zinc/94/84/30/498948430.db2.gz CTFUARSJGVNFEY-UHFFFAOYSA-N -1 2 354.453 3.382 20 0 FGADLM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000366510856 498959607 /nfs/dbraw/zinc/95/96/07/498959607.db2.gz FKRJBDRAAMKFAW-IPYPFGDCSA-N -1 2 350.422 3.081 20 0 FGADLM CCCc1c(NC(=O)c2ccc3[nH]nnc3c2)cnn1-c1cc(C)ccn1 ZINC000373410671 499468092 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CO[C@@H](C)c1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512742339 503624177 /nfs/dbraw/zinc/62/41/77/503624177.db2.gz MCCRQTVYONSNBF-NSHDSACASA-N -1 2 367.398 3.341 20 0 FGADLM CCc1ccc(S(=O)(=O)Nc2cnoc2-c2ccccc2)cc1C(=O)[O-] ZINC000554150821 505106432 /nfs/dbraw/zinc/10/64/32/505106432.db2.gz VKFPNCYFBBEDKH-UHFFFAOYSA-N -1 2 372.402 3.403 20 0 FGADLM Cc1ccc(F)c(S(=O)(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000738606670 599927540 /nfs/dbraw/zinc/92/75/40/599927540.db2.gz JOZKSUJYYWLCDF-UHFFFAOYSA-N -1 2 369.439 3.253 20 0 FGADLM CSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738215168 600229306 /nfs/dbraw/zinc/22/93/06/600229306.db2.gz TZAMDWQUJWLMNW-UHFFFAOYSA-N -1 2 359.375 3.186 20 0 FGADLM CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737734025 600234952 /nfs/dbraw/zinc/23/49/52/600234952.db2.gz MLEMSIRJXGXVCW-SECBINFHSA-N -1 2 371.361 3.171 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc1C(=O)[O-] ZINC000832956491 600828314 /nfs/dbraw/zinc/82/83/14/600828314.db2.gz GUTRWPUEUGRNOK-ZDUSSCGKSA-N -1 2 365.455 3.298 20 0 FGADLM CCCCCn1nc(C)cc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000829373137 601201761 /nfs/dbraw/zinc/20/17/61/601201761.db2.gz HDZKBEVRVGWFKC-UHFFFAOYSA-N -1 2 365.455 3.189 20 0 FGADLM O=C([O-])COc1ccc(NC(=O)c2c(O)cc(Cl)cc2Cl)cc1 ZINC000833257977 601210253 /nfs/dbraw/zinc/21/02/53/601210253.db2.gz GQEKFDGFXGJRPN-UHFFFAOYSA-N -1 2 356.161 3.415 20 0 FGADLM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1nc(=O)c2sccc2[nH]1 ZINC000833179569 601540567 /nfs/dbraw/zinc/54/05/67/601540567.db2.gz PBQSISCHYUULBA-TZMCWYRMSA-N -1 2 361.467 3.252 20 0 FGADLM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000833179569 601540572 /nfs/dbraw/zinc/54/05/72/601540572.db2.gz PBQSISCHYUULBA-TZMCWYRMSA-N -1 2 361.467 3.252 20 0 FGADLM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000833179569 601540575 /nfs/dbraw/zinc/54/05/75/601540575.db2.gz PBQSISCHYUULBA-TZMCWYRMSA-N -1 2 361.467 3.252 20 0 FGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(C3CCCCCC3)n[nH]2)c1 ZINC000833334556 602309125 /nfs/dbraw/zinc/30/91/25/602309125.db2.gz RPMFHUSHHUOAMY-UHFFFAOYSA-N -1 2 363.439 3.347 20 0 FGADLM O=C([O-])[C@]1(F)CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC000833354006 604298351 /nfs/dbraw/zinc/29/83/51/604298351.db2.gz CLBKYWWDLWAWIO-SFHVURJKSA-N -1 2 363.772 3.351 20 0 FGADLM O=C([O-])CCc1csc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000833244298 604626177 /nfs/dbraw/zinc/62/61/77/604626177.db2.gz ZFFCOQSXJYNBTF-BQYQJAHWSA-N -1 2 372.855 3.226 20 0 FGADLM CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833475693 605166933 /nfs/dbraw/zinc/16/69/33/605166933.db2.gz SVERWBGTLUZQFZ-LLVKDONJSA-N -1 2 369.418 3.128 20 0 FGADLM COc1cc(NS(=O)(=O)c2cc(C)c(C)s2)ccc1NC(=O)[O-] ZINC000833887268 605860189 /nfs/dbraw/zinc/86/01/89/605860189.db2.gz DAHITYHXMKKDDL-UHFFFAOYSA-N -1 2 356.425 3.264 20 0 FGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc3ncsc3c2)c1F ZINC000177542647 705626840 /nfs/dbraw/zinc/62/68/40/705626840.db2.gz DXCHHXLXSOXJPA-UHFFFAOYSA-N -1 2 366.395 3.243 20 0 FGADLM O=C([O-])c1cc(NS(=O)(=O)c2c(F)cc(F)cc2F)ccc1Cl ZINC000053821564 494170120 /nfs/dbraw/zinc/17/01/20/494170120.db2.gz RUVMNENVMZALLU-UHFFFAOYSA-N -1 2 365.716 3.256 20 0 FGADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000145803555 495559400 /nfs/dbraw/zinc/55/94/00/495559400.db2.gz CQIYQIYPAGSDDD-UHFFFAOYSA-N -1 2 370.770 3.056 20 0 FGADLM Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000183346274 495941222 /nfs/dbraw/zinc/94/12/22/495941222.db2.gz SSNOBWXSOZVPMH-UHFFFAOYSA-N -1 2 372.402 3.457 20 0 FGADLM C[C@H](c1cccc(NC(=O)NOCc2ccc(F)cc2)c1)[NH+]1CCOCC1 ZINC000273370083 496786613 /nfs/dbraw/zinc/78/66/13/496786613.db2.gz FXRYXWHVBZAFGT-OAHLLOKOSA-N -1 2 373.428 3.472 20 0 FGADLM O=C([O-])c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1O ZINC000317726956 498794478 /nfs/dbraw/zinc/79/44/78/498794478.db2.gz KQDGDIFQZRSXNS-UHFFFAOYSA-N -1 2 362.190 3.198 20 0 FGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(C)C ZINC000320432953 498808263 /nfs/dbraw/zinc/80/82/63/498808263.db2.gz AYUOACXWHGAPHT-UHFFFAOYSA-N -1 2 355.437 3.343 20 0 FGADLM CCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323371601 498820925 /nfs/dbraw/zinc/82/09/25/498820925.db2.gz DLHOTQVBPJBJAP-UHFFFAOYSA-N -1 2 355.799 3.238 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ccc([C@@H]3CCOC3)cc2)sc1C(=O)[O-] ZINC000295217287 498946854 /nfs/dbraw/zinc/94/68/54/498946854.db2.gz QKMQUAZTFNWOQE-GFCCVEGCSA-N -1 2 367.448 3.059 20 0 FGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OC(C)C ZINC000447278070 500584737 /nfs/dbraw/zinc/58/47/37/500584737.db2.gz LKRTXCDIWSTRLX-UHFFFAOYSA-N -1 2 355.437 3.343 20 0 FGADLM COc1ccc(Br)c(C[N@H+](C)Cc2nc(C)ccc2O)c1 ZINC000432897824 500587181 /nfs/dbraw/zinc/58/71/81/500587181.db2.gz NXUBKTDQXRAJOV-UHFFFAOYSA-N -1 2 351.244 3.499 20 0 FGADLM CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)=N2)cc1 ZINC000441773036 501170541 /nfs/dbraw/zinc/17/05/41/501170541.db2.gz DQSVATHNPMTGGW-GOEBONIOSA-N -1 2 368.481 3.056 20 0 FGADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccc3ccc(C)nc32)c1 ZINC000436743258 501202152 /nfs/dbraw/zinc/20/21/52/501202152.db2.gz ZKODQWSFKFAXEJ-UHFFFAOYSA-N -1 2 372.402 3.056 20 0 FGADLM CCOc1cc(C[N@@H+]2CCN(CC)[C@@H](c3ncc[nH]3)C2)cc(Cl)c1O ZINC000459534005 501671400 /nfs/dbraw/zinc/67/14/00/501671400.db2.gz UADSKYOKVSLVDN-OAHLLOKOSA-N -1 2 364.877 3.046 20 0 FGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)[nH]n1 ZINC000485871712 501969185 /nfs/dbraw/zinc/96/91/85/501969185.db2.gz BTSNSBPNJNZZRA-UHFFFAOYSA-N -1 2 371.418 3.193 20 0 FGADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1Cl ZINC000462102066 502307652 /nfs/dbraw/zinc/30/76/52/502307652.db2.gz NPSCJFNRXKQURR-UHFFFAOYSA-N -1 2 373.789 3.377 20 0 FGADLM C[C@H](Sc1ccc(NS(=O)(=O)c2ccccc2F)cc1)C(=O)[O-] ZINC000504658270 503601620 /nfs/dbraw/zinc/60/16/20/503601620.db2.gz QWYSSOUVVDRHMG-JTQLQIEISA-N -1 2 355.412 3.192 20 0 FGADLM CCOc1cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)ccc1C ZINC000512790213 503632162 /nfs/dbraw/zinc/63/21/62/503632162.db2.gz ITTZCKVOKJXODV-UHFFFAOYSA-N -1 2 367.398 3.340 20 0 FGADLM CSCc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000518292027 503945109 /nfs/dbraw/zinc/94/51/09/503945109.db2.gz DHHPZXYIWHYIRM-UHFFFAOYSA-N -1 2 357.478 3.419 20 0 FGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(-c2ccccc2)s1 ZINC000535780552 504541956 /nfs/dbraw/zinc/54/19/56/504541956.db2.gz HKBWROTWRVXJOK-UHFFFAOYSA-N -1 2 364.404 3.211 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)sc1C ZINC000542732388 504591042 /nfs/dbraw/zinc/59/10/42/504591042.db2.gz CHVDCGTUKAKFLU-NSHDSACASA-N -1 2 353.465 3.429 20 0 FGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnoc1-c1ccccc1 ZINC000539596330 504620394 /nfs/dbraw/zinc/62/03/94/504620394.db2.gz IHSFQUXTEFRHKS-UHFFFAOYSA-N -1 2 358.375 3.149 20 0 FGADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)ccc1C(=O)[O-] ZINC000170851743 599925359 /nfs/dbraw/zinc/92/53/59/599925359.db2.gz SERAYTBDTARZPF-UHFFFAOYSA-N -1 2 361.206 3.196 20 0 FGADLM CC(C)c1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C(C)C)c1 ZINC000326785623 600674169 /nfs/dbraw/zinc/67/41/69/600674169.db2.gz PTBPEWYXJZDDDV-UHFFFAOYSA-N -1 2 365.455 3.015 20 0 FGADLM Cc1ccc2nc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)sc2c1 ZINC000105940111 600827032 /nfs/dbraw/zinc/82/70/32/600827032.db2.gz FAUVQCIFJZXZET-UHFFFAOYSA-N -1 2 362.432 3.412 20 0 FGADLM CC(C)c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)c(C(=O)[O-])c1 ZINC000736515480 600892182 /nfs/dbraw/zinc/89/21/82/600892182.db2.gz MHRZQTRRDYTYKE-UHFFFAOYSA-N -1 2 351.428 3.086 20 0 FGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1OC(C)C ZINC000738463863 600898193 /nfs/dbraw/zinc/89/81/93/600898193.db2.gz YLIDXCOIEIJUKT-UHFFFAOYSA-N -1 2 355.437 3.343 20 0 FGADLM Cc1cccc2sc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)nc21 ZINC000007051032 601358025 /nfs/dbraw/zinc/35/80/25/601358025.db2.gz CXPULNQZRPKOOL-UHFFFAOYSA-N -1 2 366.395 3.243 20 0 FGADLM CCC(CC)c1nnc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000828869914 601502073 /nfs/dbraw/zinc/50/20/73/601502073.db2.gz HCZVPUGKNPPEIF-UHFFFAOYSA-N -1 2 373.431 3.080 20 0 FGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000833334502 601504375 /nfs/dbraw/zinc/50/43/75/601504375.db2.gz QKQUPPSSZLOADG-UHFFFAOYSA-N -1 2 367.452 3.085 20 0 FGADLM Cc1sc(C(=O)[O-])cc1CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000833031983 601632425 /nfs/dbraw/zinc/63/24/25/601632425.db2.gz XQPGVNISVBGYDI-UHFFFAOYSA-N -1 2 366.464 3.424 20 0 FGADLM Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000218857110 601770542 /nfs/dbraw/zinc/77/05/42/601770542.db2.gz GLLQSGGUVKJAAI-UHFFFAOYSA-N -1 2 374.871 3.313 20 0 FGADLM CCC(C)(C)c1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000828611912 602155194 /nfs/dbraw/zinc/15/51/94/602155194.db2.gz JWIUGHOUBQESEM-UHFFFAOYSA-N -1 2 354.453 3.330 20 0 FGADLM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000739922669 602652315 /nfs/dbraw/zinc/65/23/15/602652315.db2.gz CJWDKLYZWNYPOH-UHFFFAOYSA-N -1 2 356.787 3.239 20 0 FGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1 ZINC000316618862 604404145 /nfs/dbraw/zinc/40/41/45/604404145.db2.gz KVWSBOQOIVHOPF-UHFFFAOYSA-N -1 2 361.206 3.196 20 0 FGADLM COc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000048382919 695876144 /nfs/dbraw/zinc/87/61/44/695876144.db2.gz REHHHJISRQATNJ-UHFFFAOYSA-N -1 2 355.799 3.156 20 0 FGADLM CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000328535489 713824983 /nfs/dbraw/zinc/82/49/83/713824983.db2.gz RUMLREZPBXKJNX-UHFFFAOYSA-N -1 2 371.361 3.251 20 0 FGADLM CSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000753772892 722912299 /nfs/dbraw/zinc/91/22/99/722912299.db2.gz SGFWKECNJUVLOB-UHFFFAOYSA-N -1 2 355.412 3.355 20 0 FGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc3c2ccn3C)cc1C(=O)[O-] ZINC000753777496 722912746 /nfs/dbraw/zinc/91/27/46/722912746.db2.gz GGZQXIREOWDVJT-UHFFFAOYSA-N -1 2 362.382 3.125 20 0 FGADLM CSCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000758951654 722997224 /nfs/dbraw/zinc/99/72/24/722997224.db2.gz 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/nfs/dbraw/zinc/02/82/82/503028282.db2.gz KZILTZRZSFMBSQ-UHFFFAOYSA-N -1 2 362.190 3.198 20 0 FGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000498510163 503198928 /nfs/dbraw/zinc/19/89/28/503198928.db2.gz YWFGRFXPHUUVIF-UHFFFAOYSA-N -1 2 371.386 3.403 20 0 FGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000511340750 503302884 /nfs/dbraw/zinc/30/28/84/503302884.db2.gz GVKWEDWBOCBDBT-UHFFFAOYSA-N -1 2 366.178 3.099 20 0 FGADLM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1O ZINC000530144391 503852696 /nfs/dbraw/zinc/85/26/96/503852696.db2.gz GJLWQPHSFKGGJI-UHFFFAOYSA-N -1 2 373.427 3.389 20 0 FGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c32)c(Cl)c1 ZINC000547500072 504128075 /nfs/dbraw/zinc/12/80/75/504128075.db2.gz MZARGOMABVCWJV-UHFFFAOYSA-N -1 2 350.783 3.320 20 0 FGADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000535687015 504507712 /nfs/dbraw/zinc/50/77/12/504507712.db2.gz UILOLMCERKMBCC-NSHDSACASA-N -1 2 363.439 3.231 20 0 FGADLM CC[C@H](C)n1nc(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1C ZINC000539397444 504556797 /nfs/dbraw/zinc/55/67/97/504556797.db2.gz MOQDVEIFIQDOKY-NSHDSACASA-N -1 2 365.455 3.278 20 0 FGADLM Cc1nc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)sc1C(=O)[O-] ZINC000738363074 600054643 /nfs/dbraw/zinc/05/46/43/600054643.db2.gz BTZCINVOJZAVPC-UHFFFAOYSA-N -1 2 367.235 3.257 20 0 FGADLM Cc1nc(NS(=O)(=O)c2cc(Cl)sc2Cl)sc1C(=O)[O-] ZINC000738363905 600054700 /nfs/dbraw/zinc/05/47/00/600054700.db2.gz PRKNOLBJJHHGPI-UHFFFAOYSA-N -1 2 373.264 3.319 20 0 FGADLM Cc1nc(NS(=O)(=O)/C=C/c2ccccc2Cl)sc1C(=O)[O-] ZINC000738363520 600055075 /nfs/dbraw/zinc/05/50/75/600055075.db2.gz JLGWJYWKPRFQMH-VOTSOKGWSA-N -1 2 358.828 3.216 20 0 FGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1[C@@H](C)CC(C)C ZINC000738546201 600055105 /nfs/dbraw/zinc/05/51/05/600055105.db2.gz MNHTVEZGGWRAPU-ZDUSSCGKSA-N -1 2 365.455 3.298 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2ccnn2C2CCCCC2)cc1C(=O)[O-] ZINC000832956525 600815573 /nfs/dbraw/zinc/81/55/73/600815573.db2.gz KVCIKNIZQBXKKZ-UHFFFAOYSA-N -1 2 363.439 3.196 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)CC(C)C)cc1C(=O)[O-] ZINC000832956490 600828508 /nfs/dbraw/zinc/82/85/08/600828508.db2.gz GUTRWPUEUGRNOK-CYBMUJFWSA-N -1 2 365.455 3.298 20 0 FGADLM CCn1nc(C)c(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1C ZINC000737312423 600889381 /nfs/dbraw/zinc/88/93/81/600889381.db2.gz NPSBGLKVWDXQPN-UHFFFAOYSA-N -1 2 373.434 3.172 20 0 FGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cnc1Cl ZINC000389445369 601575622 /nfs/dbraw/zinc/57/56/22/601575622.db2.gz GTQPPMUKVJIHAN-UHFFFAOYSA-N -1 2 361.206 3.196 20 0 FGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccccc2Cl)n1 ZINC000316383482 601771728 /nfs/dbraw/zinc/77/17/28/601771728.db2.gz PDVVUMKPXLJOAP-UHFFFAOYSA-N -1 2 360.844 3.005 20 0 FGADLM Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000833060246 601964787 /nfs/dbraw/zinc/96/47/87/601964787.db2.gz YOGQHHAHJVJMTH-UHFFFAOYSA-N -1 2 369.468 3.028 20 0 FGADLM CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)[nH]n1 ZINC000829216701 602102237 /nfs/dbraw/zinc/10/22/37/602102237.db2.gz SCEQDXLLTRBSGW-NSHDSACASA-N -1 2 351.428 3.121 20 0 FGADLM O=C([O-])N1CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3F)ccc21 ZINC000740529861 602246371 /nfs/dbraw/zinc/24/63/71/602246371.db2.gz NUZMEXXODSPBMH-UHFFFAOYSA-N -1 2 370.789 3.320 20 0 FGADLM Cc1cccc(S(=O)(=O)Nc2cc(C3CCCCC3)n[nH]2)c1C(=O)[O-] ZINC000832972657 602308197 /nfs/dbraw/zinc/30/81/97/602308197.db2.gz IZUHSWYCKSPATI-UHFFFAOYSA-N -1 2 363.439 3.265 20 0 FGADLM O=C([O-])NCc1cccc(NC(=O)c2cccc(Br)c2O)c1 ZINC000740680699 602593412 /nfs/dbraw/zinc/59/34/12/602593412.db2.gz RIUUTUHIGLPKNG-UHFFFAOYSA-N -1 2 365.183 3.175 20 0 FGADLM COc1cc(NS(=O)(=O)c2cccc(C)c2F)ccc1NC(=O)[O-] ZINC000833887797 605886334 /nfs/dbraw/zinc/88/63/34/605886334.db2.gz LNKVNYYGLWRPOG-UHFFFAOYSA-N -1 2 354.359 3.033 20 0 FGADLM CN(C)c1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000097393644 700462239 /nfs/dbraw/zinc/46/22/39/700462239.db2.gz FPABORATENDARS-UHFFFAOYSA-N -1 2 372.805 3.044 20 0 FGADLM C[N@@H+](Cc1cc(Br)c(O)c(Br)c1)[C@H]1CCOC1 ZINC000234280135 713579650 /nfs/dbraw/zinc/57/96/50/713579650.db2.gz MIWAFZWCIASXIW-VIFPVBQESA-N -1 2 365.065 3.138 20 0 FGADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(C(C)(C)C)n[nH]1 ZINC000392315065 713989632 /nfs/dbraw/zinc/98/96/32/713989632.db2.gz IHPQBKSLEPEBOJ-UHFFFAOYSA-N -1 2 371.846 3.168 20 0 FGADLM Cn1ncc(C2CCC2)c1C[NH2+]Cc1cccc(O)c1Br ZINC000657721062 719699592 /nfs/dbraw/zinc/69/95/92/719699592.db2.gz KTTMLRKDLFOCIH-UHFFFAOYSA-N -1 2 350.260 3.446 20 0 FGADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000751267222 722800473 /nfs/dbraw/zinc/80/04/73/722800473.db2.gz NNHPBSXOIVUUHO-UHFFFAOYSA-N -1 2 361.206 3.196 20 0 FGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000580222511 505707494 /nfs/dbraw/zinc/70/74/94/505707494.db2.gz BFJSADPQQKXKAA-UHFFFAOYSA-N -1 2 365.716 3.256 20 0 FGADLM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000066585380 494359162 /nfs/dbraw/zinc/35/91/62/494359162.db2.gz JJLISVBKLIANDJ-UHFFFAOYSA-N -1 2 351.428 3.086 20 0 FGADLM Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000126538534 494783354 /nfs/dbraw/zinc/78/33/54/494783354.db2.gz AAAKVUQLFAUTCM-UHFFFAOYSA-N -1 2 372.402 3.457 20 0 FGADLM C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000106863912 495502740 /nfs/dbraw/zinc/50/27/40/495502740.db2.gz ZOUHPLKQQHSCSD-BBRMVZONSA-N -1 2 369.490 3.387 20 0 FGADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1 ZINC000174729720 496080160 /nfs/dbraw/zinc/08/01/60/496080160.db2.gz OHHQRYODFMZHRS-UHFFFAOYSA-N -1 2 355.362 3.128 20 0 FGADLM CCOc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc(Cl)c1O ZINC000186660994 496096357 /nfs/dbraw/zinc/09/63/57/496096357.db2.gz AKJFZBDWHKKRKT-NSHDSACASA-N -1 2 351.834 3.015 20 0 FGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000184658233 496481798 /nfs/dbraw/zinc/48/17/98/496481798.db2.gz VDGALKRQXORFLR-LBPRGKRZSA-N -1 2 351.399 3.198 20 0 FGADLM O=C(NCC1(c2cccc(Br)c2)CC1)c1cccc2[nH]nnc21 ZINC000188004102 496647978 /nfs/dbraw/zinc/64/79/78/496647978.db2.gz OPBIVRKWIBHVMS-UHFFFAOYSA-N -1 2 371.238 3.182 20 0 FGADLM Cc1cc(NC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)ccc1C(=O)[O-] ZINC000237843705 497300588 /nfs/dbraw/zinc/30/05/88/497300588.db2.gz QPRHPDLOFDOMTF-UHFFFAOYSA-N -1 2 369.352 3.284 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)sc1C ZINC000271402497 497339424 /nfs/dbraw/zinc/33/94/24/497339424.db2.gz VSLKGMQOIAJSBY-UHFFFAOYSA-N -1 2 355.437 3.019 20 0 FGADLM COc1cc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)ccc1O ZINC000268092322 497676810 /nfs/dbraw/zinc/67/68/10/497676810.db2.gz UOPIQPVVBWIJNO-UHFFFAOYSA-N -1 2 355.438 3.106 20 0 FGADLM Cc1ccc2ncc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c(O)c2c1 ZINC000287307452 498709434 /nfs/dbraw/zinc/70/94/34/498709434.db2.gz LRHSSBZDWRFJNT-KBXCAEBGSA-N -1 2 350.422 3.169 20 0 FGADLM CCCOc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000324791211 498830944 /nfs/dbraw/zinc/83/09/44/498830944.db2.gz LRZMZGWWDMJOSQ-UHFFFAOYSA-N -1 2 353.396 3.184 20 0 FGADLM CC(C)Oc1c(NS(=O)(=O)c2cc(F)ccc2F)cccc1C(=O)[O-] ZINC000410400934 499660322 /nfs/dbraw/zinc/66/03/22/499660322.db2.gz KNXXVNKMUCOMQZ-UHFFFAOYSA-N -1 2 371.361 3.251 20 0 FGADLM Oc1cccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1Br ZINC000459554173 501675687 /nfs/dbraw/zinc/67/56/87/501675687.db2.gz DALZLPXUNJIUSL-LBPRGKRZSA-N -1 2 356.651 3.452 20 0 FGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OC3CCC3)c(F)c2)c1 ZINC000481982658 501935322 /nfs/dbraw/zinc/93/53/22/501935322.db2.gz PVIDEXLMMNPUMC-UHFFFAOYSA-N -1 2 371.411 3.318 20 0 FGADLM CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)[nH]n1 ZINC000476188363 502407493 /nfs/dbraw/zinc/40/74/93/502407493.db2.gz DRHURJZHFMBWFG-ZDUSSCGKSA-N -1 2 350.488 3.176 20 0 FGADLM CCCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C(C)C ZINC000480235188 502508607 /nfs/dbraw/zinc/50/86/07/502508607.db2.gz YCDGUHBXVDWXJH-UHFFFAOYSA-N -1 2 371.484 3.367 20 0 FGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(C)c1F ZINC000513431487 502937521 /nfs/dbraw/zinc/93/75/21/502937521.db2.gz IIUSVGZVJQRCTO-UHFFFAOYSA-N -1 2 355.412 3.355 20 0 FGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1 ZINC000512781262 503630641 /nfs/dbraw/zinc/63/06/41/503630641.db2.gz OLUXFKKMVJDBQX-UHFFFAOYSA-N -1 2 361.753 3.426 20 0 FGADLM CC[C@@H](C)n1nc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000537195034 503836785 /nfs/dbraw/zinc/83/67/85/503836785.db2.gz WJSXJQDOUXNKLK-GFCCVEGCSA-N -1 2 365.455 3.278 20 0 FGADLM C[NH+](C)[C@@H](C(=O)Nc1nncn1-c1ccccc1)c1cccc(Cl)c1 ZINC000537311148 503876556 /nfs/dbraw/zinc/87/65/56/503876556.db2.gz JTVZSNKJGWUVDY-MRXNPFEDSA-N -1 2 355.829 3.162 20 0 FGADLM CC(C)c1nsc(NCCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000530932464 504134386 /nfs/dbraw/zinc/13/43/86/504134386.db2.gz SBKPPLXNBRTJQI-UHFFFAOYSA-N -1 2 359.543 3.098 20 0 FGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)cc1 ZINC000535780854 504542237 /nfs/dbraw/zinc/54/22/37/504542237.db2.gz QJWRBRRVUVTZTE-UHFFFAOYSA-N -1 2 374.443 3.238 20 0 FGADLM CCc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000549929676 504937335 /nfs/dbraw/zinc/93/73/35/504937335.db2.gz LNENISSJYVSMJW-UHFFFAOYSA-N -1 2 358.803 3.006 20 0 FGADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000567536680 505491003 /nfs/dbraw/zinc/49/10/03/505491003.db2.gz VGXIRHMTYBLBPN-UHFFFAOYSA-N -1 2 374.340 3.216 20 0 FGADLM C[C@H](NC(=O)c1cccc2[nH]nnc21)c1ccc(Br)cc1F ZINC000583848387 507006051 /nfs/dbraw/zinc/00/60/51/507006051.db2.gz KYDKNGAPBUHXHF-QMMMGPOBSA-N -1 2 363.190 3.351 20 0 FGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(-n3cccc3)c2)c1 ZINC000327056131 599747153 /nfs/dbraw/zinc/74/71/53/599747153.db2.gz ZTRHAFFAEYNAIH-UHFFFAOYSA-N -1 2 360.366 3.115 20 0 FGADLM O=C([O-])CSCc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000739874586 599926767 /nfs/dbraw/zinc/92/67/67/599926767.db2.gz RLEZEWACCNDTQP-UHFFFAOYSA-N -1 2 373.402 3.083 20 0 FGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnc3ccccc3c2)c(F)cc1F ZINC000740089691 600231547 /nfs/dbraw/zinc/23/15/47/600231547.db2.gz IGGBMELEZCHLBM-UHFFFAOYSA-N -1 2 364.329 3.012 20 0 FGADLM O=C([O-])NCc1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000739992855 600332663 /nfs/dbraw/zinc/33/26/63/600332663.db2.gz UZEZOBXLLIZTKH-UHFFFAOYSA-N -1 2 365.183 3.175 20 0 FGADLM O=C([O-])c1ccncc1NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000833335284 601230795 /nfs/dbraw/zinc/23/07/95/601230795.db2.gz YWLOTXSEYNGIBF-UHFFFAOYSA-N -1 2 368.823 3.449 20 0 FGADLM O=C([O-])c1cc(-c2csc(NC(=O)c3cc(F)c(O)c(F)c3)n2)c[nH]1 ZINC000833166414 601387202 /nfs/dbraw/zinc/38/72/02/601387202.db2.gz XDGANIISNULCCI-UHFFFAOYSA-N -1 2 365.317 3.073 20 0 FGADLM O=C([O-])CCCc1csc(NS(=O)(=O)/C=C\c2ccc(F)cc2)n1 ZINC000833229586 601771421 /nfs/dbraw/zinc/77/14/21/601771421.db2.gz KDYLXZVQBNRMCA-HJWRWDBZSA-N -1 2 370.427 3.102 20 0 FGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cccc2c1CCCC2 ZINC000833741483 605124926 /nfs/dbraw/zinc/12/49/26/605124926.db2.gz OTSKLNXCGWMKAE-UHFFFAOYSA-N -1 2 351.449 3.434 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c(Cl)n1 ZINC000193341187 712887769 /nfs/dbraw/zinc/88/77/69/712887769.db2.gz FOZYKZGQHTVUPA-JTQLQIEISA-N -1 2 368.842 3.422 20 0 FGADLM Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000780415929 724464726 /nfs/dbraw/zinc/46/47/26/724464726.db2.gz FSAHUVPYEPETGB-UHFFFAOYSA-N -1 2 362.382 3.423 20 0 FGADLM CC(=O)c1c(C)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000780421202 724465087 /nfs/dbraw/zinc/46/50/87/724465087.db2.gz XATKIKINIPGJOO-UHFFFAOYSA-N -1 2 367.810 3.350 20 0 FGADLM O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccccc2O)c1 ZINC000751202355 722797990 /nfs/dbraw/zinc/79/79/90/722797990.db2.gz KWUTWKLYGYQLFO-UHFFFAOYSA-N -1 2 362.190 3.198 20 0 FGADLM CCCO[N-]C(=O)C1=NN(c2ccc(Cl)cc2C(F)(F)F)CC1=O ZINC000844150581 730688957 /nfs/dbraw/zinc/68/89/57/730688957.db2.gz QPCYAFGMWQDIBI-UHFFFAOYSA-N -1 2 363.723 3.322 20 0 FGADLM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)C[C@@H]2CCCC(C)(C)O2)c1 ZINC000901675660 743615910 /nfs/dbraw/zinc/61/59/10/743615910.db2.gz NOFUTCMARFTHNR-ZDUSSCGKSA-N -1 2 355.456 3.074 20 0 FGADLM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cccc3[nH]nnc32)C1 ZINC000182758546 495691508 /nfs/dbraw/zinc/69/15/08/495691508.db2.gz PXYSZZPGYOULSV-CYBMUJFWSA-N -1 2 369.856 3.176 20 0 FGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000184658217 496482266 /nfs/dbraw/zinc/48/22/66/496482266.db2.gz VDGALKRQXORFLR-GFCCVEGCSA-N -1 2 351.399 3.198 20 0 FGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1-c1ccccc1 ZINC000164996754 496644388 /nfs/dbraw/zinc/64/43/88/496644388.db2.gz DWXXNLSFBSJSQB-UHFFFAOYSA-N -1 2 358.375 3.149 20 0 FGADLM Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000365102753 498297631 /nfs/dbraw/zinc/29/76/31/498297631.db2.gz XFRRBAPNYKRNNJ-CQSZACIVSA-N -1 2 374.872 3.053 20 0 FGADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000320776054 498809728 /nfs/dbraw/zinc/80/97/28/498809728.db2.gz FXZNOVRZCKDFPI-UHFFFAOYSA-N -1 2 365.716 3.256 20 0 FGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000327507618 498860596 /nfs/dbraw/zinc/86/05/96/498860596.db2.gz QEDWXMUEOLIPHW-UHFFFAOYSA-N -1 2 364.379 3.352 20 0 FGADLM O=C([O-])Cc1cccc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)c1 ZINC000570493288 506180060 /nfs/dbraw/zinc/18/00/60/506180060.db2.gz LLFHVHWDQFGKML-UHFFFAOYSA-N -1 2 374.443 3.238 20 0 FGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000437001567 500591289 /nfs/dbraw/zinc/59/12/89/500591289.db2.gz WAKCWPMJWUDXFU-UHFFFAOYSA-N -1 2 362.190 3.198 20 0 FGADLM CCn1ncc(NS(=O)(=O)c2cccc(Cl)c2[O-])c1C(F)(F)F ZINC000451048658 501241803 /nfs/dbraw/zinc/24/18/03/501241803.db2.gz XHGAYAFQDGRUQQ-UHFFFAOYSA-N -1 2 369.752 3.082 20 0 FGADLM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)c1 ZINC000451049596 501241981 /nfs/dbraw/zinc/24/19/81/501241981.db2.gz JJGXSCJMWDGUIT-SFHVURJKSA-N -1 2 363.435 3.114 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2scnc2C(C)C)c(C)c1C(=O)[O-] ZINC000451101119 501245726 /nfs/dbraw/zinc/24/57/26/501245726.db2.gz ACDHCIPLHGNCSJ-UHFFFAOYSA-N -1 2 354.453 3.382 20 0 FGADLM CC(C)(C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1O ZINC000479570382 502300406 /nfs/dbraw/zinc/30/04/06/502300406.db2.gz VWCBZAQLLOVENP-UHFFFAOYSA-N -1 2 355.437 3.250 20 0 FGADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C)cc1F ZINC000462100492 502306102 /nfs/dbraw/zinc/30/61/02/502306102.db2.gz HAXWSJQUZWITDL-UHFFFAOYSA-N -1 2 371.361 3.171 20 0 FGADLM CCCCn1ncc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1C(C)C ZINC000480195221 502497669 /nfs/dbraw/zinc/49/76/69/502497669.db2.gz BPSOXKMUXVHXTB-UHFFFAOYSA-N -1 2 371.484 3.367 20 0 FGADLM CC(C)(C)n1cc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)nn1 ZINC000483834737 502503760 /nfs/dbraw/zinc/50/37/60/502503760.db2.gz QUKNUHQIWGHVLT-UHFFFAOYSA-N -1 2 361.409 3.224 20 0 FGADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1Cl ZINC000498020355 503089204 /nfs/dbraw/zinc/08/92/04/503089204.db2.gz JHHKOXKBIISODO-UHFFFAOYSA-N -1 2 355.799 3.156 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ccc3scnc3c2)sc1C(=O)[O-] ZINC000499236382 503362437 /nfs/dbraw/zinc/36/24/37/503362437.db2.gz XEHRMCHLQJHZIL-UHFFFAOYSA-N -1 2 354.434 3.165 20 0 FGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])c1 ZINC000541930808 504306889 /nfs/dbraw/zinc/30/68/89/504306889.db2.gz HWMXNDHKAGZZLX-UHFFFAOYSA-N -1 2 351.399 3.342 20 0 FGADLM CC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1C ZINC000535343099 504408742 /nfs/dbraw/zinc/40/87/42/504408742.db2.gz BERRFAKFTHXGLK-UHFFFAOYSA-N -1 2 353.421 3.067 20 0 FGADLM CC[C@@H](C)n1nc(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1C ZINC000539397443 504556470 /nfs/dbraw/zinc/55/64/70/504556470.db2.gz MOQDVEIFIQDOKY-LLVKDONJSA-N -1 2 365.455 3.278 20 0 FGADLM CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(Br)c1O ZINC000553388727 504901504 /nfs/dbraw/zinc/90/15/04/504901504.db2.gz IAIPLFZFEGCBGY-UHFFFAOYSA-N -1 2 355.276 3.103 20 0 FGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000320412168 599965895 /nfs/dbraw/zinc/96/58/95/599965895.db2.gz HXAHTGCQQVYUJU-UHFFFAOYSA-N -1 2 354.453 3.248 20 0 FGADLM CSCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000738194945 600100761 /nfs/dbraw/zinc/10/07/61/600100761.db2.gz MYNLLVIGCLOOSQ-UHFFFAOYSA-N -1 2 355.412 3.188 20 0 FGADLM CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000826763614 600975926 /nfs/dbraw/zinc/97/59/26/600975926.db2.gz GZGHEIGPDYDAQV-SNVBAGLBSA-N -1 2 357.457 3.051 20 0 FGADLM O=C([O-])c1ccnc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC000833334755 600983287 /nfs/dbraw/zinc/98/32/87/600983287.db2.gz JJTCQMRFLFRYIM-UHFFFAOYSA-N -1 2 368.370 3.480 20 0 FGADLM CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000826763935 601358280 /nfs/dbraw/zinc/35/82/80/601358280.db2.gz MAJMPNRICXPSJK-NSHDSACASA-N -1 2 369.418 3.128 20 0 FGADLM Cc1ccc(F)c(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000832933984 601363256 /nfs/dbraw/zinc/36/32/56/601363256.db2.gz GHBULKXNYBFIOR-UHFFFAOYSA-N -1 2 372.443 3.387 20 0 FGADLM CCC(CC)c1nnc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])s1 ZINC000828870275 601501594 /nfs/dbraw/zinc/50/15/94/601501594.db2.gz MKOMJSFUJQLXIE-UHFFFAOYSA-N -1 2 373.456 3.151 20 0 FGADLM CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000828870633 601501650 /nfs/dbraw/zinc/50/16/50/601501650.db2.gz SQCBBURRMJLAQG-UHFFFAOYSA-N -1 2 361.470 3.002 20 0 FGADLM Cc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c(C)n1 ZINC000325617543 601771034 /nfs/dbraw/zinc/77/10/34/601771034.db2.gz SHUMDFIVNGWRJM-UHFFFAOYSA-N -1 2 362.432 3.412 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000740148265 602646495 /nfs/dbraw/zinc/64/64/95/602646495.db2.gz UFESRYANDIQEKR-UHFFFAOYSA-N -1 2 352.437 3.288 20 0 FGADLM O=C([O-])CSCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000833262016 604998863 /nfs/dbraw/zinc/99/88/63/604998863.db2.gz OJANTEHSZIMXEE-UHFFFAOYSA-N -1 2 365.838 3.260 20 0 FGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3n[nH]cc32)c1Cl ZINC000156304802 705110366 /nfs/dbraw/zinc/11/03/66/705110366.db2.gz WZBJOROWLIOHBQ-UHFFFAOYSA-N -1 2 365.798 3.024 20 0 FGADLM CC(C)(C)Oc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000523726941 714249473 /nfs/dbraw/zinc/24/94/73/714249473.db2.gz WQKUTOXOFKGFPZ-UHFFFAOYSA-N -1 2 355.437 3.424 20 0 FGADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)(C)C)n[nH]1 ZINC000675548942 721760458 /nfs/dbraw/zinc/76/04/58/721760458.db2.gz AQXJTFYBZPYRTQ-UHFFFAOYSA-N -1 2 371.846 3.168 20 0 FGADLM CSc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000775678691 724022662 /nfs/dbraw/zinc/02/26/62/724022662.db2.gz ILDSOVCXVXCTEZ-UHFFFAOYSA-N -1 2 355.412 3.355 20 0 FGADLM O=C([O-])c1cc2cccnc2c(NS(=O)(=O)C[C@@H]2CCCC2(F)F)c1 ZINC000903523337 743857587 /nfs/dbraw/zinc/85/75/87/743857587.db2.gz UEYPOURODFRATD-LBPRGKRZSA-N -1 2 370.377 3.110 20 0 FGADLM C=C(C)COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000066587704 494360744 /nfs/dbraw/zinc/36/07/44/494360744.db2.gz QXUFAPWSLXJBRF-UHFFFAOYSA-N -1 2 353.421 3.202 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)sc1C(=O)[O-] ZINC000045946201 494478566 /nfs/dbraw/zinc/47/85/66/494478566.db2.gz YYKIETQRVCQFTL-UHFFFAOYSA-N -1 2 356.812 3.081 20 0 FGADLM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185231919 496712444 /nfs/dbraw/zinc/71/24/44/496712444.db2.gz SZWVJOLSPFPOAF-UHFFFAOYSA-N -1 2 370.308 3.084 20 0 FGADLM CCOc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc(Cl)c1O ZINC000298034533 498644123 /nfs/dbraw/zinc/64/41/23/498644123.db2.gz GKWYYXFSNXGZAT-ZJNRKIDTSA-N -1 2 355.862 3.213 20 0 FGADLM C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000298815484 498885987 /nfs/dbraw/zinc/88/59/87/498885987.db2.gz AZECCKLPHWUJKO-ZSBIGDGJSA-N -1 2 359.451 3.391 20 0 FGADLM Cn1ncc2c1[nH]cc(C(=O)N1C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]31)c2=O ZINC000376160370 499587479 /nfs/dbraw/zinc/58/74/79/499587479.db2.gz NLHFFHBSQOUBLR-QGTPRVQTSA-N -1 2 362.433 3.082 20 0 FGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)nn1C(C)C ZINC000421176023 499983414 /nfs/dbraw/zinc/98/34/14/499983414.db2.gz RBQMFQSWYQWPCJ-UHFFFAOYSA-N -1 2 365.455 3.395 20 0 FGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc(C)c1Cl ZINC000442251384 500575818 /nfs/dbraw/zinc/57/58/18/500575818.db2.gz MZOQEDNUNFLLOB-UHFFFAOYSA-N -1 2 355.799 3.161 20 0 FGADLM CSc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000433495338 500704497 /nfs/dbraw/zinc/70/44/97/500704497.db2.gz DYISJIANBRMSBV-UHFFFAOYSA-N -1 2 373.839 3.267 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2cccc(OC(C)C)c2)sc1C(=O)[O-] ZINC000451090386 501244859 /nfs/dbraw/zinc/24/48/59/501244859.db2.gz OLTULAXLKIFMDN-UHFFFAOYSA-N -1 2 355.437 3.343 20 0 FGADLM COc1ccccc1C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C[C@@H]1CCCO1 ZINC000459291265 501625800 /nfs/dbraw/zinc/62/58/00/501625800.db2.gz DCXGIYIFTJBGSL-SFHVURJKSA-N -1 2 369.465 3.249 20 0 FGADLM Oc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1Br ZINC000459338958 501634530 /nfs/dbraw/zinc/63/45/30/501634530.db2.gz SOLFGWSKPLCSLY-BXKDBHETSA-N -1 2 354.166 3.042 20 0 FGADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1F ZINC000484959486 502787165 /nfs/dbraw/zinc/78/71/65/502787165.db2.gz LAKIXWYVJAJDCY-UHFFFAOYSA-N -1 2 371.361 3.251 20 0 FGADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)s1 ZINC000484970260 502790062 /nfs/dbraw/zinc/79/00/62/502790062.db2.gz MERBEXVQPDFBGE-UHFFFAOYSA-N -1 2 355.437 3.344 20 0 FGADLM Cc1ccsc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000484979758 502791679 /nfs/dbraw/zinc/79/16/79/502791679.db2.gz LINOGSOHHPAWAU-UHFFFAOYSA-N -1 2 355.437 3.343 20 0 FGADLM Cc1cc2cccnc2c(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000507023172 503215361 /nfs/dbraw/zinc/21/53/61/503215361.db2.gz WGTTWPXOOCJEKU-UHFFFAOYSA-N -1 2 374.393 3.490 20 0 FGADLM CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC000541165616 504029213 /nfs/dbraw/zinc/02/92/13/504029213.db2.gz QQVZQCMQBCFTNJ-UHFFFAOYSA-N -1 2 359.812 3.103 20 0 FGADLM Cc1cc(C)c(NS(=O)(=O)c2cc(F)c(F)cc2F)c(C(=O)[O-])c1 ZINC000520643152 504547465 /nfs/dbraw/zinc/54/74/65/504547465.db2.gz WTPMBOLNNKKODS-UHFFFAOYSA-N -1 2 359.325 3.220 20 0 FGADLM 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ZINC000093909331 700456399 /nfs/dbraw/zinc/45/63/99/700456399.db2.gz PGDAAKSKIXXXCO-UHFFFAOYSA-N -1 2 365.798 3.024 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(Cl)n1 ZINC000184052185 705916273 /nfs/dbraw/zinc/91/62/73/705916273.db2.gz ATEHYVNVQNKCHD-UHFFFAOYSA-N -1 2 361.206 3.196 20 0 FGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC1CC1 ZINC000524855931 714305650 /nfs/dbraw/zinc/30/56/50/714305650.db2.gz BWEIQUNOTIGGNQ-UHFFFAOYSA-N -1 2 367.448 3.344 20 0 FGADLM COc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1C ZINC000782486604 724674706 /nfs/dbraw/zinc/67/47/06/724674706.db2.gz XTRXHMMWUKYXDV-UHFFFAOYSA-N -1 2 367.398 3.259 20 0 FGADLM CSc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1 ZINC000749142770 722717583 /nfs/dbraw/zinc/71/75/83/722717583.db2.gz LEYTXTFFKPGKAD-UHFFFAOYSA-N -1 2 355.412 3.355 20 0 FGADLM COc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753774405 722912483 /nfs/dbraw/zinc/91/24/83/722912483.db2.gz KOLALKXYQKSKKX-UHFFFAOYSA-N -1 2 369.826 3.464 20 0 FGADLM C[C@@H](Sc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1)C(=O)[O-] ZINC000794766817 723545122 /nfs/dbraw/zinc/54/51/22/723545122.db2.gz IJXAOZUMJAQIQU-SECBINFHSA-N -1 2 372.855 3.101 20 0 FGADLM COc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000766578707 723582139 /nfs/dbraw/zinc/58/21/39/723582139.db2.gz ZOVBXXNALMFFIZ-UHFFFAOYSA-N -1 2 355.799 3.156 20 0 FGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)c1 ZINC000799129222 723989872 /nfs/dbraw/zinc/98/98/72/723989872.db2.gz NLVPBXFJZZIMBR-UHFFFAOYSA-N -1 2 353.346 3.341 20 0 FGADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)c1 ZINC000799129351 723989966 /nfs/dbraw/zinc/98/99/66/723989966.db2.gz MLCQEDYULGGFQG-UHFFFAOYSA-N -1 2 371.336 3.480 20 0 FGADLM O=C([O-])c1cccc(NS(=O)(=O)c2csnc2-c2ccccc2)c1 ZINC000821116713 729059702 /nfs/dbraw/zinc/05/97/02/729059702.db2.gz WGISDBSFFODVQE-UHFFFAOYSA-N -1 2 360.416 3.309 20 0 FGADLM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000060367191 493926979 /nfs/dbraw/zinc/92/69/79/493926979.db2.gz HILNIKJQGXDMPB-UHFFFAOYSA-N -1 2 365.716 3.256 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C)sc1C(=O)[O-] ZINC000137777407 495451240 /nfs/dbraw/zinc/45/12/40/495451240.db2.gz GYUCJXZOGRJAMZ-UHFFFAOYSA-N -1 2 371.484 3.107 20 0 FGADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000184653154 496480802 /nfs/dbraw/zinc/48/08/02/496480802.db2.gz TUAZUCYECAYCSH-JTQLQIEISA-N -1 2 355.362 3.029 20 0 FGADLM O=C(Nc1ccccc1O)C1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000294870771 498833127 /nfs/dbraw/zinc/83/31/27/498833127.db2.gz KCOSRCSXPPURMX-UHFFFAOYSA-N -1 2 362.376 3.227 20 0 FGADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1sc(C)cc1C ZINC000430993500 500319280 /nfs/dbraw/zinc/31/92/80/500319280.db2.gz YHKSWNZIWYZGNW-UHFFFAOYSA-N -1 2 373.427 3.402 20 0 FGADLM Oc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1Br ZINC000459338960 501634379 /nfs/dbraw/zinc/63/43/79/501634379.db2.gz SOLFGWSKPLCSLY-JOYOIKCWSA-N -1 2 354.166 3.042 20 0 FGADLM CCOc1cc(C[N@@H+](C)CC(=O)NCc2ccccc2)cc(Cl)c1O ZINC000459350944 501637320 /nfs/dbraw/zinc/63/73/20/501637320.db2.gz UCIHVOSVJNYUGX-UHFFFAOYSA-N -1 2 362.857 3.193 20 0 FGADLM COC(=O)c1cc(C)nc2nc(SCc3ccc(C)[nH+]c3C)[nH]c(=O)c21 ZINC000479203714 502191533 /nfs/dbraw/zinc/19/15/33/502191533.db2.gz GHRHFPKDSPMGAZ-UHFFFAOYSA-N -1 2 370.434 3.130 20 0 FGADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000484977436 502791439 /nfs/dbraw/zinc/79/14/39/502791439.db2.gz SHDFVPKUUDRIMV-UHFFFAOYSA-N -1 2 371.361 3.251 20 0 FGADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(C)c1F ZINC000513457138 502943620 /nfs/dbraw/zinc/94/36/20/502943620.db2.gz HUFKZVYTAVHTKE-UHFFFAOYSA-N -1 2 371.361 3.171 20 0 FGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)[nH]n1 ZINC000507880505 503386515 /nfs/dbraw/zinc/38/65/15/503386515.db2.gz XQFHGETXAHGCGF-UHFFFAOYSA-N -1 2 371.418 3.193 20 0 FGADLM CCOc1cc(C)ccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512756975 503626302 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Cc1cccc2sc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)nc21 ZINC000738750001 600054267 /nfs/dbraw/zinc/05/42/67/600054267.db2.gz NGKBHKFCDQGGAI-UHFFFAOYSA-N -1 2 354.434 3.165 20 0 FGADLM Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738604113 600229388 /nfs/dbraw/zinc/22/93/88/600229388.db2.gz CJHCSOLLOGIJFP-UHFFFAOYSA-N -1 2 361.753 3.426 20 0 FGADLM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000740290879 600695123 /nfs/dbraw/zinc/69/51/23/600695123.db2.gz WHIOSRREPPMYQS-UHFFFAOYSA-N -1 2 371.411 3.175 20 0 FGADLM CC(C)n1cc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])cn1 ZINC000736532162 600889298 /nfs/dbraw/zinc/88/92/98/600889298.db2.gz AOBZWFIYSLXVNE-UHFFFAOYSA-N -1 2 359.407 3.116 20 0 FGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000314550670 601357208 /nfs/dbraw/zinc/35/72/08/601357208.db2.gz YVPPDUYMTHNPQJ-UHFFFAOYSA-N -1 2 351.327 3.266 20 0 FGADLM CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000826764524 601847518 /nfs/dbraw/zinc/84/75/18/601847518.db2.gz 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CC(C)[C@@]1(CO)CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000573582254 505571542 /nfs/dbraw/zinc/57/15/42/505571542.db2.gz MZXWDSBIZRKYBZ-FQEVSTJZSA-N -1 2 355.438 3.312 20 0 FGADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000154460152 495622665 /nfs/dbraw/zinc/62/26/65/495622665.db2.gz HHLZSVFLXSQFBY-UHFFFAOYSA-N -1 2 374.187 3.087 20 0 FGADLM O=C([O-])c1cc(Br)cc(NS(=O)(=O)c2ccccc2F)c1 ZINC000155527560 495984291 /nfs/dbraw/zinc/98/42/91/495984291.db2.gz JAFKICQNDRZRLG-UHFFFAOYSA-N -1 2 374.187 3.087 20 0 FGADLM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1 ZINC000181772196 496537863 /nfs/dbraw/zinc/53/78/63/496537863.db2.gz ILHYEOPGVXUTNB-SNVBAGLBSA-N -1 2 355.362 3.344 20 0 FGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1-c1ncco1 ZINC000164729795 496629842 /nfs/dbraw/zinc/62/98/42/496629842.db2.gz PRKMZGSEOYZAJU-UHFFFAOYSA-N -1 2 364.404 3.211 20 0 FGADLM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cccc2[nH]nnc21 ZINC000188856222 496929083 /nfs/dbraw/zinc/92/90/83/496929083.db2.gz 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ZINC000829216646 602102539 /nfs/dbraw/zinc/10/25/39/602102539.db2.gz QFYFCJXQHFWMGA-SECBINFHSA-N -1 2 371.846 3.466 20 0 FGADLM CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000825951998 602316085 /nfs/dbraw/zinc/31/60/85/602316085.db2.gz VPPMFKRBMAIHCW-UHFFFAOYSA-N -1 2 359.812 3.103 20 0 FGADLM O=C([O-])Nc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000740713275 602646048 /nfs/dbraw/zinc/64/60/48/602646048.db2.gz UCRHVHWLHKCOCS-UHFFFAOYSA-N -1 2 362.194 3.279 20 0 FGADLM COCc1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC000833725677 605302439 /nfs/dbraw/zinc/30/24/39/605302439.db2.gz FVXUIFWBGMNCSL-UHFFFAOYSA-N -1 2 355.437 3.010 20 0 FGADLM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000834287612 605993911 /nfs/dbraw/zinc/99/39/11/605993911.db2.gz ODUMOLDXLFCJLM-RISCZKNCSA-N -1 2 352.818 3.040 20 0 FGADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1 ZINC000322551689 713813536 /nfs/dbraw/zinc/81/35/36/713813536.db2.gz HMDROHDUNFZXIR-UHFFFAOYSA-N -1 2 365.716 3.256 20 0 FGADLM CCCOc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1F ZINC000629332131 716268668 /nfs/dbraw/zinc/26/86/68/716268668.db2.gz GBJFOSOVPSCFDG-UHFFFAOYSA-N -1 2 373.427 3.483 20 0 FGADLM COc1cccc(S(=O)(=O)Nc2ccc(C)cc2C[NH+](C)C)c1F ZINC000656182678 719370149 /nfs/dbraw/zinc/37/01/49/719370149.db2.gz VPEMYAGRXUAFSR-UHFFFAOYSA-N -1 2 352.431 3.005 20 0 FGADLM COc1ccc2c(c1NS(=O)(=O)c1cc(C(=O)[O-])sc1C)CCC2 ZINC000682874508 722269582 /nfs/dbraw/zinc/26/95/82/722269582.db2.gz ULAQDVBDWQBBTD-UHFFFAOYSA-N -1 2 367.448 3.053 20 0 FGADLM CSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000749142728 722717561 /nfs/dbraw/zinc/71/75/61/722717561.db2.gz ROTFAPBHMCIFCI-UHFFFAOYSA-N -1 2 355.412 3.355 20 0 FGADLM CSCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000758950949 722997246 /nfs/dbraw/zinc/99/72/46/722997246.db2.gz MBZNEXDZQODZPF-UHFFFAOYSA-N -1 2 369.439 3.496 20 0 FGADLM O=C([O-])c1ccc(NS(=O)(=O)c2sccc2Br)cc1 ZINC000048440696 493828268 /nfs/dbraw/zinc/82/82/68/493828268.db2.gz YLVGTTIZDJMDQE-UHFFFAOYSA-N -1 2 362.226 3.010 20 0 FGADLM CC(C)c1ccc(C[NH+]2CCN(C(=O)c3c(O)cccc3O)CC2)cc1 ZINC000125580020 495466363 /nfs/dbraw/zinc/46/63/63/495466363.db2.gz PDGPFBQBYNJLAY-UHFFFAOYSA-N -1 2 354.450 3.179 20 0 FGADLM Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c(O)c1 ZINC000184854528 496559253 /nfs/dbraw/zinc/55/92/53/496559253.db2.gz DGBAXGIKRVVMMT-UHFFFAOYSA-N -1 2 351.406 3.250 20 0 FGADLM CO[C@@](C)(C(=O)Nc1nc(-c2ccccc2F)n[nH]1)c1ccccc1F ZINC000192345285 497081177 /nfs/dbraw/zinc/08/11/77/497081177.db2.gz KMUULRAOXIZENT-GOSISDBHSA-N -1 2 358.348 3.250 20 0 FGADLM CCOc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc(Cl)c1O ZINC000298034531 498645082 /nfs/dbraw/zinc/64/50/82/498645082.db2.gz GKWYYXFSNXGZAT-VEVIJQCQSA-N -1 2 355.862 3.213 20 0 FGADLM CC(C)COc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000319731407 498804174 /nfs/dbraw/zinc/80/41/74/498804174.db2.gz CAYALALZGQDLFF-UHFFFAOYSA-N -1 2 355.437 3.282 20 0 FGADLM CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000325839321 498840134 /nfs/dbraw/zinc/84/01/34/498840134.db2.gz RFEAGMGHTBWSOP-UHFFFAOYSA-N -1 2 372.805 3.044 20 0 FGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000430990432 500318811 /nfs/dbraw/zinc/31/88/11/500318811.db2.gz OLQSDNBBXBDGFF-JTQLQIEISA-N -1 2 353.465 3.429 20 0 FGADLM COc1ccccc1C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C[C@H]1CCCO1 ZINC000459291264 501625709 /nfs/dbraw/zinc/62/57/09/501625709.db2.gz DCXGIYIFTJBGSL-GOSISDBHSA-N -1 2 369.465 3.249 20 0 FGADLM C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccco1 ZINC000485439935 501820811 /nfs/dbraw/zinc/82/08/11/501820811.db2.gz MBXABCUQSQYJTP-GFCCVEGCSA-N -1 2 363.266 3.168 20 0 FGADLM CCc1ncc(S(=O)(=O)Nc2ccc(C[C@@H](CC)C(=O)[O-])cc2)s1 ZINC000463782385 501820821 /nfs/dbraw/zinc/82/08/21/501820821.db2.gz MNVXEFGBOAFPDX-GFCCVEGCSA-N -1 2 368.480 3.160 20 0 FGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)(C)C)c1O ZINC000479562197 502298344 /nfs/dbraw/zinc/29/83/44/502298344.db2.gz HXOPUKJTBJJYHM-UHFFFAOYSA-N -1 2 353.396 3.090 20 0 FGADLM Cc1cccc([C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F)c1 ZINC000582664474 506354479 /nfs/dbraw/zinc/35/44/79/506354479.db2.gz DJQWZZGLHHLLRG-CQSZACIVSA-N -1 2 367.389 3.163 20 0 FGADLM O=C([O-])CCCc1ccccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000540999913 503970808 /nfs/dbraw/zinc/97/08/08/503970808.db2.gz NGSUDQSNFKGIKS-UHFFFAOYSA-N -1 2 355.362 3.173 20 0 FGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnoc2-c2ccccc2)c1C ZINC000534344573 504117998 /nfs/dbraw/zinc/11/79/98/504117998.db2.gz XTWDHJKZMQDDOE-UHFFFAOYSA-N -1 2 372.402 3.457 20 0 FGADLM CN(C)c1ccc(NS(=O)(=O)c2c(F)cccc2Cl)c(C(=O)[O-])c1 ZINC000547549229 504146077 /nfs/dbraw/zinc/14/60/77/504146077.db2.gz WBDKPSUSKMKTOA-UHFFFAOYSA-N -1 2 372.805 3.044 20 0 FGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000541807305 504260435 /nfs/dbraw/zinc/26/04/35/504260435.db2.gz KNCTUIJHKCJKSS-UHFFFAOYSA-N -1 2 366.464 3.156 20 0 FGADLM COc1cc(C)c(NS(=O)(=O)c2cc(C)c(C)s2)c(C(=O)[O-])c1 ZINC000547902361 504260620 /nfs/dbraw/zinc/26/06/20/504260620.db2.gz AGLZJKXQWPUCAA-UHFFFAOYSA-N -1 2 355.437 3.181 20 0 FGADLM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cccc3[nH]nnc32)cc1 ZINC000542821316 504624736 /nfs/dbraw/zinc/62/47/36/504624736.db2.gz KFFYXCNXXFIJKH-AWEZNQCLSA-N -1 2 352.438 3.496 20 0 FGADLM CC[C@H](C)c1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000320392748 600051142 /nfs/dbraw/zinc/05/11/42/600051142.db2.gz XTRCSCCRJRAXIO-JTQLQIEISA-N -1 2 354.453 3.085 20 0 FGADLM Cc1cc2sc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)nc2c(C)c1 ZINC000738358887 600052528 /nfs/dbraw/zinc/05/25/28/600052528.db2.gz ZURQIFZMOZYFQK-UHFFFAOYSA-N -1 2 368.461 3.474 20 0 FGADLM Cc1ccc(C)c2sc(NS(=O)(=O)c3csc(C(=O)[O-])c3)nc21 ZINC000832925710 600976609 /nfs/dbraw/zinc/97/66/09/600976609.db2.gz SQURHIQGOIUOLF-UHFFFAOYSA-N -1 2 368.461 3.474 20 0 FGADLM Cc1c2nc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)sc2ccc1F ZINC000832854343 601627984 /nfs/dbraw/zinc/62/79/84/601627984.db2.gz GBTNOTNGLXBIAW-UHFFFAOYSA-N -1 2 372.424 3.304 20 0 FGADLM CSc1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000832785785 601771426 /nfs/dbraw/zinc/77/14/26/601771426.db2.gz PXSDBHLVUBGWCY-UHFFFAOYSA-N -1 2 372.493 3.073 20 0 FGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2C2CCCC2)ccc1Cl ZINC000833306350 601829724 /nfs/dbraw/zinc/82/97/24/601829724.db2.gz VOEOUMOQIQBWOW-UHFFFAOYSA-N -1 2 369.830 3.151 20 0 FGADLM CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833504852 604690291 /nfs/dbraw/zinc/69/02/91/604690291.db2.gz BVJNLSUGUKDHFH-UHFFFAOYSA-N -1 2 370.814 3.021 20 0 FGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000833741278 605126557 /nfs/dbraw/zinc/12/65/57/605126557.db2.gz FSZZPBVDTRRKQS-UHFFFAOYSA-N -1 2 355.437 3.343 20 0 FGADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1C(C)C ZINC000833493383 605151284 /nfs/dbraw/zinc/15/12/84/605151284.db2.gz KHPVPNNAPOQQTO-UHFFFAOYSA-N -1 2 371.484 3.223 20 0 FGADLM COc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753768358 722912080 /nfs/dbraw/zinc/91/20/80/722912080.db2.gz FKHLPHZPHMZYFV-UHFFFAOYSA-N -1 2 369.826 3.464 20 0 FGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3ccncc32)c1F ZINC000755978952 722959252 /nfs/dbraw/zinc/95/92/52/722959252.db2.gz HBVCXLJQFPXKHX-UHFFFAOYSA-N -1 2 360.366 3.181 20 0 FGADLM CCOc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)ccc1C ZINC000756938044 722972154 /nfs/dbraw/zinc/97/21/54/722972154.db2.gz CQCAWRMAKIXMAQ-UHFFFAOYSA-N -1 2 371.361 3.171 20 0 FGADLM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000821192859 729067288 /nfs/dbraw/zinc/06/72/88/729067288.db2.gz YDFRVSUIDQGYOU-LLVKDONJSA-N -1 2 370.254 3.173 20 0 FGADLM C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1csc(C(F)(F)F)c1 ZINC000926812819 759826651 /nfs/dbraw/zinc/82/66/51/759826651.db2.gz LXXPYIGOEQDSIQ-MRVPVSSYSA-N -1 2 359.373 3.186 20 0 FGADLM Cc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)s1 ZINC000088545726 494247471 /nfs/dbraw/zinc/24/74/71/494247471.db2.gz OCHKTHORNHKTOU-UHFFFAOYSA-N -1 2 366.464 3.138 20 0 FGADLM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000181768995 496537156 /nfs/dbraw/zinc/53/71/56/496537156.db2.gz IYQGZOLUOAGTRB-VIFPVBQESA-N -1 2 373.352 3.483 20 0 FGADLM COc1cccc([C@@H](NC(=O)c2cc(O)ccc2Cl)c2[nH+]ccn2C)c1 ZINC000368067642 499260872 /nfs/dbraw/zinc/26/08/72/499260872.db2.gz ZMNFGWZCFVGMNT-QGZVFWFLSA-N -1 2 371.824 3.307 20 0 FGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410364205 499657655 /nfs/dbraw/zinc/65/76/55/499657655.db2.gz YNIQXUNKLFAOSU-UHFFFAOYSA-N -1 2 374.187 3.087 20 0 FGADLM CCOc1cc(C[N@H+](CC(=O)OC)[C@H](C)CC)cc(Br)c1O ZINC000459517897 501668362 /nfs/dbraw/zinc/66/83/62/501668362.db2.gz AYXWVKMFKFERQA-LLVKDONJSA-N -1 2 374.275 3.327 20 0 FGADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1F ZINC000461339229 502075408 /nfs/dbraw/zinc/07/54/08/502075408.db2.gz DIQSZDGPLIGJAR-UHFFFAOYSA-N -1 2 369.317 3.405 20 0 FGADLM COc1cc(C)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1F ZINC000479547596 502293302 /nfs/dbraw/zinc/29/33/02/502293302.db2.gz 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CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000480242094 502511460 /nfs/dbraw/zinc/51/14/60/502511460.db2.gz PPYUYGVMMLURBK-SECBINFHSA-N -1 2 357.457 3.031 20 0 FGADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C)sc1C ZINC000484986973 502793494 /nfs/dbraw/zinc/79/34/94/502793494.db2.gz LTAXFWBTEKPHEY-UHFFFAOYSA-N -1 2 373.427 3.402 20 0 FGADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000484993123 502794152 /nfs/dbraw/zinc/79/41/52/502794152.db2.gz FVSAPWNKMMDEEP-UHFFFAOYSA-N -1 2 371.361 3.253 20 0 FGADLM CCc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c(C(=O)[O-])c1 ZINC000496068323 502871850 /nfs/dbraw/zinc/87/18/50/502871850.db2.gz FZKFBQQQWHACRU-UHFFFAOYSA-N -1 2 359.325 3.165 20 0 FGADLM CCCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000515649438 503379001 /nfs/dbraw/zinc/37/90/01/503379001.db2.gz NUGGPTYPXGWPCY-UHFFFAOYSA-N -1 2 355.437 3.426 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)c(C)c1C(=O)[O-] ZINC000512790274 503632247 /nfs/dbraw/zinc/63/22/47/503632247.db2.gz JSZQFEDPQMCBBD-UHFFFAOYSA-N -1 2 371.418 3.193 20 0 FGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C)cc1F ZINC000517158209 503657304 /nfs/dbraw/zinc/65/73/04/503657304.db2.gz IDEXENWVGZMFRU-UHFFFAOYSA-N -1 2 373.789 3.295 20 0 FGADLM CSCc1ccccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000546782737 503877179 /nfs/dbraw/zinc/87/71/79/503877179.db2.gz LHZZCJWBOUZHTO-UHFFFAOYSA-N -1 2 357.478 3.419 20 0 FGADLM Cc1c(O)ccc2c(C[N@@H+]3CCc4nc(C5CC5)ncc4C3)cc(=O)oc12 ZINC000528737216 504356792 /nfs/dbraw/zinc/35/67/92/504356792.db2.gz PDKCENOVMZHWFN-UHFFFAOYSA-N -1 2 363.417 3.033 20 0 FGADLM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000562710611 504917947 /nfs/dbraw/zinc/91/79/47/504917947.db2.gz DLAQHSQUMQRMIG-BFYDXBDKSA-N -1 2 369.490 3.275 20 0 FGADLM CCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1C1CC1 ZINC000560254446 505030529 /nfs/dbraw/zinc/03/05/29/505030529.db2.gz ONKSUHINOMMODM-UHFFFAOYSA-N -1 2 369.468 3.039 20 0 FGADLM Cc1cn2cc(NS(=O)(=O)c3ccccc3Br)ccc2[nH+]1 ZINC000606753498 507498643 /nfs/dbraw/zinc/49/86/43/507498643.db2.gz YJBDIANWIVVJJL-UHFFFAOYSA-N -1 2 366.240 3.206 20 0 FGADLM O=C([O-])c1sccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000740290974 599925317 /nfs/dbraw/zinc/92/53/17/599925317.db2.gz XJDOGZBIWJTCFS-UHFFFAOYSA-N -1 2 369.317 3.405 20 0 FGADLM O=C([O-])CSCc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000739873551 599927923 /nfs/dbraw/zinc/92/79/23/599927923.db2.gz FKZRYQYXCRODLB-UHFFFAOYSA-N -1 2 373.402 3.083 20 0 FGADLM Cc1nc(NS(=O)(=O)c2c(Cl)cccc2Cl)sc1C(=O)[O-] ZINC000738364967 600054553 /nfs/dbraw/zinc/05/45/53/600054553.db2.gz YZQGFCBWLCDYPP-UHFFFAOYSA-N -1 2 367.235 3.257 20 0 FGADLM CCc1ccc(S(=O)(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000737267876 600488729 /nfs/dbraw/zinc/48/87/29/600488729.db2.gz MUMGJAZPMLWPME-UHFFFAOYSA-N -1 2 369.464 3.355 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cc1C(=O)[O-] ZINC000320572834 600827098 /nfs/dbraw/zinc/82/70/98/600827098.db2.gz UELUEEGJSPRLRG-UHFFFAOYSA-N -1 2 354.453 3.248 20 0 FGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(Br)c2)s1 ZINC000035426868 601357452 /nfs/dbraw/zinc/35/74/52/601357452.db2.gz QSEMUPUXFASLQZ-UHFFFAOYSA-N -1 2 362.226 3.010 20 0 FGADLM CCCCCc1nnc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])s1 ZINC000829373370 601502355 /nfs/dbraw/zinc/50/23/55/601502355.db2.gz UAVSUDJPNYWBAN-UHFFFAOYSA-N -1 2 369.468 3.078 20 0 FGADLM O=C([O-])C[C@H](NC(=O)c1c(O)cc(F)cc1F)c1ccc(Cl)cc1 ZINC000833264558 601760485 /nfs/dbraw/zinc/76/04/85/601760485.db2.gz ACSULWDOXOQKQA-LBPRGKRZSA-N -1 2 355.724 3.270 20 0 FGADLM CCCn1ccc2cc(NS(=O)(=O)c3csnc3C(=O)[O-])ccc21 ZINC000829585094 601769253 /nfs/dbraw/zinc/76/92/53/601769253.db2.gz HDGJKBWPUXKOGY-UHFFFAOYSA-N -1 2 365.436 3.007 20 0 FGADLM COc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000739907855 602729728 /nfs/dbraw/zinc/72/97/28/602729728.db2.gz RUGKLOBKRIENJM-UHFFFAOYSA-N -1 2 356.787 3.239 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2cccc(SCCC(=O)[O-])c2)s1 ZINC000833751454 604539116 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CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000754258967 722932799 /nfs/dbraw/zinc/93/27/99/722932799.db2.gz OETZPYRNRLESOE-UHFFFAOYSA-N -1 2 370.814 3.021 20 0 FGADLM CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000749144313 722717785 /nfs/dbraw/zinc/71/77/85/722717785.db2.gz WLIDZEBRRSCOEO-LLVKDONJSA-N -1 2 367.398 3.341 20 0 FGADLM CCc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000754758806 722945386 /nfs/dbraw/zinc/94/53/86/722945386.db2.gz CYMHGPBEVHGIKF-UHFFFAOYSA-N -1 2 358.803 3.006 20 0 FGADLM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000760486992 723058921 /nfs/dbraw/zinc/05/89/21/723058921.db2.gz QZIWGEVKKOGFHW-UHFFFAOYSA-N -1 2 359.131 3.095 20 0 FGADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1)C(=O)[O-] ZINC000766371311 723570407 /nfs/dbraw/zinc/57/04/07/723570407.db2.gz VDUXXZUVISLYAJ-GFCCVEGCSA-N -1 2 368.842 3.189 20 0 FGADLM CC(C)Oc1c(NS(=O)(=O)c2ccc(Cl)nc2)cccc1C(=O)[O-] ZINC000799125133 723989511 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C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000181772853 496538695 /nfs/dbraw/zinc/53/86/95/496538695.db2.gz VDPHMVVSIADBBH-SNVBAGLBSA-N -1 2 355.362 3.344 20 0 FGADLM C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)[C@@H]1c1ccccc1 ZINC000178948683 496626034 /nfs/dbraw/zinc/62/60/34/496626034.db2.gz MQLGHHFFHHUMCE-DOMZBBRYSA-N -1 2 356.900 3.125 20 0 FGADLM CO[C@](C)(C(=O)Nc1nc(-c2ccccc2F)n[nH]1)c1ccccc1F ZINC000192345289 497081313 /nfs/dbraw/zinc/08/13/13/497081313.db2.gz KMUULRAOXIZENT-SFHVURJKSA-N -1 2 358.348 3.250 20 0 FGADLM C[N@H+]1CC[C@@H](CNC(=O)c2ncccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245734005 497520453 /nfs/dbraw/zinc/52/04/53/497520453.db2.gz UJMDEFDITIMLPT-YVEFUNNKSA-N -1 2 363.820 3.003 20 0 FGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(O)c1 ZINC000314797857 498779392 /nfs/dbraw/zinc/77/93/92/498779392.db2.gz CSVGCWIMIADQIR-UHFFFAOYSA-N -1 2 362.190 3.198 20 0 FGADLM CC(C)Oc1ncccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000326985148 498849925 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FGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c(C)cccc1F ZINC000479513444 502280830 /nfs/dbraw/zinc/28/08/30/502280830.db2.gz ITUHVGBQRXFVFD-UHFFFAOYSA-N -1 2 355.412 3.355 20 0 FGADLM CCc1nc(C)c(NS(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)s1 ZINC000488988284 502855375 /nfs/dbraw/zinc/85/53/75/502855375.db2.gz VWLNXOMVSFBPDB-UHFFFAOYSA-N -1 2 354.453 3.075 20 0 FGADLM CO[C@@H](C)c1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000588833839 506351177 /nfs/dbraw/zinc/35/11/77/506351177.db2.gz SVNQQWNTAMQQAE-JTQLQIEISA-N -1 2 355.437 3.263 20 0 FGADLM O=C1C[C@H]([NH2+]Cc2c(F)ccc(O)c2F)CN1c1ccccc1Cl ZINC000510968612 503227152 /nfs/dbraw/zinc/22/71/52/503227152.db2.gz NUHUVYNNLOTZTP-JTQLQIEISA-N -1 2 352.768 3.219 20 0 FGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnoc1-c1ccccc1 ZINC000511341137 503302879 /nfs/dbraw/zinc/30/28/79/503302879.db2.gz CZAYEAOZEHVUIS-UHFFFAOYSA-N -1 2 358.375 3.149 20 0 FGADLM CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512742338 503623683 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FGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc2cccnc21 ZINC000604691760 506910030 /nfs/dbraw/zinc/91/00/30/506910030.db2.gz PFKVMFJBTBVGJE-UHFFFAOYSA-N -1 2 374.443 3.456 20 0 FGADLM Cc1cccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)c1C(=O)[O-] ZINC000738746739 600054341 /nfs/dbraw/zinc/05/43/41/600054341.db2.gz KMEIIDMHGNERRC-UHFFFAOYSA-N -1 2 354.453 3.248 20 0 FGADLM Cc1ccc(S(=O)(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000738654495 600489235 /nfs/dbraw/zinc/48/92/35/600489235.db2.gz AWQODJPTXVQSTM-UHFFFAOYSA-N -1 2 355.437 3.101 20 0 FGADLM CCc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000751215354 600983646 /nfs/dbraw/zinc/98/36/46/600983646.db2.gz ZVXVCJGICRQAQN-UHFFFAOYSA-N -1 2 355.799 3.107 20 0 FGADLM Cc1ccc2nc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)sc2c1 ZINC000391719186 601358324 /nfs/dbraw/zinc/35/83/24/601358324.db2.gz BQNKBXXUUZLNTR-UHFFFAOYSA-N -1 2 366.395 3.243 20 0 FGADLM CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000828870843 601501792 /nfs/dbraw/zinc/50/17/92/601501792.db2.gz XIHVNSFLQUJPAP-UHFFFAOYSA-N -1 2 369.468 3.249 20 0 FGADLM CCC(CC)c1nnc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])s1 ZINC000828870588 601501935 /nfs/dbraw/zinc/50/19/35/601501935.db2.gz RRRXQNQQHYVHOS-UHFFFAOYSA-N -1 2 373.431 3.080 20 0 FGADLM Cc1ccc(/C=C\S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000832930436 601771375 /nfs/dbraw/zinc/77/13/75/601771375.db2.gz XCXWQUHAMAYGEQ-KTKRTIGZSA-N -1 2 366.464 3.271 20 0 FGADLM CC(C)CCc1ccccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000826861233 601838725 /nfs/dbraw/zinc/83/87/25/601838725.db2.gz ROPAWROIMHHBBN-UHFFFAOYSA-N -1 2 354.453 3.231 20 0 FGADLM CCCOc1cc(F)ccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000829528433 601855732 /nfs/dbraw/zinc/85/57/32/601855732.db2.gz YHJDQDUVJJEGHR-UHFFFAOYSA-N -1 2 359.400 3.175 20 0 FGADLM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1ccc(F)cc1O ZINC000833347596 602202492 /nfs/dbraw/zinc/20/24/92/602202492.db2.gz NCCHUDBYXSCNQP-UHFFFAOYSA-N -1 2 367.379 3.245 20 0 FGADLM CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000830049662 602309414 /nfs/dbraw/zinc/30/94/14/602309414.db2.gz MGJLSDPUJBBQQG-UHFFFAOYSA-N -1 2 361.828 3.299 20 0 FGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000740129921 602646441 /nfs/dbraw/zinc/64/64/41/602646441.db2.gz ONCXCMVGXMCMDO-UHFFFAOYSA-N -1 2 364.398 3.366 20 0 FGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000832934202 604807453 /nfs/dbraw/zinc/80/74/53/604807453.db2.gz JXCKFGYGXNJTIG-UHFFFAOYSA-N -1 2 373.789 3.052 20 0 FGADLM O=C([O-])N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC000832375794 605763723 /nfs/dbraw/zinc/76/37/23/605763723.db2.gz MIJWQMNNAMMCQR-CYBMUJFWSA-N -1 2 360.797 3.195 20 0 FGADLM CCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000042795650 695785443 /nfs/dbraw/zinc/78/54/43/695785443.db2.gz SSVAOUWRYJBFMR-UHFFFAOYSA-N -1 2 373.789 3.377 20 0 FGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc3scnc3c2)cc1C(=O)[O-] ZINC000178955508 705682706 /nfs/dbraw/zinc/68/27/06/705682706.db2.gz FOQRFLZICDSIEQ-UHFFFAOYSA-N -1 2 366.395 3.243 20 0 FGADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)ccc1F ZINC000195441045 713556448 /nfs/dbraw/zinc/55/64/48/713556448.db2.gz XLMNHPDZQRDPLK-UHFFFAOYSA-N -1 2 365.169 3.027 20 0 FGADLM CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000756938686 722972114 /nfs/dbraw/zinc/97/21/14/722972114.db2.gz KPGTUOLGLLQZEC-SECBINFHSA-N -1 2 371.361 3.171 20 0 FGADLM CSCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000758954317 722997291 /nfs/dbraw/zinc/99/72/91/722997291.db2.gz VSSLHPMJQABCAZ-UHFFFAOYSA-N -1 2 369.439 3.496 20 0 FGADLM CCC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)c1nn[n-]n1 ZINC000843817021 730657063 /nfs/dbraw/zinc/65/70/63/730657063.db2.gz LWRWTAOJZAKMMO-VIFPVBQESA-N -1 2 364.183 3.256 20 0 FGADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncsc1C1CC1 ZINC000882771192 737488933 /nfs/dbraw/zinc/48/89/33/737488933.db2.gz RRDDMNFTXIACAI-UHFFFAOYSA-N -1 2 352.437 3.082 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2ncsc2C2CC2)cc(C(=O)[O-])c1Cl ZINC000882772279 737489433 /nfs/dbraw/zinc/48/94/33/737489433.db2.gz OZNOAYBPJYTHKX-UHFFFAOYSA-N -1 2 372.855 3.481 20 0 FGADLM CO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)C12CCC2 ZINC000570915794 505610582 /nfs/dbraw/zinc/61/05/82/505610582.db2.gz MNGXGGGTAADTKP-HUUCEWRRSA-N -1 2 353.422 3.471 20 0 FGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2)c(F)c1 ZINC000097986957 495046349 /nfs/dbraw/zinc/04/63/49/495046349.db2.gz FJSAVPUGBDCRBZ-UHFFFAOYSA-N -1 2 374.187 3.087 20 0 FGADLM CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1(C)C ZINC000120725967 495444256 /nfs/dbraw/zinc/44/42/56/495444256.db2.gz AJPBIQGPGITROK-GJZGRUSLSA-N -1 2 355.438 3.305 20 0 FGADLM CC[C@@H]1C[N@H+](Cc2cc(O)ccc2Br)CCN1CC(F)F ZINC000575031239 505907579 /nfs/dbraw/zinc/90/75/79/505907579.db2.gz QRYHVIWYEZPWPP-GFCCVEGCSA-N -1 2 363.246 3.316 20 0 FGADLM Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)s1 ZINC000292286221 497955882 /nfs/dbraw/zinc/95/58/82/497955882.db2.gz IWMLODKAPQSBPG-UHFFFAOYSA-N -1 2 367.448 3.213 20 0 FGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000325734105 498838576 /nfs/dbraw/zinc/83/85/76/498838576.db2.gz WTKMAXGODHWDCE-UHFFFAOYSA-N -1 2 363.288 3.344 20 0 FGADLM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000421152622 499973560 /nfs/dbraw/zinc/97/35/60/499973560.db2.gz KXTGKVLQSDBXCP-ZDUSSCGKSA-N -1 2 373.833 3.184 20 0 FGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000443522358 500734161 /nfs/dbraw/zinc/73/41/61/500734161.db2.gz PTFOJFNAUGMIMW-UHFFFAOYSA-N -1 2 353.396 3.090 20 0 FGADLM C[C@H]1C[C@H](NC(=O)c2cc(Br)cc(Cl)c2O)C[N@@H+]1C1CC1 ZINC000441786542 501171470 /nfs/dbraw/zinc/17/14/70/501171470.db2.gz JUMMSNDQSHMMAU-WPRPVWTQSA-N -1 2 373.678 3.163 20 0 FGADLM CCOc1cc(C[NH2+][C@@H](C)c2nnnn2-c2ccccc2)cc(Cl)c1O ZINC000459410827 501649122 /nfs/dbraw/zinc/64/91/22/501649122.db2.gz LDVGEFSOFLFUHH-LBPRGKRZSA-N -1 2 373.844 3.271 20 0 FGADLM CC(C)(C)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1O ZINC000479546209 502292196 /nfs/dbraw/zinc/29/21/96/502292196.db2.gz VVDFJVNYOWRVBJ-UHFFFAOYSA-N -1 2 367.398 3.328 20 0 FGADLM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)s1 ZINC000484481028 502650488 /nfs/dbraw/zinc/65/04/88/502650488.db2.gz SPXMFWRNEZZZDM-UHFFFAOYSA-N -1 2 355.437 3.250 20 0 FGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3ccc(O)cc32)c(F)c1 ZINC000484543105 502665135 /nfs/dbraw/zinc/66/51/35/502665135.db2.gz ONLDSOMHOTXFFF-UHFFFAOYSA-N -1 2 361.350 3.184 20 0 FGADLM Cc1cc(S(=O)(=O)Nc2cc(C)cc3cccnc32)sc1C(=O)[O-] ZINC000507003256 503210092 /nfs/dbraw/zinc/21/00/92/503210092.db2.gz VCEXNLVQWQPHKY-UHFFFAOYSA-N -1 2 362.432 3.412 20 0 FGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000546728571 503855069 /nfs/dbraw/zinc/85/50/69/503855069.db2.gz DOPLROIMQCXGMH-UHFFFAOYSA-N -1 2 365.791 3.054 20 0 FGADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(F)c(C)cc1C(=O)[O-] ZINC000547611169 504155963 /nfs/dbraw/zinc/15/59/63/504155963.db2.gz GKZKVVJXXZVING-UHFFFAOYSA-N -1 2 369.418 3.027 20 0 FGADLM C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000556086122 504793129 /nfs/dbraw/zinc/79/31/29/504793129.db2.gz ABGXDKAGHVFJIE-HIFRSBDPSA-N -1 2 366.421 3.135 20 0 FGADLM CSCc1cccnc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000564484883 505430929 /nfs/dbraw/zinc/43/09/29/505430929.db2.gz YEIMTAFYPMINSB-UHFFFAOYSA-N -1 2 361.377 3.260 20 0 FGADLM CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1 ZINC000583708142 506926545 /nfs/dbraw/zinc/92/65/45/506926545.db2.gz HSUFWRQPXJAKCW-UHFFFAOYSA-N -1 2 369.826 3.497 20 0 FGADLM CCc1ccc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)s1 ZINC000737267919 600299743 /nfs/dbraw/zinc/29/97/43/600299743.db2.gz NOXISCNCHRJXIR-UHFFFAOYSA-N -1 2 354.453 3.221 20 0 FGADLM CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000829373318 601201863 /nfs/dbraw/zinc/20/18/63/601201863.db2.gz QSTWXGKYLVHTSG-UHFFFAOYSA-N -1 2 369.418 3.020 20 0 FGADLM O=C([O-])COc1cccc(NC(=O)c2c(O)cc(Cl)cc2Cl)c1 ZINC000833261226 601210382 /nfs/dbraw/zinc/21/03/82/601210382.db2.gz MOECLOHWCRXZHY-UHFFFAOYSA-N -1 2 356.161 3.415 20 0 FGADLM CC(C)CCc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000826860760 601602525 /nfs/dbraw/zinc/60/25/25/601602525.db2.gz GDZQGPWGPYZRGN-UHFFFAOYSA-N -1 2 354.453 3.231 20 0 FGADLM Cc1c2nc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)sc2ccc1F ZINC000832854312 601627973 /nfs/dbraw/zinc/62/79/73/601627973.db2.gz DWICAIFKZCSOAB-UHFFFAOYSA-N -1 2 366.395 3.243 20 0 FGADLM CC(C)c1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000325228837 601772173 /nfs/dbraw/zinc/77/21/73/601772173.db2.gz SZRVFWLOPUDCLV-UHFFFAOYSA-N -1 2 368.480 3.475 20 0 FGADLM CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)[nH]n1 ZINC000829216397 602102561 /nfs/dbraw/zinc/10/25/61/602102561.db2.gz MILNSTTZJXIRNB-JTQLQIEISA-N -1 2 351.428 3.121 20 0 FGADLM O=C([O-])Cc1cccc(NC(=O)c2cccc(Br)c2O)c1 ZINC000738625394 602143339 /nfs/dbraw/zinc/14/33/39/602143339.db2.gz KOFPBAPOAQPGTK-UHFFFAOYSA-N -1 2 350.168 3.034 20 0 FGADLM COc1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000739863588 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CCc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1 ZINC000753780446 722912968 /nfs/dbraw/zinc/91/29/68/722912968.db2.gz RCOODJAWPOMMRY-UHFFFAOYSA-N -1 2 369.826 3.415 20 0 FGADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000790417476 723138104 /nfs/dbraw/zinc/13/81/04/723138104.db2.gz KKZNUITWPXLPLF-VIFPVBQESA-N -1 2 371.846 3.315 20 0 FGADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816836269 727199645 /nfs/dbraw/zinc/19/96/45/727199645.db2.gz KZQNDXYQUZNSCQ-UHFFFAOYSA-N -1 2 372.431 3.099 20 0 FGADLM C[C@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000825449003 729383884 /nfs/dbraw/zinc/38/38/84/729383884.db2.gz JHSMDDPHEPGRIV-VIFPVBQESA-N -1 2 356.350 3.094 20 0 FGADLM CCOc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc(Cl)c1O ZINC000186660975 496096891 /nfs/dbraw/zinc/09/68/91/496096891.db2.gz AKJFZBDWHKKRKT-LLVKDONJSA-N -1 2 351.834 3.015 20 0 FGADLM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000181770803 496537829 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