smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OCC ZINC000013300839 695609553 /nfs/dbraw/zinc/60/95/53/695609553.db2.gz KBTNCVHRXCVYMM-UHFFFAOYSA-N -2 0 371.436 3.045 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccccc2Br)cc(C(=O)[O-])c1 ZINC000507585751 714120183 /nfs/dbraw/zinc/12/01/83/714120183.db2.gz ULSULTSXIFQVAD-UHFFFAOYSA-N -2 0 370.224 3.257 20 0 FGADRL CC(C)c1nc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c[nH]1 ZINC000673884752 721675872 /nfs/dbraw/zinc/67/58/72/721675872.db2.gz YULMMAWDRGHJBE-UHFFFAOYSA-N -2 0 351.428 3.156 20 0 FGADRL COc1ccc2c(c1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1)CCC2 ZINC000682875102 722269550 /nfs/dbraw/zinc/26/95/50/722269550.db2.gz ZRGDVKCKPBWOFJ-UHFFFAOYSA-N -2 0 367.448 3.053 20 0 FGADRL Cc1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c1O ZINC000759101903 722999504 /nfs/dbraw/zinc/99/95/04/722999504.db2.gz KHQHIYKIRAPYHU-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1C(=O)[O-] ZINC000794865272 723549567 /nfs/dbraw/zinc/54/95/67/723549567.db2.gz WRWADBWVMUUPBP-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000769892351 723699418 /nfs/dbraw/zinc/69/94/18/723699418.db2.gz GTFNTFHAHLRSQL-UHFFFAOYSA-N -2 0 373.402 3.494 20 0 FGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1F ZINC000800837008 724234430 /nfs/dbraw/zinc/23/44/30/724234430.db2.gz JIIIKFWVXBWVNA-UHFFFAOYSA-N -2 0 364.329 3.012 20 0 FGADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000825448886 729383835 /nfs/dbraw/zinc/38/38/35/729383835.db2.gz HMOUEHLNVDREES-SECBINFHSA-N -2 0 356.350 3.094 20 0 FGADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1C ZINC000863427660 732961999 /nfs/dbraw/zinc/96/19/99/732961999.db2.gz GJRNDAQJHDCIOZ-UHFFFAOYSA-N -2 0 353.396 3.184 20 0 FGADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000047202403 206080650 /nfs/dbraw/zinc/08/06/50/206080650.db2.gz SYHPBLDXUNAVSQ-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL COCCc1cccc(-c2cccc(-n3[n-]c(C)c(CC(=O)[O-])c3=O)c2)c1 ZINC000577077432 505659542 /nfs/dbraw/zinc/65/95/42/505659542.db2.gz KFSBOYOLXXETEM-IBGZPJMESA-N -2 0 366.417 3.356 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)cs1 ZINC000580143486 505687109 /nfs/dbraw/zinc/68/71/09/505687109.db2.gz FRKQBMUDSBSJMW-UHFFFAOYSA-N -2 0 371.411 3.175 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000084461016 494074984 /nfs/dbraw/zinc/07/49/84/494074984.db2.gz PYHZRJKRXYOXEX-UHFFFAOYSA-N -2 0 362.432 3.358 20 0 FGADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000066586218 494360816 /nfs/dbraw/zinc/36/08/16/494360816.db2.gz XRXJUKHBGOMCQG-UHFFFAOYSA-N -2 0 359.400 3.173 20 0 FGADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cn(C)nc1C(C)C ZINC000280974063 497972254 /nfs/dbraw/zinc/97/22/54/497972254.db2.gz LMNSTPDVNDLGPO-UHFFFAOYSA-N -2 0 371.846 3.004 20 0 FGADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1C1CCCC1 ZINC000285260697 498037011 /nfs/dbraw/zinc/03/70/11/498037011.db2.gz XJLHBIWPWSTIKS-UHFFFAOYSA-N -2 0 363.439 3.114 20 0 FGADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000324243307 498826012 /nfs/dbraw/zinc/82/60/12/498826012.db2.gz GMHDBKDNRNZICW-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)sc1C(=O)[O-] ZINC000324365754 498827726 /nfs/dbraw/zinc/82/77/26/498827726.db2.gz JHXPKJSTSBRXCV-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL COc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000326826175 498848103 /nfs/dbraw/zinc/84/81/03/498848103.db2.gz JPFRIGNUXVFPCJ-UHFFFAOYSA-N -2 0 363.435 3.048 20 0 FGADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2)o1 ZINC000377625511 499712321 /nfs/dbraw/zinc/71/23/21/499712321.db2.gz NBDXBEYYKNHTJX-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433489374 500704054 /nfs/dbraw/zinc/70/40/54/500704054.db2.gz CUHOBEKSYFIBRA-NSHDSACASA-N -2 0 365.407 3.069 20 0 FGADRL CCc1cccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])c1 ZINC000433497751 500704882 /nfs/dbraw/zinc/70/48/82/500704882.db2.gz RIQFDBKMODOQHB-UHFFFAOYSA-N -2 0 369.826 3.410 20 0 FGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000592711947 506217606 /nfs/dbraw/zinc/21/76/06/506217606.db2.gz ZXAZDJGBNJZTFP-UHFFFAOYSA-N -2 0 371.436 3.043 20 0 FGADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451045194 501241520 /nfs/dbraw/zinc/24/15/20/501241520.db2.gz LMBUZOSNKBFEFW-UHFFFAOYSA-N -2 0 363.361 3.069 20 0 FGADRL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485246967 501768384 /nfs/dbraw/zinc/76/83/84/501768384.db2.gz CMNROGJEDAVKRW-UHFFFAOYSA-N -2 0 372.805 3.044 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(Cl)cc1F ZINC000471134208 501931294 /nfs/dbraw/zinc/93/12/94/501931294.db2.gz QZQMEINEYSEUSF-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)cc1C(=O)[O-] ZINC000485881175 501973729 /nfs/dbraw/zinc/97/37/29/501973729.db2.gz HCAJGBMGEVAGMP-UHFFFAOYSA-N -2 0 371.418 3.193 20 0 FGADRL CCc1ccccc1S(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC ZINC000479186629 502187471 /nfs/dbraw/zinc/18/74/71/502187471.db2.gz ISNBUHQGGQEHHO-UHFFFAOYSA-N -2 0 363.435 3.076 20 0 FGADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479245657 502203694 /nfs/dbraw/zinc/20/36/94/502203694.db2.gz MWOXUJIRMJJERZ-UHFFFAOYSA-N -2 0 358.803 3.006 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(C)c1O ZINC000462104346 502308570 /nfs/dbraw/zinc/30/85/70/502308570.db2.gz QAPHROSMCFTVKZ-UHFFFAOYSA-N -2 0 369.826 3.415 20 0 FGADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000476411350 502482437 /nfs/dbraw/zinc/48/24/37/502482437.db2.gz OOMDHKBVTPHUBE-UHFFFAOYSA-N -2 0 359.325 3.220 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000484233427 502604030 /nfs/dbraw/zinc/60/40/30/502604030.db2.gz MMXLNRMRSVLNMT-UHFFFAOYSA-N -2 0 357.359 3.013 20 0 FGADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000477342456 502748908 /nfs/dbraw/zinc/74/89/08/502748908.db2.gz REPFIDWNHPPGRN-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)s1 ZINC000489002767 502858394 /nfs/dbraw/zinc/85/83/94/502858394.db2.gz BERVXEPYJZYFJS-UHFFFAOYSA-N -2 0 354.453 3.130 20 0 FGADRL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489581636 502991595 /nfs/dbraw/zinc/99/15/95/502991595.db2.gz KENWTPZTYPDFFV-UHFFFAOYSA-N -2 0 355.799 3.107 20 0 FGADRL CC(C)OCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000511112305 503258778 /nfs/dbraw/zinc/25/87/78/503258778.db2.gz YUCBEEYQNZJIPL-UHFFFAOYSA-N -2 0 355.437 3.172 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)sc1C(=O)[O-] ZINC000511686290 503370462 /nfs/dbraw/zinc/37/04/62/503370462.db2.gz GHUXZRIZGKUFTA-UHFFFAOYSA-N -2 0 369.464 3.481 20 0 FGADRL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000508231686 503458657 /nfs/dbraw/zinc/45/86/57/503458657.db2.gz IZSLHPBWTKWKPD-UHFFFAOYSA-N -2 0 358.416 3.207 20 0 FGADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512766381 503628313 /nfs/dbraw/zinc/62/83/13/503628313.db2.gz IVAHIOSZOHNNHP-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000537197579 503838481 /nfs/dbraw/zinc/83/84/81/503838481.db2.gz PFIJQDOYPVFYSI-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000547550632 504146336 /nfs/dbraw/zinc/14/63/36/504146336.db2.gz WRSIVUNZCQLGIU-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1)C(=O)[O-] ZINC000544641597 504201898 /nfs/dbraw/zinc/20/18/98/504201898.db2.gz LBEMDOVRQQVQNN-LBPRGKRZSA-N -2 0 359.403 3.497 20 0 FGADRL Cc1ccc(F)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1C(=O)[O-] ZINC000545206087 504396204 /nfs/dbraw/zinc/39/62/04/504396204.db2.gz PFDFOCJDZDSZIO-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2scnc2C2CC2)c1C ZINC000536492374 504747810 /nfs/dbraw/zinc/74/78/10/504747810.db2.gz PVYGMSCSWLVSIP-UHFFFAOYSA-N -2 0 352.437 3.136 20 0 FGADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000591683588 507331830 /nfs/dbraw/zinc/33/18/30/507331830.db2.gz NCNBWIIICQCDCZ-UHFFFAOYSA-N -2 0 360.844 3.279 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)o1 ZINC000740306580 599740385 /nfs/dbraw/zinc/74/03/85/599740385.db2.gz DNVULLGERRGFRM-UHFFFAOYSA-N -2 0 371.370 3.010 20 0 FGADRL C[C@](CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000736541574 599981910 /nfs/dbraw/zinc/98/19/10/599981910.db2.gz MAKRPPLHNMTLCC-LAUBAEHRSA-N -2 0 369.417 3.141 20 0 FGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736748749 599989008 /nfs/dbraw/zinc/98/90/08/599989008.db2.gz ZGWUHMBCTRPXSY-GOSISDBHSA-N -2 0 374.437 3.490 20 0 FGADRL Cc1oc(CN(C)C(=O)c2cccc(Br)c2[O-])cc1C(=O)[O-] ZINC000738967502 600005409 /nfs/dbraw/zinc/00/54/09/600005409.db2.gz VPLCJMYFKOBCRY-UHFFFAOYSA-N -2 0 368.183 3.027 20 0 FGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)sc2C1 ZINC000736937369 600055719 /nfs/dbraw/zinc/05/57/19/600055719.db2.gz FOIFVZRGNGWGKD-QMMMGPOBSA-N -2 0 372.493 3.219 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)c(F)cc1F ZINC000740089903 600235804 /nfs/dbraw/zinc/23/58/04/600235804.db2.gz MZQDYVIVEZLMPM-UHFFFAOYSA-N -2 0 370.358 3.074 20 0 FGADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c1 ZINC000738802558 600302533 /nfs/dbraw/zinc/30/25/33/600302533.db2.gz LFYJRSKRHOGBRI-UHFFFAOYSA-N -2 0 371.418 3.112 20 0 FGADRL CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736905509 600459530 /nfs/dbraw/zinc/45/95/30/600459530.db2.gz STFLSLQSZDCQSP-LBPRGKRZSA-N -2 0 373.496 3.248 20 0 FGADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000826113283 600669174 /nfs/dbraw/zinc/66/91/74/600669174.db2.gz GYCGKRPQRJGVCY-MRXNPFEDSA-N -2 0 355.390 3.246 20 0 FGADRL C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)[O-] ZINC000827455194 600837143 /nfs/dbraw/zinc/83/71/43/600837143.db2.gz LHCOLSCOYRVAOS-LBPRGKRZSA-N -2 0 370.430 3.480 20 0 FGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000831945908 601150404 /nfs/dbraw/zinc/15/04/04/601150404.db2.gz LZPACJPTBQKOIW-UHFFFAOYSA-N -2 0 365.791 3.048 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000832899864 601224424 /nfs/dbraw/zinc/22/44/24/601224424.db2.gz SRARHCWBFAULJR-UHFFFAOYSA-N -2 0 364.423 3.051 20 0 FGADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829421540 601232577 /nfs/dbraw/zinc/23/25/77/601232577.db2.gz GUWQMSJBTOLYAJ-UHFFFAOYSA-N -2 0 353.396 3.266 20 0 FGADRL CCCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000829422126 601232579 /nfs/dbraw/zinc/23/25/79/601232579.db2.gz PLUHKFHYMYEARD-UHFFFAOYSA-N -2 0 353.396 3.266 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)c(F)c1 ZINC000832956541 601363388 /nfs/dbraw/zinc/36/33/88/601363388.db2.gz MMGCWRXRHZGCLB-UHFFFAOYSA-N -2 0 372.443 3.387 20 0 FGADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])c1 ZINC000826925041 601387596 /nfs/dbraw/zinc/38/75/96/601387596.db2.gz XTLZSPIYVBWVMA-UHFFFAOYSA-N -2 0 373.434 3.191 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccncc32)cc(F)c1F ZINC000755981930 601491884 /nfs/dbraw/zinc/49/18/84/601491884.db2.gz VGIDZLIRZCEPGY-UHFFFAOYSA-N -2 0 364.329 3.012 20 0 FGADRL Cc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000316077653 601575956 /nfs/dbraw/zinc/57/59/56/601575956.db2.gz IHWMVLRVBIFHKU-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL Cn1cc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000833052602 601783922 /nfs/dbraw/zinc/78/39/22/601783922.db2.gz CPEXZGYQOJEZFK-UHFFFAOYSA-N -2 0 370.839 3.392 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)ccc1Cl ZINC000314799341 601843501 /nfs/dbraw/zinc/84/35/01/601843501.db2.gz MXPJNUNSRWLYGD-UHFFFAOYSA-N -2 0 358.828 3.173 20 0 FGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829528358 601855492 /nfs/dbraw/zinc/85/54/92/601855492.db2.gz WGDMULPYTGWJOI-UHFFFAOYSA-N -2 0 359.400 3.175 20 0 FGADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000165991360 602158635 /nfs/dbraw/zinc/15/86/35/602158635.db2.gz AKOIVLAMOWEUIR-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL O=C([O-])[C@@H](CC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccccc1 ZINC000740350254 602647571 /nfs/dbraw/zinc/64/75/71/602647571.db2.gz UAOVLAOKLCVLBJ-INIZCTEOSA-N -2 0 368.389 3.314 20 0 FGADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000739444501 602653839 /nfs/dbraw/zinc/65/38/39/602653839.db2.gz KKJKFEPOLJZBGK-UHFFFAOYSA-N -2 0 370.377 3.266 20 0 FGADRL C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000825442592 603185416 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356.378 3.041 20 0 FGADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000193500288 712893693 /nfs/dbraw/zinc/89/36/93/712893693.db2.gz TWKNQMAUHCUSCT-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OC(C)C ZINC000782475139 724673080 /nfs/dbraw/zinc/67/30/80/724673080.db2.gz OEVHXEZTSHJEMD-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1F ZINC000749142464 722717557 /nfs/dbraw/zinc/71/75/57/722717557.db2.gz NZULOGVGBDZQBN-UHFFFAOYSA-N -2 0 362.382 3.125 20 0 FGADRL O=C([O-])/C=C/c1cnc(/C=C/c2ccc(OC(F)(F)C(=O)[O-])cc2)s1 ZINC000751040277 722792625 /nfs/dbraw/zinc/79/26/25/722792625.db2.gz WEDIFLIXNDVVIC-ABHPZVFCSA-N -2 0 367.329 3.468 20 0 FGADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1 ZINC000753769225 722912045 /nfs/dbraw/zinc/91/20/45/722912045.db2.gz HWOCLCAJLHJNIE-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC000793410620 723435402 /nfs/dbraw/zinc/43/54/02/723435402.db2.gz FKEHYTGBNIHTID-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cccnc2Cl)cc1)C(=O)[O-] ZINC000794766819 723545074 /nfs/dbraw/zinc/54/50/74/723545074.db2.gz IJXAOZUMJAQIQU-VIFPVBQESA-N -2 0 372.855 3.101 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)ccc1C(=O)[O-] ZINC000766895328 723597605 /nfs/dbraw/zinc/59/76/05/723597605.db2.gz FADIKOVARSLGFY-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000766895214 723597632 /nfs/dbraw/zinc/59/76/32/723597632.db2.gz ALIDORRSBBFUIH-UHFFFAOYSA-N -2 0 365.169 3.027 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000775296641 723979231 /nfs/dbraw/zinc/97/92/31/723979231.db2.gz HUOAUWKAWITYAT-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2cnc(C(F)F)c(C)c2)cc1C(=O)[O-] ZINC000901990594 743693641 /nfs/dbraw/zinc/69/36/41/743693641.db2.gz SQLJQEPLOOVRBY-UHFFFAOYSA-N -2 0 370.377 3.389 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c[nH]1 ZINC000071891207 205028637 /nfs/dbraw/zinc/02/86/37/205028637.db2.gz FHHFBLQINFDGDB-UHFFFAOYSA-N -2 0 368.720 3.186 20 0 FGADRL CCC[C@@H](CCCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000570767819 505575216 /nfs/dbraw/zinc/57/52/16/505575216.db2.gz KVTMUHPWYYNLLV-JTQLQIEISA-N -2 0 367.389 3.053 20 0 FGADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3C)c2n1 ZINC000084920106 494104608 /nfs/dbraw/zinc/10/46/08/494104608.db2.gz WXGHNOZXDDSECK-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1CCC(C)C ZINC000137805793 495451537 /nfs/dbraw/zinc/45/15/37/495451537.db2.gz BSAYOIQSJQCWLW-UHFFFAOYSA-N -2 0 365.455 3.045 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181280315 496337908 /nfs/dbraw/zinc/33/79/08/496337908.db2.gz GYADACDCRHZRNK-UHFFFAOYSA-N -2 0 374.340 3.162 20 0 FGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000172605517 496360484 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COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000547609642 504155105 /nfs/dbraw/zinc/15/51/05/504155105.db2.gz UQGLBHUCNWFRMG-UHFFFAOYSA-N -2 0 373.789 3.128 20 0 FGADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc12 ZINC000519305390 504186864 /nfs/dbraw/zinc/18/68/64/504186864.db2.gz QRAVIZTZUWYNCM-UHFFFAOYSA-N -2 0 356.812 3.382 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)CCCC(F)(F)F ZINC000547936457 504266147 /nfs/dbraw/zinc/26/61/47/504266147.db2.gz KMYFZNGYMRWNIC-UHFFFAOYSA-N -2 0 373.324 3.007 20 0 FGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548528598 504478074 /nfs/dbraw/zinc/47/80/74/504478074.db2.gz FLNAHKNKABKHBX-UHFFFAOYSA-N -2 0 363.288 3.050 20 0 FGADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000539397514 504556708 /nfs/dbraw/zinc/55/67/08/504556708.db2.gz DTOIBULJRLQWAI-SECBINFHSA-N -2 0 371.846 3.315 20 0 FGADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1CC ZINC000557423517 505130492 /nfs/dbraw/zinc/13/04/92/505130492.db2.gz DJGXCGCHJPWSSV-UHFFFAOYSA-N -2 0 363.435 3.319 20 0 FGADRL C/C=C/c1ccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cc1 ZINC000554690407 505241177 /nfs/dbraw/zinc/24/11/77/505241177.db2.gz XJCIJXNZMWZNDF-ONEGZZNKSA-N -2 0 361.419 3.156 20 0 FGADRL Cc1oc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1C(=O)[O-] ZINC000564653887 505483219 /nfs/dbraw/zinc/48/32/19/505483219.db2.gz TXSICEPBNPVYMK-INIZCTEOSA-N -2 0 367.398 3.245 20 0 FGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)ccc1Cl ZINC000591796891 507363897 /nfs/dbraw/zinc/36/38/97/507363897.db2.gz PUNZVFFGMYYYGR-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000314844553 597312946 /nfs/dbraw/zinc/31/29/46/597312946.db2.gz ANYVAFRQOVCOFY-UHFFFAOYSA-N -2 0 360.218 3.421 20 0 FGADRL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000105388465 599752436 /nfs/dbraw/zinc/75/24/36/599752436.db2.gz PEUOITOXVGNJJN-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL C[C@](CC(=O)[O-])(C(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC000736551595 599858719 /nfs/dbraw/zinc/85/87/19/599858719.db2.gz XJBMYFIETGMIPX-LJQANCHMSA-N -2 0 363.410 3.150 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC000321141676 600023042 /nfs/dbraw/zinc/02/30/42/600023042.db2.gz UCKVDNNYKXQWKN-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1cc2sc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)nc2c(C)c1 ZINC000738357404 600052562 /nfs/dbraw/zinc/05/25/62/600052562.db2.gz IJRMAVPWRSZGDJ-UHFFFAOYSA-N -2 0 368.461 3.474 20 0 FGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c1 ZINC000740143772 600054185 /nfs/dbraw/zinc/05/41/85/600054185.db2.gz JSSNHBANPZLRMK-UHFFFAOYSA-N -2 0 367.402 3.026 20 0 FGADRL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000736890676 600054284 /nfs/dbraw/zinc/05/42/84/600054284.db2.gz GKSFATSKMZYCET-VIFPVBQESA-N -2 0 354.453 3.464 20 0 FGADRL CC(C)c1csc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000736522969 600054771 /nfs/dbraw/zinc/05/47/71/600054771.db2.gz NYIWBMRMZYUCCL-UHFFFAOYSA-N -2 0 360.844 3.419 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])c2n1 ZINC000738675319 600099839 /nfs/dbraw/zinc/09/98/39/600099839.db2.gz JIKRCXWNFYIZHW-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)c1C(=O)[O-] ZINC000324157692 600104647 /nfs/dbraw/zinc/10/46/47/600104647.db2.gz ANAUOYHMSHRDMN-UHFFFAOYSA-N -2 0 372.830 3.115 20 0 FGADRL Cc1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)ccc2[nH]1 ZINC000738478197 600232197 /nfs/dbraw/zinc/23/21/97/600232197.db2.gz DUJAJUDICFBEAU-UHFFFAOYSA-N -2 0 366.345 3.254 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000738655429 600237432 /nfs/dbraw/zinc/23/74/32/600237432.db2.gz UJNYSITXGBNCRO-UHFFFAOYSA-N -2 0 357.334 3.095 20 0 FGADRL CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736968935 600241803 /nfs/dbraw/zinc/24/18/03/600241803.db2.gz APKVUOMTECDWBQ-LBPRGKRZSA-N -2 0 373.496 3.248 20 0 FGADRL CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736970843 600242502 /nfs/dbraw/zinc/24/25/02/600242502.db2.gz QNBQWUGVOZRUNG-AWEZNQCLSA-N -2 0 367.467 3.186 20 0 FGADRL Cc1ccc2nc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2c1 ZINC000325083517 600244036 /nfs/dbraw/zinc/24/40/36/600244036.db2.gz GTVUVZJAIZQLMO-UHFFFAOYSA-N -2 0 362.432 3.033 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cnc1Cl ZINC000738477113 600299219 /nfs/dbraw/zinc/29/92/19/600299219.db2.gz PZTCLAGKVWHFCG-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000740000956 600303510 /nfs/dbraw/zinc/30/35/10/600303510.db2.gz KKLCIIOOZPINQD-UHFFFAOYSA-N -2 0 358.778 3.048 20 0 FGADRL Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000738350899 600515865 /nfs/dbraw/zinc/51/58/65/600515865.db2.gz FREMGVBIAMYRJV-UHFFFAOYSA-N -2 0 362.451 3.495 20 0 FGADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc2=O)cc1 ZINC000832910204 600959874 /nfs/dbraw/zinc/95/98/74/600959874.db2.gz TVEDGCYTJWKKDB-UHFFFAOYSA-N -2 0 371.780 3.078 20 0 FGADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c2ccccc12 ZINC000830094627 600982429 /nfs/dbraw/zinc/98/24/29/600982429.db2.gz SGWJKPAXNMWHFT-UHFFFAOYSA-N -2 0 372.402 3.133 20 0 FGADRL CC(C)c1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])s1 ZINC000827139545 600983689 /nfs/dbraw/zinc/98/36/89/600983689.db2.gz NRVOFJGSENBFFT-UHFFFAOYSA-N -2 0 360.844 3.419 20 0 FGADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000829373471 601201803 /nfs/dbraw/zinc/20/18/03/601201803.db2.gz XNMVJKZJXGMBLP-UHFFFAOYSA-N -2 0 365.455 3.189 20 0 FGADRL CCCOc1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)c1 ZINC000829541670 601202656 /nfs/dbraw/zinc/20/26/56/601202656.db2.gz TZSPXTQDWWMUJS-UHFFFAOYSA-N -2 0 371.436 3.045 20 0 FGADRL Cc1cc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc(C)c1OCC(=O)[O-] ZINC000832880722 601208426 /nfs/dbraw/zinc/20/84/26/601208426.db2.gz GDVQYRDRZGMEEC-GGWOSOGESA-N -2 0 359.403 3.492 20 0 FGADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000833334165 601230873 /nfs/dbraw/zinc/23/08/73/601230873.db2.gz ADUTXKURMOLTBA-UHFFFAOYSA-N -2 0 368.823 3.449 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1C(=O)[O-] ZINC000832858928 601231054 /nfs/dbraw/zinc/23/10/54/601231054.db2.gz RIZIICQNZCEPFL-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1C(=O)[O-] ZINC000174766060 601334273 /nfs/dbraw/zinc/33/42/73/601334273.db2.gz INQMMKQKUXERCI-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000826763934 601358221 /nfs/dbraw/zinc/35/82/21/601358221.db2.gz MAJMPNRICXPSJK-LLVKDONJSA-N -2 0 369.418 3.128 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)o1 ZINC000833323908 601618345 /nfs/dbraw/zinc/61/83/45/601618345.db2.gz BCNAZGXYQDKDQZ-UHFFFAOYSA-N -2 0 363.313 3.274 20 0 FGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC(CC(=O)[O-])CC3)n2)c1 ZINC000827129158 601756573 /nfs/dbraw/zinc/75/65/73/601756573.db2.gz HGKKNHHGGPBSAI-UHFFFAOYSA-N -2 0 371.437 3.028 20 0 FGADRL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000321312015 601770948 /nfs/dbraw/zinc/77/09/48/601770948.db2.gz RCMNJBIHZBXYEB-UHFFFAOYSA-N -2 0 374.871 3.313 20 0 FGADRL CC(C)CCOc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000826860735 601837444 /nfs/dbraw/zinc/83/74/44/601837444.db2.gz DBHIAXPJIMVUMA-UHFFFAOYSA-N -2 0 370.452 3.067 20 0 FGADRL CC(C)c1csc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000314648270 601843575 /nfs/dbraw/zinc/84/35/75/601843575.db2.gz LUSGKGGBIYMEPZ-UHFFFAOYSA-N -2 0 360.844 3.419 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1F ZINC000832887319 601881698 /nfs/dbraw/zinc/88/16/98/601881698.db2.gz PXEHLRDXMDRYAW-UHFFFAOYSA-N -2 0 370.377 3.184 20 0 FGADRL CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000128000398 601986779 /nfs/dbraw/zinc/98/67/79/601986779.db2.gz IDAAPVKKSVTGPZ-UHFFFAOYSA-N -2 0 374.212 3.104 20 0 FGADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000829215669 602102529 /nfs/dbraw/zinc/10/25/29/602102529.db2.gz FNEDOFAGZNKEMU-PMDBQALLSA-N -2 0 363.439 3.212 20 0 FGADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cccs2)c2ccccc12 ZINC000138260984 602123686 /nfs/dbraw/zinc/12/36/86/602123686.db2.gz UVGLUPAWEHXVNT-UHFFFAOYSA-N -2 0 363.416 3.166 20 0 FGADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)c1 ZINC000825951723 602316053 /nfs/dbraw/zinc/31/60/53/602316053.db2.gz NELIKUOJPAEZGI-UHFFFAOYSA-N -2 0 373.839 3.412 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])c(F)c1 ZINC000740146641 602646389 /nfs/dbraw/zinc/64/63/89/602646389.db2.gz IEPFOQXOWMOCIE-UHFFFAOYSA-N -2 0 364.398 3.366 20 0 FGADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000825449606 603402935 /nfs/dbraw/zinc/40/29/35/603402935.db2.gz UTUOKEQZGJXKQQ-SNVBAGLBSA-N -2 0 354.815 3.469 20 0 FGADRL Cc1sc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(C(=O)[O-])c1C ZINC000833744799 605302272 /nfs/dbraw/zinc/30/22/72/605302272.db2.gz PJPXXQIUEPJLLZ-UHFFFAOYSA-N -2 0 361.391 3.451 20 0 FGADRL O=C([O-])/C=C\c1ccc(NC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000834060918 606055711 /nfs/dbraw/zinc/05/57/11/606055711.db2.gz MOSLJHONXDGMSY-JXMNSVBMSA-N -2 0 354.362 3.122 20 0 FGADRL O=C([O-])CSCc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000834065705 606060634 /nfs/dbraw/zinc/06/06/34/606060634.db2.gz PFFHRCYZQYSGCG-UHFFFAOYSA-N -2 0 360.391 3.347 20 0 FGADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C)cc2SC)cc1C(=O)[O-] ZINC000414400371 714004273 /nfs/dbraw/zinc/00/42/73/714004273.db2.gz WXVDGXFYDBJIOL-UHFFFAOYSA-N -2 0 354.453 3.037 20 0 FGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1F ZINC000427319071 714019327 /nfs/dbraw/zinc/01/93/27/714019327.db2.gz DFEAMLQQHSOURM-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)cc1C(=O)[O-] ZINC000504236329 714114970 /nfs/dbraw/zinc/11/49/70/714114970.db2.gz QSYBKNPRFFSXSI-UHFFFAOYSA-N -2 0 366.439 3.184 20 0 FGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780393350 724460718 /nfs/dbraw/zinc/46/07/18/724460718.db2.gz DAHKNAVSJYRBSR-UHFFFAOYSA-N -2 0 357.334 3.132 20 0 FGADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c(F)c1 ZINC000673884930 721675894 /nfs/dbraw/zinc/67/58/94/721675894.db2.gz FANRLJUKUXZICE-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL O=C([O-])CCSCc1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000739753165 722533865 /nfs/dbraw/zinc/53/38/65/722533865.db2.gz COHMXWIJFCFHBE-UHFFFAOYSA-N -2 0 357.478 3.257 20 0 FGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cccc3cccnc32)cc1F ZINC000742231627 722553576 /nfs/dbraw/zinc/55/35/76/722553576.db2.gz APQCZAQQQMCGTK-UHFFFAOYSA-N -2 0 364.329 3.012 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1F ZINC000749140747 722717478 /nfs/dbraw/zinc/71/74/78/722717478.db2.gz BMWNEOJRSNOUSZ-UHFFFAOYSA-N -2 0 371.361 3.171 20 0 FGADRL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1 ZINC000753773164 722912448 /nfs/dbraw/zinc/91/24/48/722912448.db2.gz UYISJZNSAFWRPR-UHFFFAOYSA-N -2 0 369.826 3.294 20 0 FGADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1C ZINC000759110104 722999666 /nfs/dbraw/zinc/99/96/66/722999666.db2.gz XGDGWCNIUKHSLF-UHFFFAOYSA-N -2 0 365.382 3.144 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(Cl)n1 ZINC000800835897 724234319 /nfs/dbraw/zinc/23/43/19/724234319.db2.gz HXKOXBWMXJILKH-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)nn1C(C)C ZINC000817358331 727243175 /nfs/dbraw/zinc/24/31/75/727243175.db2.gz WFKFNXINMYRRRT-UHFFFAOYSA-N -2 0 371.846 3.233 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)c1C(=O)[O-] ZINC000832972437 729737232 /nfs/dbraw/zinc/73/72/32/729737232.db2.gz CCFAPXOFPTYONT-UHFFFAOYSA-N -2 0 363.435 3.497 20 0 FGADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000013058951 494277281 /nfs/dbraw/zinc/27/72/81/494277281.db2.gz CBENVLBWTSNCRU-UHFFFAOYSA-N -2 0 360.218 3.421 20 0 FGADRL O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1cc(F)cc(Cl)c1[O-] ZINC000571408598 505726696 /nfs/dbraw/zinc/72/66/96/505726696.db2.gz UUFBUGHGFOTTAJ-UHFFFAOYSA-N -2 0 371.817 3.104 20 0 FGADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000057123366 494646893 /nfs/dbraw/zinc/64/68/93/494646893.db2.gz IIHLWGKYRNGKJL-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000134621829 495177791 /nfs/dbraw/zinc/17/77/91/495177791.db2.gz ONFAMEHLJAAPRO-UHFFFAOYSA-N -2 0 355.362 3.173 20 0 FGADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000134621775 495178119 /nfs/dbraw/zinc/17/81/19/495178119.db2.gz PLCCUCOBOZQCDN-UHFFFAOYSA-N -2 0 373.352 3.312 20 0 FGADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c1C ZINC000137697127 495448338 /nfs/dbraw/zinc/44/83/38/495448338.db2.gz KRGACRHHCOBVOV-UHFFFAOYSA-N -2 0 365.455 3.053 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000145660662 495557896 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FGADRL O=C([O-])[C@@H]1C[C@H]1c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC000634794603 717117804 /nfs/dbraw/zinc/11/78/04/717117804.db2.gz KBNWWZAXEPGQPE-WDEREUQCSA-N -2 0 357.334 3.206 20 0 FGADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000780415857 724464604 /nfs/dbraw/zinc/46/46/04/724464604.db2.gz AYYOZWWZNUWFFJ-UHFFFAOYSA-N -2 0 365.382 3.144 20 0 FGADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000783872477 724799202 /nfs/dbraw/zinc/79/92/02/724799202.db2.gz FOHSVPLGFNVKEC-UHFFFAOYSA-N -2 0 371.773 3.181 20 0 FGADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753775546 722912670 /nfs/dbraw/zinc/91/26/70/722912670.db2.gz NWYXDRYIOADSOJ-UHFFFAOYSA-N -2 0 371.361 3.171 20 0 FGADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000763285129 723329750 /nfs/dbraw/zinc/32/97/50/723329750.db2.gz UAWBUPZTSXXOOC-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1C ZINC000793431151 723437221 /nfs/dbraw/zinc/43/72/21/723437221.db2.gz WQWQQIGRQHMZEW-JTQLQIEISA-N -2 0 369.418 3.109 20 0 FGADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000766570854 723581728 /nfs/dbraw/zinc/58/17/28/723581728.db2.gz MFJXSJHZNUAKJM-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000795351313 723584330 /nfs/dbraw/zinc/58/43/30/723584330.db2.gz KZLPVLASXTWDRM-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000775296035 723978820 /nfs/dbraw/zinc/97/88/20/723978820.db2.gz ZEEGVBUOBAYLBS-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000863952828 733020056 /nfs/dbraw/zinc/02/00/56/733020056.db2.gz FDEXGMSQLSHRLB-UHFFFAOYSA-N -2 0 367.467 3.184 20 0 FGADRL CCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(C(=O)[O-])c1 ZINC000917744446 758265220 /nfs/dbraw/zinc/26/52/20/758265220.db2.gz ZFBOXLJYCHNCHC-UHFFFAOYSA-N -2 0 354.815 3.187 20 0 FGADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1sccc1Br ZINC000048443358 493829164 /nfs/dbraw/zinc/82/91/64/493829164.db2.gz ADKMDOFKRGFSAQ-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)c(C)c1C(=O)[O-] ZINC000156276327 496205144 /nfs/dbraw/zinc/20/51/44/496205144.db2.gz PPZJJXHJJGEHNA-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000184904316 496578736 /nfs/dbraw/zinc/57/87/36/496578736.db2.gz ROBNGKNXCBIMNL-GFCCVEGCSA-N -2 0 369.389 3.419 20 0 FGADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1)C(=O)[O-] ZINC000184904146 496579321 /nfs/dbraw/zinc/57/93/21/496579321.db2.gz FUWMKSHXJPCPFN-GFCCVEGCSA-N -2 0 369.389 3.419 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185260160 496719826 /nfs/dbraw/zinc/71/98/26/496719826.db2.gz BDPMRPLAEXORAN-UHFFFAOYSA-N -2 0 362.382 3.368 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1OC(C)C ZINC000578407833 505931923 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CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c2ncccc12 ZINC000463800979 501825057 /nfs/dbraw/zinc/82/50/57/501825057.db2.gz VHISUIMYEDVXJV-UHFFFAOYSA-N -2 0 372.402 3.133 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000467750691 501860295 /nfs/dbraw/zinc/86/02/95/501860295.db2.gz AYDVGGZYSCWSDR-UHFFFAOYSA-N -2 0 353.396 3.012 20 0 FGADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471926878 502174119 /nfs/dbraw/zinc/17/41/19/502174119.db2.gz IURBPKIMOHWFNH-UHFFFAOYSA-N -2 0 368.773 3.459 20 0 FGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000468888621 502218948 /nfs/dbraw/zinc/21/89/48/502218948.db2.gz JCZGBABOKPAHRC-UHFFFAOYSA-N -2 0 361.828 3.299 20 0 FGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C ZINC000480241155 502510395 /nfs/dbraw/zinc/51/03/95/502510395.db2.gz LYOSSMMSRRQBIK-VIFPVBQESA-N -2 0 371.846 3.315 20 0 FGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466288908 502526581 /nfs/dbraw/zinc/52/65/81/502526581.db2.gz OEQORHRZLCLDEF-UHFFFAOYSA-N -2 0 371.361 3.404 20 0 FGADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000484979427 502791414 /nfs/dbraw/zinc/79/14/14/502791414.db2.gz IIBSBNIJOJKHCE-UHFFFAOYSA-N -2 0 353.371 3.112 20 0 FGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000505126259 502855845 /nfs/dbraw/zinc/85/58/45/502855845.db2.gz XEVTVSQTTWRMPZ-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489556597 502985308 /nfs/dbraw/zinc/98/53/08/502985308.db2.gz KYSKWXHYGZHJRY-UHFFFAOYSA-N -2 0 371.361 3.253 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(C(=O)[O-])c1 ZINC000504601029 503595460 /nfs/dbraw/zinc/59/54/60/503595460.db2.gz GCNYTVDUEHEMTF-UHFFFAOYSA-N -2 0 363.416 3.409 20 0 FGADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000504657505 503601482 /nfs/dbraw/zinc/60/14/82/503601482.db2.gz FSTHKQAJXQXROZ-UHFFFAOYSA-N -2 0 373.789 3.133 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c(C(=O)[O-])c1 ZINC000504666430 503602679 /nfs/dbraw/zinc/60/26/79/503602679.db2.gz TWEIFHDIRGSVSR-UHFFFAOYSA-N -2 0 372.402 3.051 20 0 FGADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)s1 ZINC000504694952 503605730 /nfs/dbraw/zinc/60/57/30/503605730.db2.gz LMHVAELRVNOAPX-SECBINFHSA-N -2 0 372.493 3.126 20 0 FGADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512743641 503623977 /nfs/dbraw/zinc/62/39/77/503623977.db2.gz YINSQQPSXQZLSH-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512775980 503629694 /nfs/dbraw/zinc/62/96/94/503629694.db2.gz GQRWHGWGNOYYIZ-UHFFFAOYSA-N -2 0 355.412 3.355 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c1C ZINC000527314921 503761611 /nfs/dbraw/zinc/76/16/11/503761611.db2.gz RPBZZGWPCVWQBO-UHFFFAOYSA-N -2 0 358.419 3.294 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])sc1Cl ZINC000530383428 503943906 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FGADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000548524937 504476643 /nfs/dbraw/zinc/47/66/43/504476643.db2.gz HFDRMDLXRJIDLG-UHFFFAOYSA-N -2 0 371.370 3.037 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC000556284421 504835988 /nfs/dbraw/zinc/83/59/88/504835988.db2.gz XTAXWNMKMGWJAF-UHFFFAOYSA-N -2 0 355.437 3.343 20 0 FGADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c2ccccc2n1C ZINC000551115126 505160603 /nfs/dbraw/zinc/16/06/03/505160603.db2.gz ZLBXEOGBTFYFNN-UHFFFAOYSA-N -2 0 358.419 3.294 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncsc1C(C)C ZINC000554689556 505240675 /nfs/dbraw/zinc/24/06/75/505240675.db2.gz FUJPGGJTHXQUAS-UHFFFAOYSA-N -2 0 354.453 3.328 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)c1 ZINC000607103614 507612638 /nfs/dbraw/zinc/61/26/38/507612638.db2.gz FVKJPZWESDKHMX-UHFFFAOYSA-N -2 0 371.411 3.175 20 0 FGADRL O=C([O-])CSCc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000739871490 599986404 /nfs/dbraw/zinc/98/64/04/599986404.db2.gz DNFDDOKOJHXJQY-UHFFFAOYSA-N -2 0 365.451 3.368 20 0 FGADRL N#Cc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1 ZINC000324603010 600051250 /nfs/dbraw/zinc/05/12/50/600051250.db2.gz AMHNMIUTXWWZHH-UHFFFAOYSA-N -2 0 358.400 3.272 20 0 FGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000391123581 600052639 /nfs/dbraw/zinc/05/26/39/600052639.db2.gz CGYGFQGZLUMFFV-UHFFFAOYSA-N -2 0 368.823 3.449 20 0 FGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c1C(=O)[O-] ZINC000738968834 600055128 /nfs/dbraw/zinc/05/51/28/600055128.db2.gz COZRAVNYKITFNS-JTQLQIEISA-N -2 0 369.443 3.199 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)s1 ZINC000324558332 600103092 /nfs/dbraw/zinc/10/30/92/600103092.db2.gz ORWRYAJTKSJIJV-UHFFFAOYSA-N -2 0 366.464 3.237 20 0 FGADRL CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736968933 600241790 /nfs/dbraw/zinc/24/17/90/600241790.db2.gz APKVUOMTECDWBQ-GFCCVEGCSA-N -2 0 373.496 3.248 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cnc1Cl ZINC000097575804 600298588 /nfs/dbraw/zinc/29/85/88/600298588.db2.gz WXSCFHHEGSIWHA-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)c(C)c1C ZINC000738064222 600299423 /nfs/dbraw/zinc/29/94/23/600299423.db2.gz WSZAEQQWRMZUOP-UHFFFAOYSA-N -2 0 355.437 3.181 20 0 FGADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000826113239 600668782 /nfs/dbraw/zinc/66/87/82/600668782.db2.gz FUJGFIIMNSTQNQ-NRFANRHFSA-N -2 0 369.417 3.420 20 0 FGADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000832235267 600874697 /nfs/dbraw/zinc/87/46/97/600874697.db2.gz GGQNZDICNVHETR-CQSZACIVSA-N -2 0 372.402 3.071 20 0 FGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c1 ZINC000833297038 600975549 /nfs/dbraw/zinc/97/55/49/600975549.db2.gz HNAKOIXZSMVSKV-UHFFFAOYSA-N -2 0 372.855 3.174 20 0 FGADRL O=C([O-])[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccccc1 ZINC000833133242 601211612 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Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1C ZINC000832868376 601576579 /nfs/dbraw/zinc/57/65/79/601576579.db2.gz RRXFDGBIANPLJU-UHFFFAOYSA-N -2 0 372.402 3.457 20 0 FGADRL CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC000829304406 601599216 /nfs/dbraw/zinc/59/92/16/601599216.db2.gz FMMYVAQLNRXRJB-HNNXBMFYSA-N -2 0 355.456 3.042 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)ccc1Cl ZINC000740811974 601830135 /nfs/dbraw/zinc/83/01/35/601830135.db2.gz LJIPNJZWWWTHHO-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877048 601830144 /nfs/dbraw/zinc/83/01/44/601830144.db2.gz YQSLHGSHXNGQHD-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])s1 ZINC000832999164 602119650 /nfs/dbraw/zinc/11/96/50/602119650.db2.gz PCMCZRMFNXSHMH-UHFFFAOYSA-N -2 0 368.480 3.457 20 0 FGADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000826864977 602201409 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C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCC3)cc1 ZINC000421155677 499974951 /nfs/dbraw/zinc/97/49/51/499974951.db2.gz OFELDHJUGRJWNX-GFCCVEGCSA-N -2 0 361.419 3.001 20 0 FGADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436479352 501135165 /nfs/dbraw/zinc/13/51/65/501135165.db2.gz VFQWUDLULSDGBO-UHFFFAOYSA-N -2 0 362.329 3.006 20 0 FGADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000447114205 501206008 /nfs/dbraw/zinc/20/60/08/501206008.db2.gz PPLGOKOQQAKXAH-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL COc1cc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c(Cl)cc1C(=O)[O-] ZINC000485289053 501777881 /nfs/dbraw/zinc/77/78/81/501777881.db2.gz JUNJSMZZTVUTJK-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CCc1ncc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])s1 ZINC000460765052 501915584 /nfs/dbraw/zinc/91/55/84/501915584.db2.gz CYGZWGDBVFGJEZ-UHFFFAOYSA-N -2 0 360.844 3.166 20 0 FGADRL COc1ccsc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000471132976 501930689 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495321884 /nfs/dbraw/zinc/32/18/84/495321884.db2.gz KODGODFMAXBSJU-UHFFFAOYSA-N -2 0 368.219 3.260 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1C(F)(F)F ZINC000120315234 495350541 /nfs/dbraw/zinc/35/05/41/495350541.db2.gz FYVVSCKEQQKHQO-UHFFFAOYSA-N -2 0 363.288 3.344 20 0 FGADRL CCCn1ncc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1C1CC1 ZINC000574841723 505865945 /nfs/dbraw/zinc/86/59/45/505865945.db2.gz HAJOVEHVECIIFO-UHFFFAOYSA-N -2 0 355.847 3.330 20 0 FGADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1c(C)c(F)ccc1C(=O)[O-] ZINC000572343761 505946111 /nfs/dbraw/zinc/94/61/11/505946111.db2.gz GBESOSVHFNVVBB-UHFFFAOYSA-N -2 0 367.398 3.259 20 0 FGADRL COc1c(C)ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000319590165 498802811 /nfs/dbraw/zinc/80/28/11/498802811.db2.gz KEMOKQVHQLTNEO-UHFFFAOYSA-N -2 0 355.437 3.181 20 0 FGADRL CC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000324208523 498825950 /nfs/dbraw/zinc/82/59/50/498825950.db2.gz SAVBETWIRJZCMN-UHFFFAOYSA-N -2 0 353.783 3.042 20 0 FGADRL CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000327469563 498858239 /nfs/dbraw/zinc/85/82/39/498858239.db2.gz TWZZIZHFLIWBAC-UHFFFAOYSA-N -2 0 367.398 3.360 20 0 FGADRL O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447793313 500662863 /nfs/dbraw/zinc/66/28/63/500662863.db2.gz BGOXJPARPQLPKS-UHFFFAOYSA-N -2 0 353.268 3.490 20 0 FGADRL Cc1nc(C=Cc2cc(Cl)cc3c2OCC3)[nH]c(=O)c1CCC(=O)[O-] ZINC000443457143 500727154 /nfs/dbraw/zinc/72/71/54/500727154.db2.gz XPEFSFKHFZUQOG-RQOWECAXSA-N -2 0 360.797 3.267 20 0 FGADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1c([O-])cc(Cl)cc1Cl ZINC000436674056 501185449 /nfs/dbraw/zinc/18/54/49/501185449.db2.gz GRPVYUBMMUTFAV-UHFFFAOYSA-N -2 0 367.217 3.287 20 0 FGADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2sccc2OC)cc1)C(=O)[O-] ZINC000463783960 501821139 /nfs/dbraw/zinc/82/11/39/501821139.db2.gz RLUSRLOSYBDKRB-GFCCVEGCSA-N -2 0 369.464 3.211 20 0 FGADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000478699252 502061040 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Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000484815304 502746607 /nfs/dbraw/zinc/74/66/07/502746607.db2.gz ZJITYHSULYVQKZ-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000484957831 502786349 /nfs/dbraw/zinc/78/63/49/502786349.db2.gz DBCJNBVLDJZWAH-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)ccc1C(=O)[O-] ZINC000506639797 503147692 /nfs/dbraw/zinc/14/76/92/503147692.db2.gz OJEHXAKYSHLVAP-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1 ZINC000511151323 503269709 /nfs/dbraw/zinc/26/97/09/503269709.db2.gz STVDUEGCMXNKGP-UHFFFAOYSA-N -2 0 361.419 3.073 20 0 FGADRL O=C([O-])COc1cccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)c1 ZINC000499150203 503344932 /nfs/dbraw/zinc/34/49/32/503344932.db2.gz INDWTOIVENQETR-JYRVWZFOSA-N -2 0 353.330 3.307 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000499272690 503370058 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CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000548265692 504378274 /nfs/dbraw/zinc/37/82/74/504378274.db2.gz HCMZQOSWCYTUNN-UHFFFAOYSA-N -2 0 371.361 3.004 20 0 FGADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000542736196 504592079 /nfs/dbraw/zinc/59/20/79/504592079.db2.gz VXRBNESEKOKKPM-UHFFFAOYSA-N -2 0 374.187 3.087 20 0 FGADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000536499511 504748891 /nfs/dbraw/zinc/74/88/91/504748891.db2.gz ZJYOXEYIUDSNMY-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL COc1cc(/C=C\c2nc(C(=O)[O-])c(C)s2)ccc1OCCC(=O)[O-] ZINC000555466382 505437167 /nfs/dbraw/zinc/43/71/67/505437167.db2.gz IGUGASYWHVXLIS-XQRVVYSFSA-N -2 0 363.391 3.182 20 0 FGADRL Cc1ccc(-c2cc(=NC(=O)c3cc(O)ccc3C(F)(F)F)[nH][n-]2)o1 ZINC000559051790 505558592 /nfs/dbraw/zinc/55/85/92/505558592.db2.gz LPNLVWIDGYRVOX-UHFFFAOYSA-N -2 0 351.284 3.377 20 0 FGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)c1C ZINC000564973158 505564754 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3.373 20 0 FGADRL O=C([O-])c1cccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1O ZINC000391222547 600176919 /nfs/dbraw/zinc/17/69/19/600176919.db2.gz LSYLQUBVXMHKBQ-CMDGGOBGSA-N -2 0 353.783 3.156 20 0 FGADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1C ZINC000737191980 600234801 /nfs/dbraw/zinc/23/48/01/600234801.db2.gz MOJYONCBFNTHLL-UHFFFAOYSA-N -2 0 371.361 3.171 20 0 FGADRL O=C([O-])c1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c(OC(F)F)c1 ZINC000740150113 600277395 /nfs/dbraw/zinc/27/73/95/600277395.db2.gz INYIIFVALRJYKW-UHFFFAOYSA-N -2 0 374.299 3.080 20 0 FGADRL Cc1ccc(-c2cc(C(=O)[N-]c3nnc(CCCC(=O)[O-])s3)on2)cc1 ZINC000738488891 600538055 /nfs/dbraw/zinc/53/80/55/600538055.db2.gz WRCLGZBVAULKCL-UHFFFAOYSA-N -2 0 372.406 3.161 20 0 FGADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000740136865 600784718 /nfs/dbraw/zinc/78/47/18/600784718.db2.gz ZKGNTCCOSWDCSX-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL CCCn1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)ccc21 ZINC000829585066 601229980 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CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000829527604 601855713 /nfs/dbraw/zinc/85/57/13/601855713.db2.gz HNOVRHPDTPATMK-UHFFFAOYSA-N -2 0 371.361 3.253 20 0 FGADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n[nH]1 ZINC000829216819 602102302 /nfs/dbraw/zinc/10/23/02/602102302.db2.gz SROJARNZAIFZQB-SNVBAGLBSA-N -2 0 351.428 3.121 20 0 FGADRL CN(Cc1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21)C(=O)[O-] ZINC000739715811 603151886 /nfs/dbraw/zinc/15/18/86/603151886.db2.gz QXZQJIGMHDUTAH-UHFFFAOYSA-N -2 0 371.418 3.145 20 0 FGADRL Cc1ccc([C@H](CNC(=O)c2cc(F)cc(Cl)c2[O-])C(=O)[O-])cc1 ZINC000832922266 604263353 /nfs/dbraw/zinc/26/33/53/604263353.db2.gz FYORDCLZOSKRQH-ZDUSSCGKSA-N -2 0 351.761 3.091 20 0 FGADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000833741380 605126483 /nfs/dbraw/zinc/12/64/83/605126483.db2.gz KNCFYOBMJQSJTP-UHFFFAOYSA-N -2 0 366.395 3.243 20 0 FGADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1C(C)C ZINC000833493321 605151545 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CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(C)=O)cc1C(=O)[O-] ZINC000783874783 724799110 /nfs/dbraw/zinc/79/91/10/724799110.db2.gz ZKXHIUNCVOMZHU-UHFFFAOYSA-N -2 0 365.382 3.090 20 0 FGADRL CCc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C(=O)[O-])c1 ZINC000735267819 722514188 /nfs/dbraw/zinc/51/41/88/722514188.db2.gz HVDOPQRGDQJKKS-UHFFFAOYSA-N -2 0 354.815 3.105 20 0 FGADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749141591 722717556 /nfs/dbraw/zinc/71/75/56/722717556.db2.gz JIYZIGJLNCJGQQ-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1O ZINC000749146028 722717809 /nfs/dbraw/zinc/71/78/09/722717809.db2.gz QBENHDFXUJCWHT-UHFFFAOYSA-N -2 0 373.789 3.301 20 0 FGADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000756936994 722972132 /nfs/dbraw/zinc/97/21/32/722972132.db2.gz RLQCUCGRFJUFHB-UHFFFAOYSA-N -2 0 369.345 3.057 20 0 FGADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000766896397 723597603 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FGADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(C(F)F)c(C)c2)c(C)c1C(=O)[O-] ZINC000901988188 743693827 /nfs/dbraw/zinc/69/38/27/743693827.db2.gz ALNNHNHRMKGURM-UHFFFAOYSA-N -2 0 370.377 3.443 20 0 FGADRL O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)C[C@H]2CCCC2(F)F)c1 ZINC000903523336 743857726 /nfs/dbraw/zinc/85/77/26/743857726.db2.gz UEYPOURODFRATD-GFCCVEGCSA-N -2 0 370.377 3.110 20 0 FGADRL COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000007057637 206244402 /nfs/dbraw/zinc/24/44/02/206244402.db2.gz VJGXDZLBZYWUMK-UHFFFAOYSA-N -2 0 363.435 3.492 20 0 FGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000573585943 505572357 /nfs/dbraw/zinc/57/23/57/505572357.db2.gz ZOMDJNGYEXOTPF-UHFFFAOYSA-N -2 0 363.288 3.050 20 0 FGADRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000064478955 494127342 /nfs/dbraw/zinc/12/73/42/494127342.db2.gz JFGIJSKSLVCTCZ-UHFFFAOYSA-N -2 0 374.418 3.189 20 0 FGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000054294756 494218608 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O=C([O-])c1c[nH]c2cc(NS(=O)(=O)C[C@H]3CCCC3(F)F)ccc12 ZINC000296969037 498270123 /nfs/dbraw/zinc/27/01/23/498270123.db2.gz ONMADUMOVZTGKB-SECBINFHSA-N -2 0 358.366 3.043 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(O)c1 ZINC000314487746 498777159 /nfs/dbraw/zinc/77/71/59/498777159.db2.gz QQCHMULANJWFIL-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL Cc1nc2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2s1 ZINC000315957671 498785276 /nfs/dbraw/zinc/78/52/76/498785276.db2.gz CLEDXNZUTFQJHH-UHFFFAOYSA-N -2 0 354.434 3.165 20 0 FGADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000320834476 498811438 /nfs/dbraw/zinc/81/14/38/498811438.db2.gz NWMMTHBFMAJYJR-UHFFFAOYSA-N -2 0 355.437 3.344 20 0 FGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000326293144 498842487 /nfs/dbraw/zinc/84/24/87/498842487.db2.gz GVJDBLXOVUJQRE-UHFFFAOYSA-N -2 0 353.371 3.114 20 0 FGADRL Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000410395448 499659982 /nfs/dbraw/zinc/65/99/82/499659982.db2.gz BVEPSRYEKDRUCV-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL CC(C)Oc1c([N-]S(=O)(=O)c2cccc(F)c2F)cccc1C(=O)[O-] ZINC000410400838 499660142 /nfs/dbraw/zinc/66/01/42/499660142.db2.gz JSKHEHTWKMTFKB-UHFFFAOYSA-N -2 0 371.361 3.251 20 0 FGADRL Cc1ccc(-c2cc(C(=O)N=c3cc(-c4ccccc4F)o[nH]3)n[nH]2)o1 ZINC000448491267 500764784 /nfs/dbraw/zinc/76/47/84/500764784.db2.gz GJVCPPCWQXLYSI-UHFFFAOYSA-N -2 0 352.325 3.446 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)cc1C(=O)[O-] ZINC000440839150 501055143 /nfs/dbraw/zinc/05/51/43/501055143.db2.gz ZQXCSJXYZIINNA-UHFFFAOYSA-N -2 0 369.826 3.415 20 0 FGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000481960075 501929321 /nfs/dbraw/zinc/92/93/21/501929321.db2.gz CBBLXXHPMNYHKC-UHFFFAOYSA-N -2 0 357.334 3.095 20 0 FGADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481966590 501931690 /nfs/dbraw/zinc/93/16/90/501931690.db2.gz HEFRFWCBYBRGHU-UHFFFAOYSA-N -2 0 363.435 3.293 20 0 FGADRL CSc1ccccc1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000479189962 502188864 /nfs/dbraw/zinc/18/88/64/502188864.db2.gz FZODKRIDDBWOBE-UHFFFAOYSA-N -2 0 362.432 3.389 20 0 FGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000469267221 502355893 /nfs/dbraw/zinc/35/58/93/502355893.db2.gz YGTDHNGNLNSMOP-UHFFFAOYSA-N -2 0 355.799 3.238 20 0 FGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000480206154 502500861 /nfs/dbraw/zinc/50/08/61/502500861.db2.gz ZDIJFGLZULRPSU-VIFPVBQESA-N -2 0 371.846 3.315 20 0 FGADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C(C)C ZINC000480236466 502509697 /nfs/dbraw/zinc/50/96/97/502509697.db2.gz ZAFARZVOPJCXTD-UHFFFAOYSA-N -2 0 365.455 3.306 20 0 FGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC000476628674 502543895 /nfs/dbraw/zinc/54/38/95/502543895.db2.gz NKXXSKSPWSWWIT-UHFFFAOYSA-N -2 0 372.402 3.051 20 0 FGADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1O ZINC000484049250 502557407 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Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1C(=O)[O-] ZINC000513816735 503028806 /nfs/dbraw/zinc/02/88/06/503028806.db2.gz SSPDQCUWUUPNEA-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1C(=O)[O-] ZINC000513819131 503029350 /nfs/dbraw/zinc/02/93/50/503029350.db2.gz QKJNDSVAZWMIAE-UHFFFAOYSA-N -2 0 355.799 3.107 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)ccc1C(=O)[O-] ZINC000507932003 503397824 /nfs/dbraw/zinc/39/78/24/503397824.db2.gz APDPFFJNAFZZOH-UHFFFAOYSA-N -2 0 363.435 3.497 20 0 FGADRL CC(C)c1cccc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000504508173 503581413 /nfs/dbraw/zinc/58/14/13/503581413.db2.gz RVOMFUCCZUTJQH-UHFFFAOYSA-N -2 0 363.435 3.464 20 0 FGADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000509075602 503635802 /nfs/dbraw/zinc/63/58/02/503635802.db2.gz RNVIIMLIRHXCTB-UHFFFAOYSA-N -2 0 362.794 3.387 20 0 FGADRL CC(C)(CCNC(=O)c1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC000517235757 503688822 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CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000392300349 713989661 /nfs/dbraw/zinc/98/96/61/713989661.db2.gz FFUNGJXVCDZSRC-UHFFFAOYSA-N -2 0 366.439 3.104 20 0 FGADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)cc1C(=O)[O-] ZINC000443527995 714032261 /nfs/dbraw/zinc/03/22/61/714032261.db2.gz IBMXJCLDIPBANT-UHFFFAOYSA-N -2 0 366.439 3.010 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc(C(=O)[O-])c1 ZINC000507585162 714120180 /nfs/dbraw/zinc/12/01/80/714120180.db2.gz SYPLJNNNXNQSQM-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000747605151 722651986 /nfs/dbraw/zinc/65/19/86/722651986.db2.gz XDLKWHGJRIGSFO-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC000634790485 717115784 /nfs/dbraw/zinc/11/57/84/717115784.db2.gz JIQQAIPIEMPRIK-UHFFFAOYSA-N -2 0 359.350 3.425 20 0 FGADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000780418722 724465173 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COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000775296640 723979041 /nfs/dbraw/zinc/97/90/41/723979041.db2.gz HUKHXLLZTBXSSP-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000775296730 723979047 /nfs/dbraw/zinc/97/90/47/723979047.db2.gz JNKNNKLPEYPBOZ-UHFFFAOYSA-N -2 0 361.828 3.218 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c1Cl ZINC000775676102 724021895 /nfs/dbraw/zinc/02/18/95/724021895.db2.gz QNFXYEMYXWGYPG-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1C ZINC000775679067 724022671 /nfs/dbraw/zinc/02/26/71/724022671.db2.gz LWXHSVXHCDDHEI-JTQLQIEISA-N -2 0 369.418 3.109 20 0 FGADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000060800277 493955248 /nfs/dbraw/zinc/95/52/48/493955248.db2.gz JBORKXIZCFPRQW-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL Cc1c([N-]S(=O)(=O)c2ccccc2Br)cccc1C(=O)[O-] ZINC000040692863 494144962 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C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)[O-] ZINC000184650458 496479823 /nfs/dbraw/zinc/47/98/23/496479823.db2.gz FMFOYXUKQLNWBD-SECBINFHSA-N -2 0 359.856 3.466 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c1 ZINC000321667551 498814176 /nfs/dbraw/zinc/81/41/76/498814176.db2.gz TZASPJZXXXADRO-UHFFFAOYSA-N -2 0 368.823 3.449 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000321648302 498814213 /nfs/dbraw/zinc/81/42/13/498814213.db2.gz QHKJCDVQGZOEHI-UHFFFAOYSA-N -2 0 366.445 3.371 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)c(Cl)c1 ZINC000326700907 498846144 /nfs/dbraw/zinc/84/61/44/498846144.db2.gz UXXVHIIJOOBUFC-UHFFFAOYSA-N -2 0 362.794 3.387 20 0 FGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000388302067 499550190 /nfs/dbraw/zinc/55/01/90/499550190.db2.gz VNESMKOBJJBZTE-UHFFFAOYSA-N -2 0 360.218 3.421 20 0 FGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1O ZINC000388796663 499551507 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C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1F ZINC000795381749 723586951 /nfs/dbraw/zinc/58/69/51/723586951.db2.gz QLBLIWLPZBOVHF-MRVPVSSYSA-N -2 0 373.789 3.031 20 0 FGADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000777915694 724270691 /nfs/dbraw/zinc/27/06/91/724270691.db2.gz PXQKZAGYXGQBFT-UHFFFAOYSA-N -2 0 365.169 3.027 20 0 FGADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ncsc2C2CC2)cc1C(=O)[O-] ZINC000882773074 737490034 /nfs/dbraw/zinc/49/00/34/737490034.db2.gz YIHDDTKQQVHRHQ-UHFFFAOYSA-N -2 0 372.855 3.481 20 0 FGADRL CCOc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc(Cl)c1O ZINC000910241481 744433333 /nfs/dbraw/zinc/43/33/33/744433333.db2.gz UZOJIVKLTFGCRJ-MBNYWOFBSA-N -2 0 367.829 3.160 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(O)c1 ZINC000037592405 494107833 /nfs/dbraw/zinc/10/78/33/494107833.db2.gz XXTPUMSVOIYBMZ-UHFFFAOYSA-N -2 0 368.219 3.260 20 0 FGADRL COc1cc(Cl)c(S(=O)(=O)Nc2cccc(O)c2F)cc1OC ZINC000574007256 505671996 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COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000320870385 498810965 /nfs/dbraw/zinc/81/09/65/498810965.db2.gz RRVPMMKTQNIQCO-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c[nH]1 ZINC000326755696 498847852 /nfs/dbraw/zinc/84/78/52/498847852.db2.gz NBEGZTRJUGIUBA-UHFFFAOYSA-N -2 0 358.375 3.306 20 0 FGADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000327345292 498855748 /nfs/dbraw/zinc/85/57/48/498855748.db2.gz CGYFUCIZKUJZNW-UHFFFAOYSA-N -2 0 367.398 3.340 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)c2n1 ZINC000327475427 498858250 /nfs/dbraw/zinc/85/82/50/498858250.db2.gz AQBWLJTWJYPPEC-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccnc2)ccc1C ZINC000373507953 499473919 /nfs/dbraw/zinc/47/39/19/499473919.db2.gz DMOOYKXUNAAVJI-UHFFFAOYSA-N -2 0 372.402 3.457 20 0 FGADRL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(Cl)c1[O-] ZINC000421159420 499976678 /nfs/dbraw/zinc/97/66/78/499976678.db2.gz UGPXJRRKCNPSGX-CYBMUJFWSA-N -2 0 355.843 3.045 20 0 FGADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(O)c1 ZINC000443529302 500734758 /nfs/dbraw/zinc/73/47/58/500734758.db2.gz LMVZOFPYLWJJKV-UHFFFAOYSA-N -2 0 367.398 3.328 20 0 FGADRL CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000438810607 500821461 /nfs/dbraw/zinc/82/14/61/500821461.db2.gz LFFIUVMHNIBONN-UHFFFAOYSA-N -2 0 367.398 3.250 20 0 FGADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N(CC2CCC2)c2ccccc2)c1 ZINC000439579639 500915812 /nfs/dbraw/zinc/91/58/12/500915812.db2.gz ZFBCAKRGBBBHRQ-UHFFFAOYSA-N -2 0 361.419 3.086 20 0 FGADRL CCc1[nH][nH]c(=NC(=O)c2cccc(C)c2[O-])c1-c1ccc2c(c1)OCO2 ZINC000440467744 501010589 /nfs/dbraw/zinc/01/05/89/501010589.db2.gz WMTMIVRVVYSIMJ-UHFFFAOYSA-N -2 0 365.389 3.056 20 0 FGADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000435718676 501016569 /nfs/dbraw/zinc/01/65/69/501016569.db2.gz YGEIVJWZULNTBS-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000436603456 501167425 /nfs/dbraw/zinc/16/74/25/501167425.db2.gz GZPPIBUCDWVORM-UHFFFAOYSA-N -2 0 366.439 3.212 20 0 FGADRL CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436875693 501225582 /nfs/dbraw/zinc/22/55/82/501225582.db2.gz YKMKACLAQAMBSL-UHFFFAOYSA-N -2 0 367.448 3.230 20 0 FGADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2sccc2F)cc1)C(=O)[O-] ZINC000451035228 501240981 /nfs/dbraw/zinc/24/09/81/501240981.db2.gz FIKKTPWVVKOZPC-NSHDSACASA-N -2 0 357.428 3.341 20 0 FGADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471115280 501924925 /nfs/dbraw/zinc/92/49/25/501924925.db2.gz IQXUNEOCPUVIOU-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)cc(C(=O)[O-])c1C ZINC000471119171 501926341 /nfs/dbraw/zinc/92/63/41/501926341.db2.gz PIBSCYJQUNUKBD-UHFFFAOYSA-N -2 0 369.826 3.470 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)c(Cl)c1 ZINC000464549054 502024436 /nfs/dbraw/zinc/02/44/36/502024436.db2.gz YFNRNSOQDZEHOB-UHFFFAOYSA-N -2 0 367.810 3.164 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc([C@@H](C)CC)nc1 ZINC000478681700 502056577 /nfs/dbraw/zinc/05/65/77/502056577.db2.gz YQQWZTRKAIGMNZ-NSHDSACASA-N -2 0 363.439 3.052 20 0 FGADRL Cc1cc(C(=O)Nc2cccc(OCC(C)C)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468602645 502120832 /nfs/dbraw/zinc/12/08/32/502120832.db2.gz YSZSOEKKIWXGTA-UHFFFAOYSA-N -2 0 368.393 3.032 20 0 FGADRL CCSCc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000469744971 502530249 /nfs/dbraw/zinc/53/02/49/502530249.db2.gz NWANXXVKCLJHEU-UHFFFAOYSA-N -2 0 370.434 3.250 20 0 FGADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000476592586 502536748 /nfs/dbraw/zinc/53/67/48/502536748.db2.gz DWXARTLOBKPCAR-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000484226119 502602660 /nfs/dbraw/zinc/60/26/60/502602660.db2.gz ZVSZKVHZNWZIIZ-UHFFFAOYSA-N -2 0 371.361 3.251 20 0 FGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc2cccnc21 ZINC000507009613 503211855 /nfs/dbraw/zinc/21/18/55/503211855.db2.gz XFPXTWYTZJNEML-UHFFFAOYSA-N -2 0 372.402 3.051 20 0 FGADRL CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000511244147 503286543 /nfs/dbraw/zinc/28/65/43/503286543.db2.gz SAYGJNZXIZGJLH-UHFFFAOYSA-N -3 0 363.391 3.007 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)ccc1C(=O)[O-] ZINC000507987760 503409726 /nfs/dbraw/zinc/40/97/26/503409726.db2.gz UTBWCRHMTBXQRY-UHFFFAOYSA-N -2 0 363.435 3.497 20 0 FGADRL CSc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512738472 503623406 /nfs/dbraw/zinc/62/34/06/503623406.db2.gz MRHLQCWWKKUQFY-UHFFFAOYSA-N -2 0 355.412 3.355 20 0 FGADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512777078 503629525 /nfs/dbraw/zinc/62/95/25/503629525.db2.gz ZBXFOOBLJBCBNG-UHFFFAOYSA-N -2 0 353.371 3.032 20 0 FGADRL CSCc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1 ZINC000512790305 503631769 /nfs/dbraw/zinc/63/17/69/503631769.db2.gz KFFPTYTVXUWBPI-UHFFFAOYSA-N -2 0 369.439 3.496 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])s1 ZINC000537154350 503820123 /nfs/dbraw/zinc/82/01/23/503820123.db2.gz HVSXCXCANUYLHA-UHFFFAOYSA-N -2 0 366.464 3.156 20 0 FGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000534401021 504131370 /nfs/dbraw/zinc/13/13/70/504131370.db2.gz YRHSWBTULQMSKS-UHFFFAOYSA-N -2 0 359.400 3.012 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000530957397 504142096 /nfs/dbraw/zinc/14/20/96/504142096.db2.gz NOOUVURZYGMABW-UHFFFAOYSA-N -2 0 371.361 3.349 20 0 FGADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(C(=O)[O-])c1 ZINC000547913125 504262008 /nfs/dbraw/zinc/26/20/08/504262008.db2.gz YMJSGVUPJUGLKS-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000538496494 504263725 /nfs/dbraw/zinc/26/37/25/504263725.db2.gz MHYLNSZFKZSIOJ-UHFFFAOYSA-N -2 0 361.419 3.078 20 0 FGADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-] ZINC000548211119 504369412 /nfs/dbraw/zinc/36/94/12/504369412.db2.gz JQZJNRIXWAADQW-UHFFFAOYSA-N -2 0 371.846 3.233 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cs1 ZINC000519945406 504388551 /nfs/dbraw/zinc/38/85/51/504388551.db2.gz LOWQIGXCMVQCRS-UHFFFAOYSA-N -2 0 367.448 3.174 20 0 FGADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000542232456 504415968 /nfs/dbraw/zinc/41/59/68/504415968.db2.gz RKGZOPZKELLKQQ-UHFFFAOYSA-N -2 0 363.439 3.196 20 0 FGADRL CC(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000548525826 504477792 /nfs/dbraw/zinc/47/77/92/504477792.db2.gz OKHCSCXOVHKOHU-UHFFFAOYSA-N -2 0 363.391 3.007 20 0 FGADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000548537559 504478957 /nfs/dbraw/zinc/47/89/57/504478957.db2.gz BTCHSSDLZKLNTG-UHFFFAOYSA-N -2 0 359.325 3.220 20 0 FGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000548536127 504479298 /nfs/dbraw/zinc/47/92/98/504479298.db2.gz WLFGFHARLPSJSB-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CCc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(C(=O)[O-])c1 ZINC000542935695 504664962 /nfs/dbraw/zinc/66/49/62/504664962.db2.gz SUMAGSZZJWHCLI-UHFFFAOYSA-N -2 0 372.402 3.403 20 0 FGADRL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000532630052 504717773 /nfs/dbraw/zinc/71/77/73/504717773.db2.gz MTJGWARRJGTMRB-UHFFFAOYSA-N -2 0 364.810 3.331 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc(C(=O)[O-])c1C ZINC000536412154 504726683 /nfs/dbraw/zinc/72/66/83/504726683.db2.gz DMEZBDHCDSXQPI-UHFFFAOYSA-N -2 0 374.340 3.216 20 0 FGADRL CC(C)c1ncsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000566719565 505253912 /nfs/dbraw/zinc/25/39/12/505253912.db2.gz KNWCBKRKHAJAGB-UHFFFAOYSA-N -2 0 366.464 3.254 20 0 FGADRL Cc1oc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1C(=O)[O-] ZINC000564653888 505483515 /nfs/dbraw/zinc/48/35/15/505483515.db2.gz TXSICEPBNPVYMK-MRXNPFEDSA-N -2 0 367.398 3.245 20 0 FGADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000324482683 597314782 /nfs/dbraw/zinc/31/47/82/597314782.db2.gz HFVIVLBFFHEVRJ-UHFFFAOYSA-N -2 0 359.325 3.133 20 0 FGADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)nc21 ZINC000738579821 599802232 /nfs/dbraw/zinc/80/22/32/599802232.db2.gz VRKHSWCNSAHKQW-UHFFFAOYSA-N -2 0 352.393 3.005 20 0 FGADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)nc21 ZINC000738578279 600054636 /nfs/dbraw/zinc/05/46/36/600054636.db2.gz CAWLCVZWYWVYOA-UHFFFAOYSA-N -2 0 368.461 3.474 20 0 FGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)sc2C1 ZINC000736941582 600054813 /nfs/dbraw/zinc/05/48/13/600054813.db2.gz YRLUROJCYYOLBM-SNVBAGLBSA-N -2 0 366.464 3.157 20 0 FGADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnn1C1CCCC1 ZINC000740140238 600054855 /nfs/dbraw/zinc/05/48/55/600054855.db2.gz GSVZVNXDVWQWMA-UHFFFAOYSA-N -2 0 369.830 3.151 20 0 FGADRL O=C([O-])c1cccc(Cc2cnc([N-]S(=O)(=O)c3ccccc3)s2)c1 ZINC000740227389 600056234 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FGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000484955328 502787052 /nfs/dbraw/zinc/78/70/52/502787052.db2.gz GGYPUPMATZHFGR-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL CCc1cccc(S(=O)(=O)[N-]c2cc(CCC(=O)[O-])ccc2OC)c1 ZINC000484959898 502787211 /nfs/dbraw/zinc/78/72/11/502787211.db2.gz HKTOHSVZMWAMNV-UHFFFAOYSA-N -2 0 363.435 3.076 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1F ZINC000484974797 502790595 /nfs/dbraw/zinc/79/05/95/502790595.db2.gz QBCOBKDAADYIPM-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000484981768 502791683 /nfs/dbraw/zinc/79/16/83/502791683.db2.gz URYSNLQCVMVLKK-UHFFFAOYSA-N -2 0 371.361 3.251 20 0 FGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000484996647 502796132 /nfs/dbraw/zinc/79/61/32/502796132.db2.gz ONMNDEKIIAJAJK-UHFFFAOYSA-N -2 0 371.361 3.253 20 0 FGADRL CC(C)n1ncc2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc21 ZINC000509603499 502945676 /nfs/dbraw/zinc/94/56/76/502945676.db2.gz RERSVOLSYLFOHQ-UHFFFAOYSA-N -2 0 365.436 3.178 20 0 FGADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000506994115 503207522 /nfs/dbraw/zinc/20/75/22/503207522.db2.gz CPJMVNGOPQQMPB-UHFFFAOYSA-N -2 0 370.814 3.021 20 0 FGADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC000504525147 503584145 /nfs/dbraw/zinc/58/41/45/503584145.db2.gz VJDRQIXUPKSYSJ-UHFFFAOYSA-N -2 0 367.326 3.146 20 0 FGADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1)C(=O)[O-] ZINC000504666092 503602878 /nfs/dbraw/zinc/60/28/78/503602878.db2.gz OINPVLGQZJQAOU-VIFPVBQESA-N -2 0 373.402 3.331 20 0 FGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000509074219 503635916 /nfs/dbraw/zinc/63/59/16/503635916.db2.gz HVIIADUZAZHLKL-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1C ZINC000537194949 503836568 /nfs/dbraw/zinc/83/65/68/503836568.db2.gz RLQIMTWFOKDFFR-MRVPVSSYSA-N -2 0 357.457 3.031 20 0 FGADRL Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)cc1C(=O)[O-] ZINC000517805091 503841818 /nfs/dbraw/zinc/84/18/18/503841818.db2.gz FQDZLRIOLBCQOE-UHFFFAOYSA-N -2 0 373.430 3.477 20 0 FGADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1C ZINC000538298006 504196463 /nfs/dbraw/zinc/19/64/63/504196463.db2.gz CNWKXAOITUQZSH-VIFPVBQESA-N -2 0 369.418 3.109 20 0 FGADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000547870720 504254692 /nfs/dbraw/zinc/25/46/92/504254692.db2.gz IPLYMODIOCTDQS-UHFFFAOYSA-N -2 0 365.455 3.197 20 0 FGADRL CCc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1Cl ZINC000553234098 504858628 /nfs/dbraw/zinc/85/86/28/504858628.db2.gz WILPVOXXXOKBNQ-UHFFFAOYSA-N -2 0 358.785 3.213 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000559907718 504948377 /nfs/dbraw/zinc/94/83/77/504948377.db2.gz GVKRSNQYNLQWBN-NSHDSACASA-N -2 0 365.354 3.028 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)cs1 ZINC000566075637 505073091 /nfs/dbraw/zinc/07/30/91/505073091.db2.gz FHIIRFOVTCVQBB-UHFFFAOYSA-N -2 0 365.432 3.156 20 0 FGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000551469651 505233500 /nfs/dbraw/zinc/23/35/00/505233500.db2.gz FKDGHXBVVRDVQV-UHFFFAOYSA-N -2 0 361.753 3.046 20 0 FGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)c1C ZINC000564973157 505564636 /nfs/dbraw/zinc/56/46/36/505564636.db2.gz UKFBDOFXKUUHSN-SECBINFHSA-N -2 0 369.418 3.109 20 0 FGADRL O=C(N=c1[n-]nc(-c2ccccc2)s1)c1nn(-c2ccccc2)cc1[O-] ZINC000505142935 515456690 /nfs/dbraw/zinc/45/66/90/515456690.db2.gz UAOULLCSHDDUIU-UHFFFAOYSA-N -2 0 363.402 3.349 20 0 FGADRL CC(C)Cc1n[n-]c(=NC(=O)c2nn(-c3ccccc3F)cc2[O-])s1 ZINC000517798292 562098318 /nfs/dbraw/zinc/09/83/18/562098318.db2.gz IDYGJVAGTMGLHY-UHFFFAOYSA-N -2 0 361.402 3.019 20 0 FGADRL O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cccc(Cl)c3[O-])ccc12 ZINC000436478151 568278220 /nfs/dbraw/zinc/27/82/20/568278220.db2.gz PBPRVTXTWHXKBV-UHFFFAOYSA-N -2 0 366.782 3.026 20 0 FGADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000053200400 597311820 /nfs/dbraw/zinc/31/18/20/597311820.db2.gz NNBOYPJALVXNFO-UHFFFAOYSA-N -2 0 366.247 3.483 20 0 FGADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000737051201 599966203 /nfs/dbraw/zinc/96/62/03/599966203.db2.gz RDGULGQVNIKFSY-UHFFFAOYSA-N -2 0 373.434 3.254 20 0 FGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)sc2C1 ZINC000736941673 600054798 /nfs/dbraw/zinc/05/47/98/600054798.db2.gz ZEXQZZIIYITDMO-QMMMGPOBSA-N -2 0 372.493 3.219 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c1C(=O)[O-] ZINC000738744007 600055381 /nfs/dbraw/zinc/05/53/81/600055381.db2.gz HMEZBLBTAGLXLN-CYBMUJFWSA-N -2 0 365.455 3.298 20 0 FGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000738606777 600489137 /nfs/dbraw/zinc/48/91/37/600489137.db2.gz NTRHKFBVYJQGFH-UHFFFAOYSA-N -2 0 367.398 3.179 20 0 FGADRL CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000736990934 600576634 /nfs/dbraw/zinc/57/66/34/600576634.db2.gz ZTVMBFSPJKSZPK-UHFFFAOYSA-N -2 0 364.423 3.150 20 0 FGADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccsc1 ZINC000833312138 600686196 /nfs/dbraw/zinc/68/61/96/600686196.db2.gz KIPFXRKDAWCVFD-UHFFFAOYSA-N -2 0 351.327 3.266 20 0 FGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000831946661 601204371 /nfs/dbraw/zinc/20/43/71/601204371.db2.gz WLAZDYOZAFRDII-UHFFFAOYSA-N -2 0 363.363 3.193 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1C ZINC000327317254 601320469 /nfs/dbraw/zinc/32/04/69/601320469.db2.gz YFDQQLDAZZFXEO-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000048382747 601324002 /nfs/dbraw/zinc/32/40/02/601324002.db2.gz MGMWHBWEKOVBHN-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c1C ZINC000832866625 601329447 /nfs/dbraw/zinc/32/94/47/601329447.db2.gz OILDXXDUDAGSKV-UHFFFAOYSA-N -2 0 363.439 3.114 20 0 FGADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)no1 ZINC000830224632 601363581 /nfs/dbraw/zinc/36/35/81/601363581.db2.gz SVWZCBTXPFOYGP-UHFFFAOYSA-N -2 0 365.194 3.043 20 0 FGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c1 ZINC000673981799 601474815 /nfs/dbraw/zinc/47/48/15/601474815.db2.gz NJCRVBXEOZHBDC-UHFFFAOYSA-N -2 0 372.402 3.051 20 0 FGADRL CCCCCc1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)s1 ZINC000829373431 601502410 /nfs/dbraw/zinc/50/24/10/601502410.db2.gz WJALSIPHCHPSQF-UHFFFAOYSA-N -2 0 369.468 3.078 20 0 FGADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000833343573 602116383 /nfs/dbraw/zinc/11/63/83/602116383.db2.gz IOZLSQWAVRZARZ-UHFFFAOYSA-N -2 0 368.255 3.071 20 0 FGADRL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cs3)cc(Cl)c2O1 ZINC000828516579 602117317 /nfs/dbraw/zinc/11/73/17/602117317.db2.gz NRSOTASFPANXBP-SSDOTTSWSA-N -2 0 373.839 3.224 20 0 FGADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000833346598 602156627 /nfs/dbraw/zinc/15/66/27/602156627.db2.gz LSWCVFXTWQLHIN-UHFFFAOYSA-N -2 0 360.416 3.309 20 0 FGADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000739445279 602654271 /nfs/dbraw/zinc/65/42/71/602654271.db2.gz QKFRZJUIIAZXII-UHFFFAOYSA-N -2 0 370.377 3.266 20 0 FGADRL CN(C[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1)C(=O)[O-] ZINC000739637635 602685089 /nfs/dbraw/zinc/68/50/89/602685089.db2.gz LRUQWWMYECEZIY-SECBINFHSA-N -2 0 361.225 3.161 20 0 FGADRL C[C@H](NC(=O)[O-])c1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000825418841 603395542 /nfs/dbraw/zinc/39/55/42/603395542.db2.gz YBZHLWUIAJNDNY-LRDDRELGSA-N -2 0 356.378 3.212 20 0 FGADRL O=C([O-])NC[C@@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000832534043 603750194 /nfs/dbraw/zinc/75/01/94/603750194.db2.gz RPWUDFDHRGBTDL-NSHDSACASA-N -2 0 362.813 3.319 20 0 FGADRL CCN(c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1)C(C)C ZINC000392991490 604498861 /nfs/dbraw/zinc/49/88/61/604498861.db2.gz ZQWPPEVCACHEMA-UHFFFAOYSA-N -2 0 366.439 3.322 20 0 FGADRL Cc1cccc2sc([N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)nc21 ZINC000833752865 605011463 /nfs/dbraw/zinc/01/14/63/605011463.db2.gz CCZRGBXYAQPUJX-UHFFFAOYSA-N -2 0 362.432 3.245 20 0 FGADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000833741510 605127627 /nfs/dbraw/zinc/12/76/27/605127627.db2.gz PWUQFJAYAKQDRX-UHFFFAOYSA-N -2 0 354.434 3.165 20 0 FGADRL CC(C)COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1Cl ZINC000833490388 605184499 /nfs/dbraw/zinc/18/44/99/605184499.db2.gz DFMMJCQUCXVJDS-UHFFFAOYSA-N -2 0 373.814 3.467 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c(C(=O)[O-])c1 ZINC000833750829 605188336 /nfs/dbraw/zinc/18/83/36/605188336.db2.gz BOXAVWACXFAJLK-UHFFFAOYSA-N -2 0 361.419 3.283 20 0 FGADRL O=C([O-])Nc1ccc(C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)c(Cl)c1 ZINC000834258579 606050733 /nfs/dbraw/zinc/05/07/33/606050733.db2.gz YQDYWHRNGFNZEM-GOSISDBHSA-N -2 0 374.780 3.086 20 0 FGADRL O=C([O-])C[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000833773690 606068763 /nfs/dbraw/zinc/06/87/63/606068763.db2.gz YREHKAVDIUTFGO-CQSZACIVSA-N -2 0 362.769 3.376 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c1Cl ZINC000156312038 705110915 /nfs/dbraw/zinc/11/09/15/705110915.db2.gz VVUJYSFPNHDHEV-UHFFFAOYSA-N -2 0 371.846 3.099 20 0 FGADRL CCc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c(C(=O)[O-])c1 ZINC000523727776 714249390 /nfs/dbraw/zinc/24/93/90/714249390.db2.gz LQECUPFQSKNLKR-UHFFFAOYSA-N -2 0 365.455 3.142 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000679183834 722009943 /nfs/dbraw/zinc/00/99/43/722009943.db2.gz UMFWNARMQSHYJS-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL CC(C)OCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000745978311 722592043 /nfs/dbraw/zinc/59/20/43/722592043.db2.gz QXJMZAWQHAUAIW-UHFFFAOYSA-N -2 0 367.398 3.250 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1Cl ZINC000768287502 723652773 /nfs/dbraw/zinc/65/27/73/723652773.db2.gz WDUCWRFXYWORGN-UHFFFAOYSA-N -2 0 367.810 3.178 20 0 FGADRL CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000769892329 723699361 /nfs/dbraw/zinc/69/93/61/723699361.db2.gz GLCRSVQXORYSQT-UHFFFAOYSA-N -2 0 373.402 3.494 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000775295205 723978875 /nfs/dbraw/zinc/97/88/75/723978875.db2.gz JKKLAPNFIWOPND-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000778566191 724345682 /nfs/dbraw/zinc/34/56/82/724345682.db2.gz HBLJPRBCVNBMIZ-UHFFFAOYSA-N -2 0 371.361 3.251 20 0 FGADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC000821192860 729067078 /nfs/dbraw/zinc/06/70/78/729067078.db2.gz YDFRVSUIDQGYOU-NSHDSACASA-N -2 0 370.254 3.173 20 0 FGADRL Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1cnn(C(F)(F)F)c1 ZINC000901100642 743223532 /nfs/dbraw/zinc/22/35/32/743223532.db2.gz SJBXYRDNNWLJEP-UHFFFAOYSA-N -2 0 356.300 3.368 20 0 FGADRL O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2ccc([O-])c(Cl)c2)n1 ZINC000910108015 744418136 /nfs/dbraw/zinc/41/81/36/744418136.db2.gz DYBSKIFILUYIGA-NSHDSACASA-N -2 0 352.799 3.178 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1 ZINC000078869378 208203994 /nfs/dbraw/zinc/20/39/94/208203994.db2.gz RUNDAEBBMYXDMJ-UHFFFAOYSA-N -2 0 351.399 3.297 20 0 FGADRL COCCc1cccc(-c2cccc(-n3[n-]c(C)c(CC(=O)[O-])c3=O)c2)c1 ZINC000577077433 505659362 /nfs/dbraw/zinc/65/93/62/505659362.db2.gz KFSBOYOLXXETEM-LJQANCHMSA-N -2 0 366.417 3.356 20 0 FGADRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000071081009 494086800 /nfs/dbraw/zinc/08/68/00/494086800.db2.gz QGGILDHENQLLLI-UHFFFAOYSA-N -2 0 371.201 3.364 20 0 FGADRL CC(C)OCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000063849246 494093477 /nfs/dbraw/zinc/09/34/77/494093477.db2.gz JXSUAXKEONGFSQ-UHFFFAOYSA-N -2 0 355.437 3.172 20 0 FGADRL Cc1cc2cc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)ccc2[nH]1 ZINC000156288883 496207062 /nfs/dbraw/zinc/20/70/62/496207062.db2.gz GPJHJEDKNGIMGY-UHFFFAOYSA-N -2 0 362.382 3.423 20 0 FGADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1)C(=O)[O-] ZINC000184899884 496576564 /nfs/dbraw/zinc/57/65/64/496576564.db2.gz QAYUEGWLBFWSNB-GFCCVEGCSA-N -2 0 369.389 3.419 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1Cl ZINC000185212147 496704537 /nfs/dbraw/zinc/70/45/37/496704537.db2.gz HDDNHSTXUGEZII-UHFFFAOYSA-N -2 0 368.773 3.459 20 0 FGADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000270444327 497129642 /nfs/dbraw/zinc/12/96/42/497129642.db2.gz SJYSIJHAOLBFEL-UHFFFAOYSA-N -2 0 358.803 3.006 20 0 FGADRL C[C@H](N=c1ccc(N2CCC(C(C)(C)C(=O)[O-])CC2)n[nH]1)c1ccccc1 ZINC000581133950 505917207 /nfs/dbraw/zinc/91/72/07/505917207.db2.gz IFZNAYAXPGZASU-HNNXBMFYSA-N -2 0 368.481 3.399 20 0 FGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1O ZINC000317759895 498793519 /nfs/dbraw/zinc/79/35/19/498793519.db2.gz RCUSZNNTIKRWSG-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000327554044 498859862 /nfs/dbraw/zinc/85/98/62/498859862.db2.gz XPMCDQGJKGPYMH-UHFFFAOYSA-N -2 0 371.361 3.349 20 0 FGADRL Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n1 ZINC000373111804 499451993 /nfs/dbraw/zinc/45/19/93/499451993.db2.gz WXNPOYHKQNQLDL-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1 ZINC000386152569 499548633 /nfs/dbraw/zinc/54/86/33/499548633.db2.gz JCCHLYFRBBUFLH-UHFFFAOYSA-N -2 0 363.416 3.166 20 0 FGADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000433620611 500722435 /nfs/dbraw/zinc/72/24/35/500722435.db2.gz ZCFCGWZBUSYFKB-UHFFFAOYSA-N -2 0 367.810 3.432 20 0 FGADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000436655472 501180779 /nfs/dbraw/zinc/18/07/79/501180779.db2.gz IRANUWKNFJBOJX-UHFFFAOYSA-N -2 0 372.402 3.056 20 0 FGADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000447110253 501205701 /nfs/dbraw/zinc/20/57/01/501205701.db2.gz ZNFXKJJIHWJSPD-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1 ZINC000436912001 501231240 /nfs/dbraw/zinc/23/12/40/501231240.db2.gz VTIQFRHIAPWYEY-UHFFFAOYSA-N -2 0 372.402 3.195 20 0 FGADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3cccc(Cl)c3[O-])cccc21 ZINC000451042511 501241403 /nfs/dbraw/zinc/24/14/03/501241403.db2.gz MICMPBKICOOVGT-CYBMUJFWSA-N -2 0 369.826 3.316 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000474390873 501818247 /nfs/dbraw/zinc/81/82/47/501818247.db2.gz RDMKVGGHBCTEDM-UHFFFAOYSA-N -2 0 371.361 3.138 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c(C)c1C(=O)[O-] ZINC000471995659 502194341 /nfs/dbraw/zinc/19/43/41/502194341.db2.gz OJAZHMKPLORXIT-UHFFFAOYSA-N -2 0 373.789 3.301 20 0 FGADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479275532 502212425 /nfs/dbraw/zinc/21/24/25/502212425.db2.gz WASGGICWXXURHH-UHFFFAOYSA-N -2 0 370.814 3.321 20 0 FGADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479367971 502237912 /nfs/dbraw/zinc/23/79/12/502237912.db2.gz XVGNGOSALNJVEV-UHFFFAOYSA-N -2 0 358.803 3.006 20 0 FGADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1F ZINC000479562785 502298328 /nfs/dbraw/zinc/29/83/28/502298328.db2.gz ZRLPPQBUVBOKDO-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000476591044 502536426 /nfs/dbraw/zinc/53/64/26/502536426.db2.gz ACQGNDGXBYTYEP-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000484043628 502556178 /nfs/dbraw/zinc/55/61/78/502556178.db2.gz ONYSONJQXPBESC-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000484956724 502787217 /nfs/dbraw/zinc/78/72/17/502787217.db2.gz JPVQKUVMXDJGKX-UHFFFAOYSA-N -2 0 369.826 3.167 20 0 FGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000484965315 502788406 /nfs/dbraw/zinc/78/84/06/502788406.db2.gz BFHYTMCMNHZYMJ-UHFFFAOYSA-N -2 0 363.435 3.130 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1F ZINC000512728015 503621355 /nfs/dbraw/zinc/62/13/55/503621355.db2.gz CBJPWEWNRKNSJE-UHFFFAOYSA-N -2 0 371.361 3.171 20 0 FGADRL CSCc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000533120266 503737871 /nfs/dbraw/zinc/73/78/71/503737871.db2.gz DCGPDAJATFDTET-UHFFFAOYSA-N -2 0 369.439 3.496 20 0 FGADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1C ZINC000540497572 503793935 /nfs/dbraw/zinc/79/39/35/503793935.db2.gz WLYQARKGDDMFNE-JTQLQIEISA-N -2 0 369.418 3.109 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c(C)s1 ZINC000517662055 503801049 /nfs/dbraw/zinc/80/10/49/503801049.db2.gz IQFDSPGUODJQEE-UHFFFAOYSA-N -2 0 350.421 3.345 20 0 FGADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000537164316 503823587 /nfs/dbraw/zinc/82/35/87/503823587.db2.gz SDRZUIZGMGDCKO-UHFFFAOYSA-N -2 0 362.451 3.192 20 0 FGADRL CCOC(=O)c1cnc(/C=C/c2cc(C(=O)[O-])c(C)cc2C)c(C(=O)[O-])c1 ZINC000530475600 503979669 /nfs/dbraw/zinc/97/96/69/503979669.db2.gz MQOJBHZBZGWAEU-AATRIKPKSA-N -2 0 369.373 3.442 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000547544180 504145820 /nfs/dbraw/zinc/14/58/20/504145820.db2.gz FDIRPMMSVBWANA-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1F ZINC000547609258 504155670 /nfs/dbraw/zinc/15/56/70/504155670.db2.gz QQLIJWUSPGNMMW-UHFFFAOYSA-N -2 0 363.288 3.050 20 0 FGADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(F)cc3C(=O)[O-])c2n1 ZINC000531008704 504160865 /nfs/dbraw/zinc/16/08/65/504160865.db2.gz NWWBSKTVXPCAKH-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1C ZINC000531019104 504163422 /nfs/dbraw/zinc/16/34/22/504163422.db2.gz BWKNVNXXDIWIMI-UHFFFAOYSA-N -2 0 371.418 3.193 20 0 FGADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000519217523 504167348 /nfs/dbraw/zinc/16/73/48/504167348.db2.gz MLQVEYHCIOAUMJ-UHFFFAOYSA-N -2 0 361.828 3.218 20 0 FGADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc(C)c3C(=O)[O-])c2n1 ZINC000531486127 504325279 /nfs/dbraw/zinc/32/52/79/504325279.db2.gz BYZYPXZJVGKLPJ-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000548535637 504479179 /nfs/dbraw/zinc/47/91/79/504479179.db2.gz RAPWXIQFROGHHH-UHFFFAOYSA-N -2 0 362.432 3.412 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c(F)c1 ZINC000542858723 504637603 /nfs/dbraw/zinc/63/76/03/504637603.db2.gz ORORJRRMQJCAKK-UHFFFAOYSA-N -2 0 351.399 3.342 20 0 FGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](CC(=O)[O-])C3)n2)cc1 ZINC000532693905 504738010 /nfs/dbraw/zinc/73/80/10/504738010.db2.gz GFKOCZVLANRFEY-CQSZACIVSA-N -2 0 371.437 3.028 20 0 FGADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000536493503 504747831 /nfs/dbraw/zinc/74/78/31/504747831.db2.gz VDYZFSWAIZKPTI-UHFFFAOYSA-N -2 0 372.855 3.481 20 0 FGADRL C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cc(Cl)ccc1F ZINC000565056700 504784072 /nfs/dbraw/zinc/78/40/72/504784072.db2.gz ZFDSNKXCLNQCOC-UWVGGRQHSA-N -2 0 351.827 3.037 20 0 FGADRL CCc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000554531915 505199572 /nfs/dbraw/zinc/19/95/72/505199572.db2.gz ZBCZVBRGEKXJMA-UHFFFAOYSA-N -2 0 374.340 3.162 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)ccc1C(=O)[O-] ZINC000552028513 505374653 /nfs/dbraw/zinc/37/46/53/505374653.db2.gz AYVHZNSVTVMZPV-UHFFFAOYSA-N -2 0 361.419 3.208 20 0 FGADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncsc1C(C)C ZINC000561699618 505412939 /nfs/dbraw/zinc/41/29/39/505412939.db2.gz QRCKSXNALRFCHD-UHFFFAOYSA-N -2 0 358.416 3.213 20 0 FGADRL O=S(=O)(Nc1cccc(O)c1F)c1ccc(OC(F)F)c(F)c1 ZINC000567321264 505426675 /nfs/dbraw/zinc/42/66/75/505426675.db2.gz AWFUHWGBCPKZFD-UHFFFAOYSA-N -2 0 351.277 3.073 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000594855882 507296812 /nfs/dbraw/zinc/29/68/12/507296812.db2.gz YZWPNLAUJDIYFZ-UHFFFAOYSA-N -2 0 363.435 3.497 20 0 FGADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000614737806 507640623 /nfs/dbraw/zinc/64/06/23/507640623.db2.gz QEWUCUJZBJOMDL-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000818778515 597043143 /nfs/dbraw/zinc/04/31/43/597043143.db2.gz RGCNABZMNFGALB-UHFFFAOYSA-N -2 0 363.366 3.308 20 0 FGADRL C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC(C)(C)C1 ZINC000736754258 599727708 /nfs/dbraw/zinc/72/77/08/599727708.db2.gz BXGNVAUWHWLTEM-GHMZBOCLSA-N -2 0 373.496 3.104 20 0 FGADRL Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000020593449 599736921 /nfs/dbraw/zinc/73/69/21/599736921.db2.gz BBNUBFYBFWOPKG-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL CCC1=C(C(=O)[O-])[C@H](c2cccc(C)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932261 599988341 /nfs/dbraw/zinc/98/83/41/599988341.db2.gz OSGCFDQAMFBYDD-SFHVURJKSA-N -2 0 374.437 3.455 20 0 FGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)sc2C1 ZINC000736941672 600054836 /nfs/dbraw/zinc/05/48/36/600054836.db2.gz ZEXQZZIIYITDMO-MRVPVSSYSA-N -2 0 372.493 3.219 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)cc1 ZINC000738690209 600055284 /nfs/dbraw/zinc/05/52/84/600055284.db2.gz SQKTXTMMEPBIOM-UHFFFAOYSA-N -2 0 368.823 3.449 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)c1 ZINC000740271805 600056268 /nfs/dbraw/zinc/05/62/68/600056268.db2.gz PMHDPZXGZPYMLS-UHFFFAOYSA-N -2 0 372.493 3.363 20 0 FGADRL CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000324890641 600105131 /nfs/dbraw/zinc/10/51/31/600105131.db2.gz SGRLNBGSKVRWJF-UHFFFAOYSA-N -2 0 372.805 3.044 20 0 FGADRL CN(Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1)C(=O)[O-] ZINC000737485893 600299448 /nfs/dbraw/zinc/29/94/48/600299448.db2.gz KLFJOGUZEOHDLS-UHFFFAOYSA-N -2 0 372.805 3.390 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1OC(F)F ZINC000738636007 600493059 /nfs/dbraw/zinc/49/30/59/600493059.db2.gz MCTVKEZOFITHQR-UHFFFAOYSA-N -2 0 363.363 3.157 20 0 FGADRL Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000325367973 600637140 /nfs/dbraw/zinc/63/71/40/600637140.db2.gz BKEQHLFAMXBGQS-UHFFFAOYSA-N -2 0 370.770 3.056 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c1C(=O)[O-] ZINC000832972910 600986167 /nfs/dbraw/zinc/98/61/67/600986167.db2.gz PIISSERTIMZFHU-UHFFFAOYSA-N -2 0 354.453 3.248 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)cc1C(=O)[O-] ZINC000832898167 601230413 /nfs/dbraw/zinc/23/04/13/601230413.db2.gz DIDFFTCFMZVKII-UHFFFAOYSA-N -2 0 360.391 3.252 20 0 FGADRL CC(C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000827134354 601383427 /nfs/dbraw/zinc/38/34/27/601383427.db2.gz TWPIKRMVXPOJJU-UHFFFAOYSA-N -2 0 354.815 3.357 20 0 FGADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000751215228 601485824 /nfs/dbraw/zinc/48/58/24/601485824.db2.gz VRYOOAGYIUDDBI-UHFFFAOYSA-N -2 0 373.789 3.246 20 0 FGADRL CC(C)CCOc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000826860937 601485866 /nfs/dbraw/zinc/48/58/66/601485866.db2.gz KNJQGJNZKVDCSV-UHFFFAOYSA-N -2 0 370.452 3.067 20 0 FGADRL Cn1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1C(=O)[O-] ZINC000833053416 601783937 /nfs/dbraw/zinc/78/39/37/601783937.db2.gz TUXAZQNOXYTZBQ-UHFFFAOYSA-N -2 0 356.403 3.191 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)ccc1Cl ZINC000833303995 601829601 /nfs/dbraw/zinc/82/96/01/601829601.db2.gz FUVZJDAWGWMMGF-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000833293781 601847643 /nfs/dbraw/zinc/84/76/43/601847643.db2.gz IKEGQEJLFFCQCB-UHFFFAOYSA-N -2 0 367.402 3.026 20 0 FGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832004190 601854711 /nfs/dbraw/zinc/85/47/11/601854711.db2.gz JCRZPSKZYVRNAY-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])c2n1 ZINC000832961964 601861561 /nfs/dbraw/zinc/86/15/61/601861561.db2.gz KUVRVACVIKQJHW-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n[nH]1 ZINC000829217109 601862071 /nfs/dbraw/zinc/86/20/71/601862071.db2.gz ZHFZKOKZMBJNSW-SNVBAGLBSA-N -2 0 351.428 3.121 20 0 FGADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000833343953 602117202 /nfs/dbraw/zinc/11/72/02/602117202.db2.gz ULPWGQVLSJHNRG-UHFFFAOYSA-N -2 0 367.326 3.146 20 0 FGADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000122518993 602118384 /nfs/dbraw/zinc/11/83/84/602118384.db2.gz BKZUHAGPZQLHCG-UHFFFAOYSA-N -2 0 368.480 3.457 20 0 FGADRL O=C([O-])N1CCCc2cc(NC(=O)c3cc(=O)c4ccccc4[n-]3)ccc21 ZINC000740465510 602507140 /nfs/dbraw/zinc/50/71/40/602507140.db2.gz RDMQDIVOAJPYQP-UHFFFAOYSA-N -2 0 363.373 3.211 20 0 FGADRL CN(Cc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000739714530 602654438 /nfs/dbraw/zinc/65/44/38/602654438.db2.gz IMEXVPILKYPZPQ-UHFFFAOYSA-N -2 0 372.805 3.390 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2cccc(CN(C)C(=O)[O-])c2)s1 ZINC000739543085 602655115 /nfs/dbraw/zinc/65/51/15/602655115.db2.gz WCLITJCHYMSLBE-UHFFFAOYSA-N -2 0 354.453 3.221 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)c(C)c1 ZINC000833750956 604760118 /nfs/dbraw/zinc/76/01/18/604760118.db2.gz JGEGEMLIPCMRQJ-UHFFFAOYSA-N -2 0 352.437 3.136 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c1C(=O)[O-] ZINC000832972961 604800804 /nfs/dbraw/zinc/80/08/04/604800804.db2.gz RPUDGZFUFGKVGO-UHFFFAOYSA-N -2 0 374.390 3.204 20 0 FGADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000743249539 604990919 /nfs/dbraw/zinc/99/09/19/604990919.db2.gz GNPDGWQDHUYMPB-UHFFFAOYSA-N -2 0 353.783 3.042 20 0 FGADRL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)s1 ZINC000833511623 605134425 /nfs/dbraw/zinc/13/44/25/605134425.db2.gz ZVBVDANRJJTTGY-UHFFFAOYSA-N -2 0 366.464 3.184 20 0 FGADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833660763 605185559 /nfs/dbraw/zinc/18/55/59/605185559.db2.gz SOVQNZUQKXKBRV-UHFFFAOYSA-N -2 0 353.371 3.032 20 0 FGADRL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1 ZINC000833467230 605302090 /nfs/dbraw/zinc/30/20/90/605302090.db2.gz UEZBDUAXFOAUKI-UHFFFAOYSA-N -2 0 353.421 3.086 20 0 FGADRL O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000834058758 605307033 /nfs/dbraw/zinc/30/70/33/605307033.db2.gz CYZGWVYZHSVVKG-SNVBAGLBSA-N -2 0 354.790 3.147 20 0 FGADRL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nc2c(cccc2C(=O)[O-])[nH]1 ZINC000833744553 605785227 /nfs/dbraw/zinc/78/52/27/605785227.db2.gz ICOXETYHTFBOEK-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL CC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCCCCC1 ZINC000833553647 605907016 /nfs/dbraw/zinc/90/70/16/605907016.db2.gz XCQVVHWSSWCUEN-UHFFFAOYSA-N -2 0 373.858 3.204 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-][N-]C(=O)c2cc3ccccc3o2)c1Cl ZINC000180002769 705723983 /nfs/dbraw/zinc/72/39/83/705723983.db2.gz GNGINKZJUPJHQD-UHFFFAOYSA-N -2 0 364.810 3.018 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnc1Cl ZINC000318069042 713808254 /nfs/dbraw/zinc/80/82/54/713808254.db2.gz FIAFDGAAGIRWGF-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1F ZINC000322197908 713813141 /nfs/dbraw/zinc/81/31/41/713813141.db2.gz RQTRZKCIFRRNAG-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c1 ZINC000327636592 713823588 /nfs/dbraw/zinc/82/35/88/713823588.db2.gz RRLAOPWOOKJBLP-GFCCVEGCSA-N -2 0 366.439 3.184 20 0 FGADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)[O-] ZINC000387305501 713986045 /nfs/dbraw/zinc/98/60/45/713986045.db2.gz OEEYTPGIPHTNFU-UHFFFAOYSA-N -2 0 363.222 3.314 20 0 FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2cccc3cccnc32)c(C(=O)[O-])c1 ZINC000523792590 714253335 /nfs/dbraw/zinc/25/33/35/714253335.db2.gz FTFSUJKWYLSKMO-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000525523925 714358353 /nfs/dbraw/zinc/35/83/53/714358353.db2.gz YQBLDQIORGRNPD-UHFFFAOYSA-N -2 0 355.437 3.424 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000671663347 721604818 /nfs/dbraw/zinc/60/48/18/721604818.db2.gz CDOLUHMAQNGRQA-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c2ncccc21 ZINC000681562591 722211255 /nfs/dbraw/zinc/21/12/55/722211255.db2.gz YEZWFMOMCBNYQQ-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C)c1 ZINC000745977906 722592062 /nfs/dbraw/zinc/59/20/62/722592062.db2.gz GBZLUXNCCWPTCA-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc3ccccc3c(C(=O)[O-])c2)cn1 ZINC000751546439 722812860 /nfs/dbraw/zinc/81/28/60/722812860.db2.gz LTHLXDKGDHKEHR-UHFFFAOYSA-N -2 0 359.407 3.116 20 0 FGADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000756938687 722972158 /nfs/dbraw/zinc/97/21/58/722972158.db2.gz KPGTUOLGLLQZEC-VIFPVBQESA-N -2 0 371.361 3.171 20 0 FGADRL COc1ccccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759091481 722999335 /nfs/dbraw/zinc/99/93/35/722999335.db2.gz NZHYHZIDRPHUAW-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)nc2Cl)c(C(=O)[O-])c1 ZINC000776434096 724144928 /nfs/dbraw/zinc/14/49/28/724144928.db2.gz PAHIQBICZYVULY-UHFFFAOYSA-N -2 0 354.815 3.159 20 0 FGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)s1 ZINC000776742528 724177743 /nfs/dbraw/zinc/17/77/43/724177743.db2.gz USDDIKNJEBQRJH-UHFFFAOYSA-N -2 0 372.443 3.351 20 0 FGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC000776742193 724177815 /nfs/dbraw/zinc/17/78/15/724177815.db2.gz RZZGVUBWXHKTQQ-UHFFFAOYSA-N -2 0 358.416 3.042 20 0 FGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000800837471 724234228 /nfs/dbraw/zinc/23/42/28/724234228.db2.gz YUMAYFICOVGPHL-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)c2n1 ZINC000066235510 494293042 /nfs/dbraw/zinc/29/30/42/494293042.db2.gz OUFQGJGRJSTXLZ-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000580384606 505746337 /nfs/dbraw/zinc/74/63/37/505746337.db2.gz POUUNRMUTVWMBY-UHFFFAOYSA-N -2 0 374.340 3.216 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000580786309 505838355 /nfs/dbraw/zinc/83/83/55/505838355.db2.gz VNEKKBNMHPOPLS-UHFFFAOYSA-N -2 0 363.435 3.373 20 0 FGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1)C(=O)[O-] ZINC000184654864 496480605 /nfs/dbraw/zinc/48/06/05/496480605.db2.gz GPUBRJOLIHRUJY-VIFPVBQESA-N -2 0 373.352 3.168 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1F ZINC000184655734 496482390 /nfs/dbraw/zinc/48/23/90/496482390.db2.gz PENBLMDLDWEDRR-LLVKDONJSA-N -2 0 369.389 3.337 20 0 FGADRL CC(C)c1nc(/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)ncc1C(=O)[O-] ZINC000265836962 497191082 /nfs/dbraw/zinc/19/10/82/497191082.db2.gz ZHUCMDLUNBKAKA-ABZNLYFFSA-N -2 0 356.378 3.321 20 0 FGADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000575416491 505974464 /nfs/dbraw/zinc/97/44/64/505974464.db2.gz RHHPMEUFGACZGN-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000572487613 505981331 /nfs/dbraw/zinc/98/13/31/505981331.db2.gz MEFUSNDBXPWGCA-DTWKUNHWSA-N -2 0 369.817 3.176 20 0 FGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000321434695 498812212 /nfs/dbraw/zinc/81/22/12/498812212.db2.gz UZFOQMYAHSUVRO-UHFFFAOYSA-N -2 0 355.437 3.344 20 0 FGADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000326568218 498845510 /nfs/dbraw/zinc/84/55/10/498845510.db2.gz ADYGBGIMJZBWTK-UHFFFAOYSA-N -2 0 363.435 3.212 20 0 FGADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000327273339 498854447 /nfs/dbraw/zinc/85/44/47/498854447.db2.gz DSTADYFJLFHJHA-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL O=C([O-])CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000582304280 506181836 /nfs/dbraw/zinc/18/18/36/506181836.db2.gz HMOWATMCKZQDNQ-ZWNOBZJWSA-N -2 0 363.838 3.181 20 0 FGADRL O=C([O-])CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000582304277 506182119 /nfs/dbraw/zinc/18/21/19/506182119.db2.gz HMOWATMCKZQDNQ-GWCFXTLKSA-N -2 0 363.838 3.181 20 0 FGADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1 ZINC000436998778 500590212 /nfs/dbraw/zinc/59/02/12/500590212.db2.gz ZBLVOIGZOSJZOG-UHFFFAOYSA-N -2 0 369.398 3.143 20 0 FGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC000446634477 501146017 /nfs/dbraw/zinc/14/60/17/501146017.db2.gz MCFKORWYHAFLKM-UHFFFAOYSA-N -2 0 373.427 3.389 20 0 FGADRL COc1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(Cl)cc1C(=O)[O-] ZINC000485265986 501773834 /nfs/dbraw/zinc/77/38/34/501773834.db2.gz CKDIORRNWPXSPT-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000467744765 501858226 /nfs/dbraw/zinc/85/82/26/501858226.db2.gz BIXDPROARRKHFU-UHFFFAOYSA-N -2 0 357.359 3.013 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1 ZINC000467746644 501858356 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C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1)C(=O)[O-] ZINC000634791138 717116140 /nfs/dbraw/zinc/11/61/40/717116140.db2.gz MJQRCNQUBQETBQ-VIFPVBQESA-N -2 0 359.350 3.281 20 0 FGADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000685902459 722407498 /nfs/dbraw/zinc/40/74/98/722407498.db2.gz SQCYGMPBTWTFDO-UHFFFAOYSA-N -2 0 374.340 3.216 20 0 FGADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(Cl)nc3)c1)CCCC2 ZINC000731468079 722475537 /nfs/dbraw/zinc/47/55/37/722475537.db2.gz KJXBKNPPZFAKRW-UHFFFAOYSA-N -2 0 366.826 3.113 20 0 FGADRL CCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000753776612 722912743 /nfs/dbraw/zinc/91/27/43/722912743.db2.gz XYMVOCCKYPUTPV-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL CSCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000753778893 722912946 /nfs/dbraw/zinc/91/29/46/722912946.db2.gz QSJYMQSCVZNYHP-UHFFFAOYSA-N -2 0 369.439 3.496 20 0 FGADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759090634 722999353 /nfs/dbraw/zinc/99/93/53/722999353.db2.gz KFHRDSHSBYVYEF-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1O ZINC000762455955 723244551 /nfs/dbraw/zinc/24/45/51/723244551.db2.gz OZBIZCNCTVRANE-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000768283329 723652680 /nfs/dbraw/zinc/65/26/80/723652680.db2.gz OZROBLQUMPKSCX-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000775297803 723979624 /nfs/dbraw/zinc/97/96/24/723979624.db2.gz WXQGKYBTPMWRJP-UHFFFAOYSA-N -2 0 361.828 3.218 20 0 FGADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000806633514 725138435 /nfs/dbraw/zinc/13/84/35/725138435.db2.gz TXSLYDRTTLQQRF-UHFFFAOYSA-N -2 0 368.842 3.252 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc3cccnc32)cc1F ZINC000821106727 729058430 /nfs/dbraw/zinc/05/84/30/729058430.db2.gz NPTUVOHAPJBWDZ-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL N#Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000052471925 494029085 /nfs/dbraw/zinc/02/90/85/494029085.db2.gz HCXOZSXHYGINTC-UHFFFAOYSA-N -2 0 370.308 3.076 20 0 FGADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)s1 ZINC000088545564 494247617 /nfs/dbraw/zinc/24/76/17/494247617.db2.gz YBIGVWMAYKYCNP-UHFFFAOYSA-N -2 0 360.844 3.221 20 0 FGADRL Cc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2s1 ZINC000013302625 494284482 /nfs/dbraw/zinc/28/44/82/494284482.db2.gz MXBSPMHRSBXEFI-UHFFFAOYSA-N -2 0 354.434 3.165 20 0 FGADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000126778100 494837083 /nfs/dbraw/zinc/83/70/83/494837083.db2.gz LVGNOXNCRWEDPS-UHFFFAOYSA-N -2 0 364.423 3.483 20 0 FGADRL CCc1ccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC000152968286 496310582 /nfs/dbraw/zinc/31/05/82/496310582.db2.gz NJZRFPDHFNDEMF-UHFFFAOYSA-N -2 0 359.325 3.165 20 0 FGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000181772943 496538241 /nfs/dbraw/zinc/53/82/41/496538241.db2.gz VVSMRVWZZZUJJU-SNVBAGLBSA-N -2 0 355.362 3.344 20 0 FGADRL Cc1c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c2ccccc2n1C ZINC000578055981 505851315 /nfs/dbraw/zinc/85/13/15/505851315.db2.gz JPXPEJFQPJOWOC-UHFFFAOYSA-N -2 0 358.419 3.294 20 0 FGADRL CC(C)c1nc(/C=C/c2cccc(OCCC(=O)[O-])c2)ncc1C(=O)[O-] ZINC000265769265 497179043 /nfs/dbraw/zinc/17/90/43/497179043.db2.gz JILORTPJMODDKH-VOTSOKGWSA-N -2 0 356.378 3.322 20 0 FGADRL Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1C1CCCC1 ZINC000194225043 497606451 /nfs/dbraw/zinc/60/64/51/497606451.db2.gz HBTPFSVYTOIULD-UHFFFAOYSA-N -2 0 363.439 3.114 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)sc1C(=O)[O-] ZINC000190853501 497622416 /nfs/dbraw/zinc/62/24/16/497622416.db2.gz UFIZWYOCCIUZII-UHFFFAOYSA-N -2 0 350.421 3.047 20 0 FGADRL O=C([O-])c1c[nH]c2cc(NS(=O)(=O)C[C@@H]3CCCC3(F)F)ccc12 ZINC000296969044 498270005 /nfs/dbraw/zinc/27/00/05/498270005.db2.gz ONMADUMOVZTGKB-VIFPVBQESA-N -2 0 358.366 3.043 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)C)cc1 ZINC000575874888 506023986 /nfs/dbraw/zinc/02/39/86/506023986.db2.gz XNWJGRJGMFJTHJ-UHFFFAOYSA-N -2 0 367.448 3.394 20 0 FGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000320778378 498809213 /nfs/dbraw/zinc/80/92/13/498809213.db2.gz GGXPPHQNTHKHGI-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000320781253 498809655 /nfs/dbraw/zinc/80/96/55/498809655.db2.gz GVCRUPHIXQXVPP-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c(C(=O)[O-])c1 ZINC000389388092 499552528 /nfs/dbraw/zinc/55/25/28/499552528.db2.gz DDBDKTMWXZGZKH-UHFFFAOYSA-N -2 0 361.828 3.218 20 0 FGADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000391944927 499557586 /nfs/dbraw/zinc/55/75/86/499557586.db2.gz CJYJZQYVINQAML-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000410397781 499660117 /nfs/dbraw/zinc/66/01/17/499660117.db2.gz GUHDYNMFKCZNBN-UHFFFAOYSA-N -2 0 374.187 3.087 20 0 FGADRL O=C([O-])CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1sccc1Cl ZINC000570412789 506162057 /nfs/dbraw/zinc/16/20/57/506162057.db2.gz RBGNPLXQFDKLDP-GXSJLCMTSA-N -2 0 351.877 3.103 20 0 FGADRL O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)C[C@H]1CCCC1(F)F ZINC000573420674 506190687 /nfs/dbraw/zinc/19/06/87/506190687.db2.gz CLOQDPCSKUZNDR-MRVPVSSYSA-N -2 0 353.774 3.215 20 0 FGADRL COc1cc([N-]S(=O)(=O)c2cccc(C)c2Cl)ccc1C(=O)[O-] ZINC000432775018 500561234 /nfs/dbraw/zinc/56/12/34/500561234.db2.gz GGYVPZVXONICCG-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL COc1cccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)c1OC(C)C ZINC000443456311 500727095 /nfs/dbraw/zinc/72/70/95/500727095.db2.gz UDPMRSQCMOORTH-NTMALXAHSA-N -2 0 372.421 3.474 20 0 FGADRL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000436684425 501187959 /nfs/dbraw/zinc/18/79/59/501187959.db2.gz ACNNRBIBVCQGRF-UHFFFAOYSA-N -2 0 365.176 3.442 20 0 FGADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2OC)cc1)C(=O)[O-] ZINC000463780315 501819422 /nfs/dbraw/zinc/81/94/22/501819422.db2.gz XTIHLLXHGRKESS-AWEZNQCLSA-N -2 0 363.435 3.149 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc(C(=O)[O-])c1C ZINC000471115544 501925360 /nfs/dbraw/zinc/92/53/60/501925360.db2.gz IUKKKFYLORVAKJ-UHFFFAOYSA-N -2 0 371.418 3.193 20 0 FGADRL CC[C@H](C)Oc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000468113715 501960738 /nfs/dbraw/zinc/96/07/38/501960738.db2.gz QVRNCVOHQJTCII-NSHDSACASA-N -2 0 368.393 3.174 20 0 FGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000468355980 502034754 /nfs/dbraw/zinc/03/47/54/502034754.db2.gz JXXWZZCRXKISMA-UHFFFAOYSA-N -2 0 367.398 3.457 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1F ZINC000461341071 502076481 /nfs/dbraw/zinc/07/64/81/502076481.db2.gz FBPFOVSRFIETFT-UHFFFAOYSA-N -2 0 369.317 3.405 20 0 FGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000479234868 502201028 /nfs/dbraw/zinc/20/10/28/502201028.db2.gz BUOMYUVMJURLJP-UHFFFAOYSA-N -2 0 351.428 3.086 20 0 FGADRL CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1O ZINC000479555365 502295924 /nfs/dbraw/zinc/29/59/24/502295924.db2.gz OITVGONUVIZDSV-UHFFFAOYSA-N -2 0 367.398 3.328 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000462098996 502306325 /nfs/dbraw/zinc/30/63/25/502306325.db2.gz DPDAXGGPDBYYRY-UHFFFAOYSA-N -2 0 367.398 3.340 20 0 FGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1C ZINC000480191012 502495466 /nfs/dbraw/zinc/49/54/66/502495466.db2.gz BQMNIWDTZAXUGT-LLVKDONJSA-N -2 0 365.455 3.278 20 0 FGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1C ZINC000480201035 502500125 /nfs/dbraw/zinc/50/01/25/502500125.db2.gz TZSDRNGMXCEYAV-LLVKDONJSA-N -2 0 365.455 3.278 20 0 FGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cnn1C(CC)CC ZINC000480252442 502514394 /nfs/dbraw/zinc/51/43/94/502514394.db2.gz UYSOKQKMUYCYFY-UHFFFAOYSA-N -2 0 369.443 3.207 20 0 FGADRL Cc1cccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1C(=O)[O-] ZINC000477342167 502747842 /nfs/dbraw/zinc/74/78/42/502747842.db2.gz QPJIXUGVJCZOPO-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000484954154 502786050 /nfs/dbraw/zinc/78/60/50/502786050.db2.gz DMXGVEOSYLSWNV-UHFFFAOYSA-N -2 0 371.361 3.171 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2cc(CCC(=O)[O-])ccc2OC)s1 ZINC000484988137 502793293 /nfs/dbraw/zinc/79/32/93/502793293.db2.gz QBTZRFNNMXVINP-UHFFFAOYSA-N -2 0 369.464 3.137 20 0 FGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000505122772 502855197 /nfs/dbraw/zinc/85/51/97/502855197.db2.gz DDUDSHKSOPETEM-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)s1 ZINC000504681525 503605070 /nfs/dbraw/zinc/60/50/70/503605070.db2.gz ZONHAZGFWSSJLU-SECBINFHSA-N -2 0 372.493 3.072 20 0 FGADRL CSc1ccc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504686716 503605075 /nfs/dbraw/zinc/60/50/75/503605075.db2.gz JBKHHTZFLBMMSM-UHFFFAOYSA-N -2 0 367.448 3.063 20 0 FGADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000504703900 503606643 /nfs/dbraw/zinc/60/66/43/503606643.db2.gz RDCCXKGNEIOWOP-VIFPVBQESA-N -2 0 373.477 3.123 20 0 FGADRL O=C([O-])c1ccccc1OCc1nc(=O)c2c([nH]1)sc1c2CCSC1 ZINC000517994358 503883791 /nfs/dbraw/zinc/88/37/91/503883791.db2.gz CQGGPUQNCSFYJA-UHFFFAOYSA-N -2 0 374.443 3.463 20 0 FGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1OC(C)(C)C2 ZINC000530540444 504002975 /nfs/dbraw/zinc/00/29/75/504002975.db2.gz NJEYOIRCOFHTTM-UHFFFAOYSA-N -2 0 361.419 3.208 20 0 FGADRL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000544726471 504236523 /nfs/dbraw/zinc/23/65/23/504236523.db2.gz UXEZUYOPLSNHGN-UHFFFAOYSA-N -2 0 369.439 3.496 20 0 FGADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000547875075 504255794 /nfs/dbraw/zinc/25/57/94/504255794.db2.gz ULUVCOABDKTKNZ-UHFFFAOYSA-N -2 0 359.325 3.220 20 0 FGADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c(C(=O)[O-])c1 ZINC000548560743 504482017 /nfs/dbraw/zinc/48/20/17/504482017.db2.gz OMEQNLJRMAMDAI-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL Cc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC000520617227 504541555 /nfs/dbraw/zinc/54/15/55/504541555.db2.gz SCBYZWZCFVCDSZ-UHFFFAOYSA-N -2 0 363.222 3.139 20 0 FGADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000539397517 504556804 /nfs/dbraw/zinc/55/68/04/504556804.db2.gz DTOIBULJRLQWAI-VIFPVBQESA-N -2 0 371.846 3.315 20 0 FGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000539550875 504604066 /nfs/dbraw/zinc/60/40/66/504604066.db2.gz LPBFNXNPGJINID-UHFFFAOYSA-N -2 0 359.787 3.057 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc(C(=O)[O-])c1C ZINC000532364734 504623548 /nfs/dbraw/zinc/62/35/48/504623548.db2.gz LGAXAHRGKTZBPX-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1 ZINC000562330219 504785905 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Cc1nc(C)c([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)s1 ZINC000272751776 497720312 /nfs/dbraw/zinc/72/03/12/497720312.db2.gz MFKJIUAPNKAODL-UHFFFAOYSA-N -2 0 368.480 3.113 20 0 FGADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000281245522 498071313 /nfs/dbraw/zinc/07/13/13/498071313.db2.gz VLGLQCCHNJJUOC-UHFFFAOYSA-N -2 0 365.455 3.166 20 0 FGADRL CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000575412863 505974148 /nfs/dbraw/zinc/97/41/48/505974148.db2.gz NCDCYHFALUKOBA-UHFFFAOYSA-N -2 0 355.412 3.188 20 0 FGADRL O=C([O-])c1ccc(NS(=O)(=O)C[C@@H]2CCCCC2(F)F)c(F)c1 ZINC000296941279 498259913 /nfs/dbraw/zinc/25/99/13/498259913.db2.gz MGLPUTGUHJGJGR-JTQLQIEISA-N -2 0 351.346 3.091 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1 ZINC000319935176 498804572 /nfs/dbraw/zinc/80/45/72/498804572.db2.gz DGKSJBJTGUTCFQ-UHFFFAOYSA-N -2 0 366.445 3.371 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000327277742 498853946 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CO[C@H]1CCOc2c([N-]S(=O)(=O)c3cccc(Cl)c3[O-])cccc21 ZINC000451042512 501241441 /nfs/dbraw/zinc/24/14/41/501241441.db2.gz MICMPBKICOOVGT-ZDUSSCGKSA-N -2 0 369.826 3.316 20 0 FGADRL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000467764163 501864755 /nfs/dbraw/zinc/86/47/55/501864755.db2.gz ZKPUIHDKOFRUKQ-SNVBAGLBSA-N -2 0 353.396 3.264 20 0 FGADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479266823 502211092 /nfs/dbraw/zinc/21/10/92/502211092.db2.gz ONUUXPZYNTVAGN-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1 ZINC000479272841 502212283 /nfs/dbraw/zinc/21/22/83/502212283.db2.gz DROFLMIMMGYBDK-UHFFFAOYSA-N -2 0 369.826 3.415 20 0 FGADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1O ZINC000462106179 502309966 /nfs/dbraw/zinc/30/99/66/502309966.db2.gz XEMAWOYQLCEMLE-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1C(CC)CC ZINC000480242592 502511176 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Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)cc1C(=O)[O-] ZINC000508008444 503412552 /nfs/dbraw/zinc/41/25/52/503412552.db2.gz FAHGSAPQDURMRO-UHFFFAOYSA-N -2 0 371.361 3.404 20 0 FGADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccsc2)c1 ZINC000504592435 503593323 /nfs/dbraw/zinc/59/33/23/503593323.db2.gz LWIWYWVZLLMNHG-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1Cl ZINC000512784989 503630856 /nfs/dbraw/zinc/63/08/56/503630856.db2.gz AJRPUWCEFRSLBN-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CSc1ccc(C)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000537246897 503856993 /nfs/dbraw/zinc/85/69/93/503856993.db2.gz IEKLQVLBPZMZOD-UHFFFAOYSA-N -2 0 356.407 3.027 20 0 FGADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1Cl ZINC000543951282 503948946 /nfs/dbraw/zinc/94/89/46/503948946.db2.gz UPKFAOSUTOFJHQ-UHFFFAOYSA-N -2 0 371.773 3.181 20 0 FGADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000541304840 504082011 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O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000740140857 600052281 /nfs/dbraw/zinc/05/22/81/600052281.db2.gz QDIXGVOSYOOOBT-UHFFFAOYSA-N -2 0 368.823 3.449 20 0 FGADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736404280 600054854 /nfs/dbraw/zinc/05/48/54/600054854.db2.gz YVLIDNPGVAFMII-JTQLQIEISA-N -2 0 357.457 3.051 20 0 FGADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000736494595 600098677 /nfs/dbraw/zinc/09/86/77/600098677.db2.gz OJEYBKKKROOKLK-UHFFFAOYSA-N -2 0 353.371 3.112 20 0 FGADRL O=C([O-])COc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000739842341 600100766 /nfs/dbraw/zinc/10/07/66/600100766.db2.gz HMGSWMNQTIIETD-UHFFFAOYSA-N -2 0 356.161 3.415 20 0 FGADRL CCN(c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1)C(C)C ZINC000324038224 600102967 /nfs/dbraw/zinc/10/29/67/600102967.db2.gz QMAHRYLYWPHFMG-UHFFFAOYSA-N -2 0 352.412 3.013 20 0 FGADRL O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000739754441 600108416 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CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000511297243 503295292 /nfs/dbraw/zinc/29/52/92/503295292.db2.gz SWRBQGAITZIRLZ-UHFFFAOYSA-N -2 0 363.391 3.007 20 0 FGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000504665802 503602691 /nfs/dbraw/zinc/60/26/91/503602691.db2.gz LTFHFCVTNHYUFR-SNVBAGLBSA-N -2 0 357.478 3.423 20 0 FGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000512767331 503628459 /nfs/dbraw/zinc/62/84/59/503628459.db2.gz QDMXVYLUNLYHAO-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL CC(C)OCc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000517096162 503667685 /nfs/dbraw/zinc/66/76/85/503667685.db2.gz MXSHVUXZPBIRNH-UHFFFAOYSA-N -2 0 355.437 3.172 20 0 FGADRL COc1ccc(O)c(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c1 ZINC000537197459 503837848 /nfs/dbraw/zinc/83/78/48/503837848.db2.gz HHEMYBHBNIRKFH-UHFFFAOYSA-N -2 0 365.407 3.023 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000543652088 503842262 /nfs/dbraw/zinc/84/22/62/503842262.db2.gz MUCTVXYGBFEHBN-LLVKDONJSA-N -2 0 353.465 3.375 20 0 FGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000533691994 503924229 /nfs/dbraw/zinc/92/42/29/503924229.db2.gz UEOIBXJYWAXJPH-UHFFFAOYSA-N -2 0 367.398 3.457 20 0 FGADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000547631739 504162343 /nfs/dbraw/zinc/16/23/43/504162343.db2.gz YDGZALZWDHHVAH-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc(C(=O)[O-])c1C ZINC000538498811 504263230 /nfs/dbraw/zinc/26/32/30/504263230.db2.gz YZXMGGOEDRVPDU-UHFFFAOYSA-N -2 0 372.402 3.457 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc2cccnc21 ZINC000535067491 504333280 /nfs/dbraw/zinc/33/32/80/504333280.db2.gz JTDXLPXTOFJBLV-UHFFFAOYSA-N -2 0 362.432 3.412 20 0 FGADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000548208318 504368092 /nfs/dbraw/zinc/36/80/92/504368092.db2.gz UXDJPKYWVZHQKQ-UHFFFAOYSA-N -2 0 369.418 3.027 20 0 FGADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000548263909 504377820 /nfs/dbraw/zinc/37/78/20/504377820.db2.gz XFOLJOLZSDXICC-GXSJLCMTSA-N -2 0 353.362 3.032 20 0 FGADRL COc1ccnc2c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)cccc12 ZINC000535766435 504537590 /nfs/dbraw/zinc/53/75/90/504537590.db2.gz FTLMVNKSHGKSSX-UHFFFAOYSA-N -2 0 372.402 3.051 20 0 FGADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000546074437 504699457 /nfs/dbraw/zinc/69/94/57/504699457.db2.gz ZDCIBQDALWHYKS-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)s1 ZINC000564970567 505564809 /nfs/dbraw/zinc/56/48/09/505564809.db2.gz LIRIZIDFXORBPN-UHFFFAOYSA-N -2 0 372.443 3.351 20 0 FGADRL O=C(N=c1[n-]nc(Cc2ccccc2)s1)c1cc(-c2cccs2)[nH]n1 ZINC000612182403 506475900 /nfs/dbraw/zinc/47/59/00/506475900.db2.gz SPBSFUDLJWSWFG-UHFFFAOYSA-N -2 0 367.459 3.255 20 0 FGADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000583904401 507039749 /nfs/dbraw/zinc/03/97/49/507039749.db2.gz UIEBIVYSSIVJKB-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000591681745 507330571 /nfs/dbraw/zinc/33/05/71/507330571.db2.gz JTRFUQMZAYGJLU-UHFFFAOYSA-N -2 0 354.434 3.165 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)o1 ZINC000325116392 599735724 /nfs/dbraw/zinc/73/57/24/599735724.db2.gz NOBRHNJFHIEWII-UHFFFAOYSA-N -2 0 351.380 3.100 20 0 FGADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)oc1C ZINC000738828967 599739139 /nfs/dbraw/zinc/73/91/39/599739139.db2.gz HRNMSCMAMQFTCD-UHFFFAOYSA-N -2 0 362.363 3.050 20 0 FGADRL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736983029 599792660 /nfs/dbraw/zinc/79/26/60/599792660.db2.gz DWYKORZLANGANC-NSHDSACASA-N -2 0 361.485 3.248 20 0 FGADRL CC1=C(C(=O)[O-])[C@@H](c2ccsc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736750691 599992841 /nfs/dbraw/zinc/99/28/41/599992841.db2.gz MHVMFMMJVOTXMQ-OAHLLOKOSA-N -2 0 372.402 3.071 20 0 FGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000327097362 600051206 /nfs/dbraw/zinc/05/12/06/600051206.db2.gz OOBIJUROLJWKQM-UHFFFAOYSA-N -2 0 373.415 3.277 20 0 FGADRL Cc1nc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000738364598 600054594 /nfs/dbraw/zinc/05/45/94/600054594.db2.gz VANYSTIJFCMGPW-VOTSOKGWSA-N -2 0 358.828 3.216 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c1C(=O)[O-] ZINC000738747253 600055238 /nfs/dbraw/zinc/05/52/38/600055238.db2.gz PZIAYMPPINIQDM-UHFFFAOYSA-N -2 0 366.464 3.219 20 0 FGADRL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736982854 600271775 /nfs/dbraw/zinc/27/17/75/600271775.db2.gz DIQDVPNBKWNCAA-LLVKDONJSA-N -2 0 361.485 3.248 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c1 ZINC000740272525 600424715 /nfs/dbraw/zinc/42/47/15/600424715.db2.gz WWQZZMLSBPKOEX-UHFFFAOYSA-N -2 0 360.416 3.309 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000738347161 600472706 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CCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc21 ZINC000829585300 601233602 /nfs/dbraw/zinc/23/36/02/601233602.db2.gz MTEQKSNRWCZHNL-UHFFFAOYSA-N -2 0 362.407 3.452 20 0 FGADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000830254000 601251001 /nfs/dbraw/zinc/25/10/01/601251001.db2.gz QTEBBSCEWKAVEU-UHFFFAOYSA-N -2 0 355.799 3.107 20 0 FGADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000755262073 601327392 /nfs/dbraw/zinc/32/73/92/601327392.db2.gz VTCDARFRZYFNHB-UHFFFAOYSA-N -2 0 365.194 3.097 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c(C(=O)[O-])[nH]1 ZINC000832898458 601331884 /nfs/dbraw/zinc/33/18/84/601331884.db2.gz LACMBUHGKKXPSQ-UHFFFAOYSA-N -2 0 362.329 3.149 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c1C ZINC000320387650 601358592 /nfs/dbraw/zinc/35/85/92/601358592.db2.gz MCDMGXUUWGJKDY-UHFFFAOYSA-N -2 0 354.453 3.382 20 0 FGADRL Cc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000386170580 601359705 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FGADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000833343838 602118480 /nfs/dbraw/zinc/11/84/80/602118480.db2.gz RUMHXZHJBZBOQS-UHFFFAOYSA-N -2 0 351.327 3.266 20 0 FGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c1 ZINC000833318124 602308543 /nfs/dbraw/zinc/30/85/43/602308543.db2.gz GMXXKQBZNNUILP-UHFFFAOYSA-N -2 0 367.402 3.096 20 0 FGADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)c(Cl)c1 ZINC000740700440 602962204 /nfs/dbraw/zinc/96/22/04/602962204.db2.gz NNHWETMNGYETTN-UHFFFAOYSA-N -2 0 374.846 3.070 20 0 FGADRL O=C([O-])COc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1Cl ZINC000833257946 604941085 /nfs/dbraw/zinc/94/10/85/604941085.db2.gz DJIGXSWONABZMR-UHFFFAOYSA-N -2 0 356.161 3.415 20 0 FGADRL O=C([O-])N1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000833279628 604944042 /nfs/dbraw/zinc/94/40/42/604944042.db2.gz HBCDKXXAFVZANP-UHFFFAOYSA-N -2 0 360.797 3.148 20 0 FGADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1Cl ZINC000833506919 605185577 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CC(C)(CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)CCC(=O)[O-] ZINC000567739840 505553722 /nfs/dbraw/zinc/55/37/22/505553722.db2.gz CUXDNKOHDWTESM-UHFFFAOYSA-N -2 0 369.817 3.178 20 0 FGADRL C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC(C)(C)C1 ZINC000736755126 599729925 /nfs/dbraw/zinc/72/99/25/599729925.db2.gz KMAGBKNIFZEMOU-CHWSQXEVSA-N -2 0 367.467 3.042 20 0 FGADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)cs1 ZINC000738828921 599736320 /nfs/dbraw/zinc/73/63/20/599736320.db2.gz HFMUOUGAZSOCHV-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000739873484 599927373 /nfs/dbraw/zinc/92/73/73/599927373.db2.gz BLUKLWHYLWULRL-UHFFFAOYSA-N -2 0 373.402 3.083 20 0 FGADRL Cc1sc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c(C(=O)[O-])c1C ZINC000738397085 599941756 /nfs/dbraw/zinc/94/17/56/599941756.db2.gz BJQAZKDGMXMLLE-UHFFFAOYSA-N -2 0 373.430 3.262 20 0 FGADRL CC1=C(C(=O)[O-])[C@H](c2ccccc2Cl)NC(=O)N1CCCCC(=O)[O-] ZINC000736749416 599988980 /nfs/dbraw/zinc/98/89/80/599988980.db2.gz BOGGTYJJCMNGMD-HNNXBMFYSA-N -2 0 366.801 3.020 20 0 FGADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000736404161 600054759 /nfs/dbraw/zinc/05/47/59/600054759.db2.gz SVDCCCGBLSJFTO-NSHDSACASA-N -2 0 369.418 3.128 20 0 FGADRL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736403726 600054830 /nfs/dbraw/zinc/05/48/30/600054830.db2.gz IWRLTGAOMKNADC-SNVBAGLBSA-N -2 0 357.457 3.051 20 0 FGADRL Cc1nc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)sc1C(=O)[O-] ZINC000738363518 600054925 /nfs/dbraw/zinc/05/49/25/600054925.db2.gz JLGWJYWKPRFQMH-SREVYHEPSA-N -2 0 358.828 3.216 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c1C(=O)[O-] ZINC000738744686 600099642 /nfs/dbraw/zinc/09/96/42/600099642.db2.gz MTEISIRSMFUMOS-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc(Br)c1[O-])C2 ZINC000740200930 600104251 /nfs/dbraw/zinc/10/42/51/600104251.db2.gz OUKRQZGZXQWNMM-UHFFFAOYSA-N -2 0 362.179 3.009 20 0 FGADRL CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000736294280 600465225 /nfs/dbraw/zinc/46/52/25/600465225.db2.gz MRWPTRQEYSNTMR-ZJUUUORDSA-N -2 0 351.424 3.349 20 0 FGADRL CC(C)c1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)c(C(=O)[O-])c1 ZINC000736515890 600485162 /nfs/dbraw/zinc/48/51/62/600485162.db2.gz XMIKBTQYYNTJLX-UHFFFAOYSA-N -2 0 351.362 3.409 20 0 FGADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000740071777 600637948 /nfs/dbraw/zinc/63/79/48/600637948.db2.gz BQXUQPPVYYXGCJ-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL O=C([O-])C[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1cccc(Cl)c1 ZINC000833198892 600814265 /nfs/dbraw/zinc/81/42/65/600814265.db2.gz MKYHMXGXWIPZEV-LBPRGKRZSA-N -2 0 355.724 3.270 20 0 FGADRL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)nc21 ZINC000013349685 600827168 /nfs/dbraw/zinc/82/71/68/600827168.db2.gz IVLRBNSNLFUJTJ-UHFFFAOYSA-N -2 0 362.432 3.412 20 0 FGADRL O=C([O-])CC[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000833222793 600937083 /nfs/dbraw/zinc/93/70/83/600937083.db2.gz YXMXDHCABMXNEE-ZDUSSCGKSA-N -2 0 356.403 3.452 20 0 FGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000831946337 601150414 /nfs/dbraw/zinc/15/04/14/601150414.db2.gz UVHVAMLPBBFSDD-UHFFFAOYSA-N -2 0 363.416 3.409 20 0 FGADRL O=C([O-])c1ccc(OCCOC(=O)c2c(F)cc([O-])cc2F)c(Cl)c1 ZINC000833322277 601189518 /nfs/dbraw/zinc/18/95/18/601189518.db2.gz IQLVGYQHXJUCCB-UHFFFAOYSA-N -2 0 372.707 3.258 20 0 FGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(CSC)c1 ZINC000831945900 601204313 /nfs/dbraw/zinc/20/43/13/601204313.db2.gz LPMOAFSMRNXTQP-UHFFFAOYSA-N -2 0 373.477 3.119 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)cc1C(=O)[O-] ZINC000832952824 601232112 /nfs/dbraw/zinc/23/21/12/601232112.db2.gz CCSGMAPKVRRNKY-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nc3ccsc3s2)c1C ZINC000832866689 601361750 /nfs/dbraw/zinc/36/17/50/601361750.db2.gz TXSUFYDMOUSDDL-UHFFFAOYSA-N -2 0 368.461 3.474 20 0 FGADRL CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000827139213 601382585 /nfs/dbraw/zinc/38/25/85/601382585.db2.gz GHFRBZVZNOEOTK-UHFFFAOYSA-N -2 0 354.815 3.357 20 0 FGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000832852663 601576513 /nfs/dbraw/zinc/57/65/13/601576513.db2.gz FKLJVFHTYANXJG-UHFFFAOYSA-N -2 0 358.375 3.149 20 0 FGADRL Cc1ccc(O)c([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000832953542 601617306 /nfs/dbraw/zinc/61/73/06/601617306.db2.gz WJBVLLVMQAUKHI-UHFFFAOYSA-N -2 0 363.416 3.414 20 0 FGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)n1 ZINC000833229585 601771475 /nfs/dbraw/zinc/77/14/75/601771475.db2.gz KDYLXZVQBNRMCA-CMDGGOBGSA-N -2 0 370.427 3.102 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)ccc1Cl ZINC000833306019 601844263 /nfs/dbraw/zinc/84/42/63/601844263.db2.gz KAZMBNUNLNJDEU-UHFFFAOYSA-N -2 0 362.794 3.387 20 0 FGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000833294127 601847902 /nfs/dbraw/zinc/84/79/02/601847902.db2.gz FMFUKFUMBQIILZ-UHFFFAOYSA-N -2 0 365.169 3.027 20 0 FGADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n[nH]1 ZINC000829216700 602102162 /nfs/dbraw/zinc/10/21/62/602102162.db2.gz SCEQDXLLTRBSGW-LLVKDONJSA-N -2 0 351.428 3.121 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c(C(=O)[O-])[nH]1 ZINC000832899601 602114696 /nfs/dbraw/zinc/11/46/96/602114696.db2.gz OWSMWUUFIUVNCI-UHFFFAOYSA-N -2 0 352.343 3.016 20 0 FGADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c1 ZINC000740093595 602653003 /nfs/dbraw/zinc/65/30/03/602653003.db2.gz MFVVWOGTCBGJKX-UHFFFAOYSA-N -2 0 357.391 3.434 20 0 FGADRL CN(Cc1cccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1)C(=O)[O-] ZINC000739714977 603117893 /nfs/dbraw/zinc/11/78/93/603117893.db2.gz ZVSMBLMGIVSXBE-UHFFFAOYSA-N -2 0 357.391 3.479 20 0 FGADRL Cc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1NC(=O)[O-] ZINC000830182142 603279646 /nfs/dbraw/zinc/27/96/46/603279646.db2.gz RUAUXYPEJMBNDP-UHFFFAOYSA-N -2 0 372.406 3.067 20 0 FGADRL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000832080384 604015186 /nfs/dbraw/zinc/01/51/86/604015186.db2.gz VMNOMUQJENFNJI-UHFFFAOYSA-N -2 0 370.789 3.320 20 0 FGADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000833243818 604623308 /nfs/dbraw/zinc/62/33/08/604623308.db2.gz LRQIPIRCFMEDPP-UHFFFAOYSA-N -2 0 362.432 3.114 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)c1C(=O)[O-] ZINC000832972366 605013777 /nfs/dbraw/zinc/01/37/77/605013777.db2.gz ACDSMVMCEOSBRY-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000833430018 605137827 /nfs/dbraw/zinc/13/78/27/605137827.db2.gz DLHVOUWUXYBWKR-UHFFFAOYSA-N -2 0 368.480 3.160 20 0 FGADRL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000833430797 605138897 /nfs/dbraw/zinc/13/88/97/605138897.db2.gz VGMJEQPMDIXLJA-UHFFFAOYSA-N -2 0 354.453 3.231 20 0 FGADRL CC(C)(C)Cc1csc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC000833430212 605139226 /nfs/dbraw/zinc/13/92/26/605139226.db2.gz JRGSVTWSIMFSLV-UHFFFAOYSA-N -2 0 368.480 3.372 20 0 FGADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000126774120 700752538 /nfs/dbraw/zinc/75/25/38/700752538.db2.gz PGLZMPZUVHTQCD-UHFFFAOYSA-N -2 0 370.814 3.321 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1C(=O)[O-] ZINC000178954398 705682798 /nfs/dbraw/zinc/68/27/98/705682798.db2.gz KVVPZNYFNONJDB-UHFFFAOYSA-N -2 0 366.395 3.243 20 0 FGADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000187727142 712752824 /nfs/dbraw/zinc/75/28/24/712752824.db2.gz GJYKPXVVDCTQPM-VIFPVBQESA-N -2 0 369.830 3.007 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000195440720 713556436 /nfs/dbraw/zinc/55/64/36/713556436.db2.gz WHLBTIKCWHVBTM-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL CCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000324930119 713817025 /nfs/dbraw/zinc/81/70/25/713817025.db2.gz XFEYKDGKYRSUSC-UHFFFAOYSA-N -2 0 353.371 3.114 20 0 FGADRL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000326245528 713819020 /nfs/dbraw/zinc/81/90/20/713819020.db2.gz ZDCUFRYVMBXWFH-UHFFFAOYSA-N -2 0 369.826 3.028 20 0 FGADRL COc1c(C)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1C ZINC000328107138 713824451 /nfs/dbraw/zinc/82/44/51/713824451.db2.gz TVVKZABMAMQCNQ-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000479358711 714089751 /nfs/dbraw/zinc/08/97/51/714089751.db2.gz ABNHFWFUDOLLBJ-UHFFFAOYSA-N -2 0 371.846 3.099 20 0 FGADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000618761847 714774605 /nfs/dbraw/zinc/77/46/05/714774605.db2.gz KXQBOXORFUOLEH-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL COc1cc(C)c(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000656634047 719429761 /nfs/dbraw/zinc/42/97/61/719429761.db2.gz SUZGLLJLDRHMSQ-UHFFFAOYSA-N -2 0 355.437 3.181 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000674336272 721687795 /nfs/dbraw/zinc/68/77/95/721687795.db2.gz JOLNNMRHGUZYAE-UHFFFAOYSA-N -2 0 371.361 3.035 20 0 FGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753770488 722912254 /nfs/dbraw/zinc/91/22/54/722912254.db2.gz QKZGOEWZJXNZNQ-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1F ZINC000753774768 722912468 /nfs/dbraw/zinc/91/24/68/722912468.db2.gz GPZYJCAZKFOKSD-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)ccc1Cl ZINC000753960250 722920368 /nfs/dbraw/zinc/92/03/68/722920368.db2.gz DBPGKNMUUVIMJJ-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)s1 ZINC000776742403 724177716 /nfs/dbraw/zinc/17/77/16/724177716.db2.gz HWYCFSYVGMWNGH-UHFFFAOYSA-N -2 0 372.443 3.351 20 0 FGADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000825449002 729383810 /nfs/dbraw/zinc/38/38/10/729383810.db2.gz JHSMDDPHEPGRIV-SECBINFHSA-N -2 0 356.350 3.094 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2scnc2C(C)C)cc1C(=O)[O-] ZINC000830173292 729540866 /nfs/dbraw/zinc/54/08/66/729540866.db2.gz ZMTWEBDQSKJFTG-UHFFFAOYSA-N -2 0 358.416 3.213 20 0 FGADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(O)cc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000910242835 744433262 /nfs/dbraw/zinc/43/32/62/744433262.db2.gz XNHBTYBLSHPJFS-MJBXVCDLSA-N -2 0 357.328 3.126 20 0 FGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000013278856 494284289 /nfs/dbraw/zinc/28/42/89/494284289.db2.gz ZYKVBNJVFAJGSS-UHFFFAOYSA-N -2 0 359.375 3.186 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000580389913 505747220 /nfs/dbraw/zinc/74/72/20/505747220.db2.gz ZEEPABRBAUYRKX-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1Br ZINC000128177225 495056151 /nfs/dbraw/zinc/05/61/51/495056151.db2.gz YBFBTNNWNOVERD-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000172605416 496360453 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CCCCOc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000515699746 503387461 /nfs/dbraw/zinc/38/74/61/503387461.db2.gz XHRMQGXHMXJGCL-UHFFFAOYSA-N -2 0 355.437 3.426 20 0 FGADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1C ZINC000537194934 503837253 /nfs/dbraw/zinc/83/72/53/503837253.db2.gz QMHKWNDGZJKVRB-LLVKDONJSA-N -2 0 365.455 3.278 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000530716957 504062440 /nfs/dbraw/zinc/06/24/40/504062440.db2.gz HIOQBFHIVDVXAH-UHFFFAOYSA-N -2 0 369.826 3.410 20 0 FGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000547882238 504257189 /nfs/dbraw/zinc/25/71/89/504257189.db2.gz OLAOHZYGFWWXLU-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL COc1ccnc2c([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)cccc12 ZINC000535053125 504328070 /nfs/dbraw/zinc/32/80/70/504328070.db2.gz OJMOQAVKLBPMOP-UHFFFAOYSA-N -2 0 372.402 3.051 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)c(C)c1C(=O)[O-] ZINC000540038765 504764037 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Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1Oc1cccnc1 ZINC000738463163 599739065 /nfs/dbraw/zinc/73/90/65/599739065.db2.gz ASQFWZWRVHCPIQ-UHFFFAOYSA-N -2 0 374.374 3.274 20 0 FGADRL COc1ccc(C(=O)[O-])c(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000737930401 600018998 /nfs/dbraw/zinc/01/89/98/600018998.db2.gz COFOSDHGFQFZSJ-LJQANCHMSA-N -2 0 363.410 3.393 20 0 FGADRL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000736404160 600054834 /nfs/dbraw/zinc/05/48/34/600054834.db2.gz SVDCCCGBLSJFTO-LLVKDONJSA-N -2 0 369.418 3.128 20 0 FGADRL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736403986 600054846 /nfs/dbraw/zinc/05/48/46/600054846.db2.gz NHASUBHDNTUVSQ-LLVKDONJSA-N -2 0 369.418 3.128 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000013300031 600102960 /nfs/dbraw/zinc/10/29/60/600102960.db2.gz LREYLTOLVYTWOY-UHFFFAOYSA-N -2 0 366.464 3.237 20 0 FGADRL Cn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc21 ZINC000739040335 600243998 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O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cs1 ZINC000833304074 600982040 /nfs/dbraw/zinc/98/20/40/600982040.db2.gz PCTHYGGJQFAYLR-UHFFFAOYSA-N -2 0 360.416 3.309 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cs1 ZINC000833306368 600982066 /nfs/dbraw/zinc/98/20/66/600982066.db2.gz ZTSHCQDIKMOLSN-UHFFFAOYSA-N -2 0 360.416 3.309 20 0 FGADRL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000827139011 601361118 /nfs/dbraw/zinc/36/11/18/601361118.db2.gz BMAJVFTUOIOSFT-VMPITWQZSA-N -2 0 352.437 3.165 20 0 FGADRL CCc1oc(C(=O)[O-])cc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000830394563 601388336 /nfs/dbraw/zinc/38/83/36/601388336.db2.gz HGOGVJRRLRSNON-UHFFFAOYSA-N -2 0 364.423 3.210 20 0 FGADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000833345037 601840160 /nfs/dbraw/zinc/84/01/60/601840160.db2.gz OLGCVTJDLNBICY-UHFFFAOYSA-N -2 0 362.741 3.172 20 0 FGADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])s1 ZINC000828870113 601847747 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C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000825449473 603400359 /nfs/dbraw/zinc/40/03/59/603400359.db2.gz RBWMPOAZVQMFSS-GFCCVEGCSA-N -2 0 371.418 3.364 20 0 FGADRL CN(C[C@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1)C(=O)[O-] ZINC000828253646 603472223 /nfs/dbraw/zinc/47/22/23/603472223.db2.gz QAIAODZHNPTVNJ-LLVKDONJSA-N -2 0 362.813 3.271 20 0 FGADRL CN(CC1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1)C(=O)[O-] ZINC000828253105 603472277 /nfs/dbraw/zinc/47/22/77/603472277.db2.gz HWMROFAGONXUEY-UHFFFAOYSA-N -2 0 361.225 3.161 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])s1 ZINC000827595559 604013410 /nfs/dbraw/zinc/01/34/10/604013410.db2.gz NRNFZKLFFVHYKZ-UHFFFAOYSA-N -2 0 352.437 3.152 20 0 FGADRL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nc(C2CC2)c(C(=O)[O-])s1 ZINC000833744757 604760510 /nfs/dbraw/zinc/76/05/10/604760510.db2.gz OCKHWABSOHITKC-UHFFFAOYSA-N -2 0 372.855 3.481 20 0 FGADRL CC(C)(C)c1nc([N-]S(=O)(=O)Cc2ccccc2)sc1C(=O)[O-] ZINC000833450658 605006495 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CC(C)CCC(=O)N[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187416280 712741301 /nfs/dbraw/zinc/74/13/01/712741301.db2.gz UCHYJTONPGYZSD-UHFFFAOYSA-N -2 0 372.796 3.105 20 0 FGADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1[N+](=O)[O-] ZINC000189321443 712791859 /nfs/dbraw/zinc/79/18/59/712791859.db2.gz YUTFFNJHPGDNKQ-UHFFFAOYSA-N -2 0 356.787 3.371 20 0 FGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000313329642 713803295 /nfs/dbraw/zinc/80/32/95/713803295.db2.gz XORJBOGWVHBCGO-UHFFFAOYSA-N -2 0 353.755 3.179 20 0 FGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000322436196 713813578 /nfs/dbraw/zinc/81/35/78/713813578.db2.gz CVKDTCFPFKLGRL-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL Cc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2s1 ZINC000324069151 713815403 /nfs/dbraw/zinc/81/54/03/713815403.db2.gz XUCMALWNSZXEIS-UHFFFAOYSA-N -2 0 366.395 3.243 20 0 FGADRL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000324653570 713816532 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CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000683729241 722307003 /nfs/dbraw/zinc/30/70/03/722307003.db2.gz DGACPBUQPMGTKQ-UHFFFAOYSA-N -2 0 369.826 3.410 20 0 FGADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000685902313 722407459 /nfs/dbraw/zinc/40/74/59/722407459.db2.gz CKXDZQYDIYSCGE-UHFFFAOYSA-N -2 0 374.340 3.216 20 0 FGADRL CCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000749141656 722717576 /nfs/dbraw/zinc/71/75/76/722717576.db2.gz HUIHEINRVLYDSZ-UHFFFAOYSA-N -2 0 367.398 3.170 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1F ZINC000753775153 722912689 /nfs/dbraw/zinc/91/26/89/722912689.db2.gz RKCOMUHNTXRYAO-UHFFFAOYSA-N -2 0 371.361 3.171 20 0 FGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1F ZINC000755412204 722953084 /nfs/dbraw/zinc/95/30/84/722953084.db2.gz JSXLHALIGRMGFK-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000761899066 723194060 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CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000055548540 494359029 /nfs/dbraw/zinc/35/90/29/494359029.db2.gz GIHALPXPRBNURC-UHFFFAOYSA-N -2 0 363.391 3.007 20 0 FGADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000057123449 494648697 /nfs/dbraw/zinc/64/86/97/494648697.db2.gz JYUACZZBWWHTDB-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000057178001 494668688 /nfs/dbraw/zinc/66/86/88/494668688.db2.gz KRBQSQOJDCZYTO-UHFFFAOYSA-N -2 0 370.770 3.056 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1F ZINC000134617589 495176758 /nfs/dbraw/zinc/17/67/58/495176758.db2.gz BTJIXLFWQPHFIW-UHFFFAOYSA-N -2 0 369.389 3.481 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c(F)c1 ZINC000134617643 495177273 /nfs/dbraw/zinc/17/72/73/495177273.db2.gz QYBJZYXPIZGIPP-UHFFFAOYSA-N -2 0 351.399 3.342 20 0 FGADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C ZINC000160157401 495897755 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Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000467751473 501859732 /nfs/dbraw/zinc/85/97/32/501859732.db2.gz BJPUBILXZPOFAF-UHFFFAOYSA-N -2 0 374.374 3.274 20 0 FGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000471137789 501931396 /nfs/dbraw/zinc/93/13/96/501931396.db2.gz SLWWICSSUSFBTC-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c(F)c1 ZINC000479200156 502190982 /nfs/dbraw/zinc/19/09/82/502190982.db2.gz PGNSHXGLTURVQE-UHFFFAOYSA-N -2 0 371.411 3.055 20 0 FGADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479267321 502211032 /nfs/dbraw/zinc/21/10/32/502211032.db2.gz SOTKRPUKIPFQOW-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000470436180 502772790 /nfs/dbraw/zinc/77/27/90/502772790.db2.gz BWFTXWRHGZYTIO-UHFFFAOYSA-N -2 0 359.400 3.175 20 0 FGADRL CCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)c(C(=O)[O-])c1 ZINC000496056890 502871534 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CC[C@H](Cc1ccc([N-]S(=O)(=O)c2sc(C)nc2C)cc1)C(=O)[O-] ZINC000184904267 496578783 /nfs/dbraw/zinc/57/87/83/496578783.db2.gz RWNROCVBCBXQTA-CYBMUJFWSA-N -2 0 368.480 3.214 20 0 FGADRL CC[C@H](C)N(CC(=O)[O-])C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000236946464 497170377 /nfs/dbraw/zinc/17/03/77/497170377.db2.gz FSFWDPDKTHWFIW-ZDUSSCGKSA-N -2 0 359.426 3.027 20 0 FGADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000274984757 497211866 /nfs/dbraw/zinc/21/18/66/497211866.db2.gz DMMPXJIUPCOISP-HXUWFJFHSA-N -2 0 368.389 3.196 20 0 FGADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000575795873 506006184 /nfs/dbraw/zinc/00/61/84/506006184.db2.gz SYVAGCFITABCQE-UHFFFAOYSA-N -2 0 371.867 3.490 20 0 FGADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000579069065 506086266 /nfs/dbraw/zinc/08/62/66/506086266.db2.gz YZAOQENGDMLXEM-UHFFFAOYSA-N -2 0 367.398 3.259 20 0 FGADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000320275689 498806071 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FGADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccccc2F)cccc1C(=O)[O-] ZINC000410398329 499660277 /nfs/dbraw/zinc/66/02/77/499660277.db2.gz PIULVVNCGSJIIH-UHFFFAOYSA-N -2 0 353.371 3.112 20 0 FGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)ccc1Cl ZINC000430974947 500315879 /nfs/dbraw/zinc/31/58/79/500315879.db2.gz GQRLGTGAPHDWJF-UHFFFAOYSA-N -2 0 362.794 3.387 20 0 FGADRL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000433528681 500708729 /nfs/dbraw/zinc/70/87/29/500708729.db2.gz DZEVUSHQEYLJTN-LLVKDONJSA-N -2 0 365.407 3.069 20 0 FGADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000471131570 501930335 /nfs/dbraw/zinc/93/03/35/501930335.db2.gz RKAXKSYRGIVAQT-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1 ZINC000471985126 502192239 /nfs/dbraw/zinc/19/22/39/502192239.db2.gz JYSOKJGTTBVXTJ-UHFFFAOYSA-N -2 0 373.789 3.003 20 0 FGADRL CCCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000479551335 502294967 /nfs/dbraw/zinc/29/49/67/502294967.db2.gz FCCHVQBQEUGERK-UHFFFAOYSA-N -2 0 370.452 3.129 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000476381762 502474736 /nfs/dbraw/zinc/47/47/36/502474736.db2.gz UJWLHRSPGZMWEG-UHFFFAOYSA-N -2 0 371.361 3.171 20 0 FGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1)C(=O)[O-] ZINC000509380671 502887816 /nfs/dbraw/zinc/88/78/16/502887816.db2.gz XINNVNGQNNWXBY-CYBMUJFWSA-N -2 0 370.430 3.299 20 0 FGADRL CCOCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000489748398 503024160 /nfs/dbraw/zinc/02/41/60/503024160.db2.gz TUIYQQPEXLEUON-UHFFFAOYSA-N -2 0 369.826 3.376 20 0 FGADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000498010146 503085980 /nfs/dbraw/zinc/08/59/80/503085980.db2.gz YCLYREMDLNWKOE-UHFFFAOYSA-N -2 0 370.224 3.257 20 0 FGADRL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(F)cc(Cl)c2[O-])no1 ZINC000507905940 503392158 /nfs/dbraw/zinc/39/21/58/503392158.db2.gz ZRCKRICURXAVRM-UHFFFAOYSA-N -2 0 362.810 3.412 20 0 FGADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512784987 503630466 /nfs/dbraw/zinc/63/04/66/503630466.db2.gz AJIYJLXDNPGTKK-UHFFFAOYSA-N -2 0 353.371 3.032 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c(C)c1 ZINC000512785723 503631142 /nfs/dbraw/zinc/63/11/42/503631142.db2.gz NPYMDLDNYZLDCM-UHFFFAOYSA-N -2 0 367.398 3.340 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cs1 ZINC000530145715 503853183 /nfs/dbraw/zinc/85/31/83/503853183.db2.gz ZCVLTCIBPBXFSI-UHFFFAOYSA-N -2 0 367.448 3.141 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1OC(C)(C)C2 ZINC000530488504 503982516 /nfs/dbraw/zinc/98/25/16/503982516.db2.gz PEWBGUGYNRNZDJ-UHFFFAOYSA-N -2 0 361.419 3.208 20 0 FGADRL CSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C ZINC000538094296 504131752 /nfs/dbraw/zinc/13/17/52/504131752.db2.gz UMCYWDACEXBWDX-UHFFFAOYSA-N -2 0 355.412 3.355 20 0 FGADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000544640540 504200909 /nfs/dbraw/zinc/20/09/09/504200909.db2.gz VQJREOGAQBDNTL-UHFFFAOYSA-N -2 0 371.846 3.233 20 0 FGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547882587 504256581 /nfs/dbraw/zinc/25/65/81/504256581.db2.gz UESAWVALNPNEOT-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000547885856 504258599 /nfs/dbraw/zinc/25/85/99/504258599.db2.gz ZWPPIMFVWVXMIM-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)[C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000548263919 504377518 /nfs/dbraw/zinc/37/75/18/504377518.db2.gz XFOLJOLZSDXICC-MWLCHTKSSA-N -2 0 353.362 3.032 20 0 FGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C1CC1 ZINC000536495668 504748260 /nfs/dbraw/zinc/74/82/60/504748260.db2.gz CUFNJCLHKOEJEV-SECBINFHSA-N -2 0 369.468 3.292 20 0 FGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000564549458 505449864 /nfs/dbraw/zinc/44/98/64/505449864.db2.gz WZRXGRGDLCLWES-UHFFFAOYSA-N -2 0 371.361 3.024 20 0 FGADRL CC(C)n1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc2n1 ZINC000605614996 507259352 /nfs/dbraw/zinc/25/93/52/507259352.db2.gz GCJDMTLZMJLCIX-UHFFFAOYSA-N -2 0 365.436 3.178 20 0 FGADRL O=C([O-])c1cccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000774120416 598201643 /nfs/dbraw/zinc/20/16/43/598201643.db2.gz RVEQCZSVHXNUBW-NTUHNPAUSA-N -2 0 370.748 3.469 20 0 FGADRL Cc1ccc2nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)sc2c1 ZINC000324656289 599965568 /nfs/dbraw/zinc/96/55/68/599965568.db2.gz GZDGZYGQFNTTCH-UHFFFAOYSA-N -2 0 362.432 3.412 20 0 FGADRL C[C@](CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000736541573 599981911 /nfs/dbraw/zinc/98/19/11/599981911.db2.gz MAKRPPLHNMTLCC-DYESRHJHSA-N -2 0 369.417 3.141 20 0 FGADRL Cc1nc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)sc1C(=O)[O-] ZINC000738217059 600054445 /nfs/dbraw/zinc/05/44/45/600054445.db2.gz AHLIYGVGBHXYSK-UHFFFAOYSA-N -2 0 354.453 3.184 20 0 FGADRL Cc1nc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)sc1C(=O)[O-] ZINC000738363838 600054669 /nfs/dbraw/zinc/05/46/69/600054669.db2.gz NZSLZIRMDVNDKC-UHFFFAOYSA-N -2 0 354.453 3.149 20 0 FGADRL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736404281 600054829 /nfs/dbraw/zinc/05/48/29/600054829.db2.gz YVLIDNPGVAFMII-SNVBAGLBSA-N -2 0 357.457 3.051 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c1C(=O)[O-] ZINC000738744011 600055264 /nfs/dbraw/zinc/05/52/64/600055264.db2.gz HMEZBLBTAGLXLN-ZDUSSCGKSA-N -2 0 365.455 3.298 20 0 FGADRL O=C([O-])c1cc(F)ccc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000740078298 600081112 /nfs/dbraw/zinc/08/11/12/600081112.db2.gz QYNBCZHLTPHUGT-UHFFFAOYSA-N -2 0 364.398 3.194 20 0 FGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737034871 600092899 /nfs/dbraw/zinc/09/28/99/600092899.db2.gz SVTGTBCMYKISBI-UHFFFAOYSA-N -2 0 353.371 3.114 20 0 FGADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736494692 600098710 /nfs/dbraw/zinc/09/87/10/600098710.db2.gz QVHNSVPQAOOSIQ-UHFFFAOYSA-N -2 0 359.400 3.173 20 0 FGADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000737336373 600204000 /nfs/dbraw/zinc/20/40/00/600204000.db2.gz QHZGPGIHHCXSFC-UHFFFAOYSA-N -2 0 357.391 3.150 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c(C)c1 ZINC000738654657 600237468 /nfs/dbraw/zinc/23/74/68/600237468.db2.gz DFOCKSZRQDXCCL-UHFFFAOYSA-N -2 0 371.361 3.404 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c(F)c1 ZINC000738655271 600301624 /nfs/dbraw/zinc/30/16/24/600301624.db2.gz ODURPWPZKPTSHF-UHFFFAOYSA-N -2 0 352.387 3.045 20 0 FGADRL CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736905551 600459300 /nfs/dbraw/zinc/45/93/00/600459300.db2.gz UMTHQFRNBJMLKB-AWEZNQCLSA-N -2 0 367.467 3.186 20 0 FGADRL O=C([O-])[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1[O-])c1ccccc1 ZINC000833134516 600779628 /nfs/dbraw/zinc/77/96/28/600779628.db2.gz PJCLGPBESDKBLU-LLVKDONJSA-N -2 0 354.189 3.297 20 0 FGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)c1C(=O)[O-] ZINC000738462694 600898077 /nfs/dbraw/zinc/89/80/77/600898077.db2.gz SGQAJBCLHJJHSV-UHFFFAOYSA-N -2 0 367.423 3.491 20 0 FGADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000826763612 600976106 /nfs/dbraw/zinc/97/61/06/600976106.db2.gz GZGHEIGPDYDAQV-JTQLQIEISA-N -2 0 357.457 3.051 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccsc2)ccc1Br ZINC000091390619 601116766 /nfs/dbraw/zinc/11/67/66/601116766.db2.gz FDDNTBJQQMERSB-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccsc1 ZINC000740067136 601116865 /nfs/dbraw/zinc/11/68/65/601116865.db2.gz LPJJBYJUXGCJAW-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL Cc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc2s1 ZINC000833005876 601231531 /nfs/dbraw/zinc/23/15/31/601231531.db2.gz ILEDYFWOUJKAQT-UHFFFAOYSA-N -2 0 352.393 3.005 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1C ZINC000832866920 601360446 /nfs/dbraw/zinc/36/04/46/601360446.db2.gz ZWZDSDAQJYVASF-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL COc1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000832336347 601386929 /nfs/dbraw/zinc/38/69/29/601386929.db2.gz RMPHMIZWWGVZDX-UHFFFAOYSA-N -2 0 370.188 3.336 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnc1Cl ZINC000320641267 601575764 /nfs/dbraw/zinc/57/57/64/601575764.db2.gz IBGYFWDECCBFPD-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL O=C([O-])Nc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000833289260 601757255 /nfs/dbraw/zinc/75/72/55/601757255.db2.gz JQYWRYFVSBSFLO-UHFFFAOYSA-N -2 0 356.313 3.059 20 0 FGADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000028498204 601826899 /nfs/dbraw/zinc/82/68/99/601826899.db2.gz MBRDDQNBBUGZOQ-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000831945907 601986293 /nfs/dbraw/zinc/98/62/93/601986293.db2.gz LYBLRXSBSASWFV-UHFFFAOYSA-N -2 0 365.791 3.048 20 0 FGADRL Cc1nc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)sc1C(=O)[O-] ZINC000832904385 602101479 /nfs/dbraw/zinc/10/14/79/602101479.db2.gz KIIDWPUILONDBV-UHFFFAOYSA-N -2 0 364.807 3.051 20 0 FGADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)s1 ZINC000832999612 602119740 /nfs/dbraw/zinc/11/97/40/602119740.db2.gz WDPQMBBTSGKUBD-UHFFFAOYSA-N -2 0 368.480 3.457 20 0 FGADRL CCCCCOc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1 ZINC000829364236 602155093 /nfs/dbraw/zinc/15/50/93/602155093.db2.gz XUNCLYMPQVLDEB-UHFFFAOYSA-N -2 0 370.452 3.211 20 0 FGADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000832886226 602159116 /nfs/dbraw/zinc/15/91/16/602159116.db2.gz ACEPPTHVKUUDPL-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL O=C([O-])NCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000740680774 602656376 /nfs/dbraw/zinc/65/63/76/602656376.db2.gz UVXLLHAXFSOXMD-UHFFFAOYSA-N -2 0 358.778 3.048 20 0 FGADRL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cc1 ZINC000828771133 604624159 /nfs/dbraw/zinc/62/41/59/604624159.db2.gz ZNEXNIBPYYPTHF-NSHDSACASA-N -2 0 368.480 3.475 20 0 FGADRL CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833483611 604687251 /nfs/dbraw/zinc/68/72/51/604687251.db2.gz FPWYZZBMKSSTNH-UHFFFAOYSA-N -2 0 364.423 3.006 20 0 FGADRL CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1 ZINC000833421945 605301898 /nfs/dbraw/zinc/30/18/98/605301898.db2.gz NTCWFYAORKBCDH-UHFFFAOYSA-N -2 0 367.448 3.476 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)sc1C ZINC000833901301 605860198 /nfs/dbraw/zinc/86/01/98/605860198.db2.gz MPUFABWKGOJIDK-JTQLQIEISA-N -2 0 354.453 3.494 20 0 FGADRL O=C([O-])NCCCCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000834235549 605928808 /nfs/dbraw/zinc/92/88/08/605928808.db2.gz SCTWYQWZZYTLRW-UHFFFAOYSA-N -2 0 365.611 3.185 20 0 FGADRL C[C@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000128890025 700780805 /nfs/dbraw/zinc/78/08/05/700780805.db2.gz YVSPMMDRGIQVFO-ZCFIWIBFSA-N -2 0 360.646 3.036 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3cccnc32)cc1C(=O)[O-] ZINC000178953860 705682664 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CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000484961454 502787717 /nfs/dbraw/zinc/78/77/17/502787717.db2.gz CDHGEOUEKUIOCK-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000507936273 503399148 /nfs/dbraw/zinc/39/91/48/503399148.db2.gz JVCKOIAKGFWNAE-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)sc1C(=O)[O-] ZINC000530381963 503944575 /nfs/dbraw/zinc/94/45/75/503944575.db2.gz UNLQWDXSZNCLCS-UHFFFAOYSA-N -2 0 367.448 3.269 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cncc3ccccc32)cc(C(=O)[O-])c1C ZINC000537836766 504058504 /nfs/dbraw/zinc/05/85/04/504058504.db2.gz JJPJZZFXQZMZAJ-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccc3C(=O)[O-])c(C)c2)o1 ZINC000538016093 504114891 /nfs/dbraw/zinc/11/48/91/504114891.db2.gz XXIDMYKJNSIGLN-UHFFFAOYSA-N -2 0 360.391 3.186 20 0 FGADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000541929447 504305574 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3.084 20 0 FGADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000622259161 599851958 /nfs/dbraw/zinc/85/19/58/599851958.db2.gz KSMMSYCHLOJANH-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(Cl)s2)NC(=O)N1CCCCC(=O)[O-] ZINC000736749330 599988906 /nfs/dbraw/zinc/98/89/06/599988906.db2.gz ATWTYXIREHLKMM-CYBMUJFWSA-N -2 0 372.830 3.081 20 0 FGADRL CC1=C(C(=O)[O-])[C@@H](c2cccs2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736751862 599992786 /nfs/dbraw/zinc/99/27/86/599992786.db2.gz UAOAYYBBHBHIBI-OAHLLOKOSA-N -2 0 372.402 3.071 20 0 FGADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000740140142 600052203 /nfs/dbraw/zinc/05/22/03/600052203.db2.gz BKEBJIKTZNAYSH-UHFFFAOYSA-N -2 0 372.855 3.174 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000391571987 600053226 /nfs/dbraw/zinc/05/32/26/600053226.db2.gz WMULIZRNLXYDGB-UHFFFAOYSA-N -2 0 354.453 3.248 20 0 FGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c1C(=O)[O-] ZINC000738970959 600099851 /nfs/dbraw/zinc/09/98/51/600099851.db2.gz YYZIWPFYTGZURP-UHFFFAOYSA-N -2 0 371.386 3.322 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1N1CCCC1 ZINC000738463272 600103920 /nfs/dbraw/zinc/10/39/20/600103920.db2.gz JSJHLVSGSGPZRF-UHFFFAOYSA-N -2 0 366.464 3.156 20 0 FGADRL CCCCN(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000736993403 600104718 /nfs/dbraw/zinc/10/47/18/600104718.db2.gz ZFZFUEIZEDTKAZ-UHFFFAOYSA-N -2 0 368.480 3.483 20 0 FGADRL CSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000738196936 600236534 /nfs/dbraw/zinc/23/65/34/600236534.db2.gz UFMHBIAFQSPYSA-UHFFFAOYSA-N -2 0 373.402 3.327 20 0 FGADRL CN(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1)C(=O)[O-] ZINC000737485708 600299724 /nfs/dbraw/zinc/29/97/24/600299724.db2.gz CBSBJAJPOIFOMU-UHFFFAOYSA-N -2 0 372.805 3.390 20 0 FGADRL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1 ZINC000828611703 600827787 /nfs/dbraw/zinc/82/77/87/600827787.db2.gz ARFZKYUFHZKPPD-UHFFFAOYSA-N -2 0 368.480 3.259 20 0 FGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c1 ZINC000740074884 600892650 /nfs/dbraw/zinc/89/26/50/600892650.db2.gz GBJAECRUEOOZGE-UHFFFAOYSA-N -2 0 369.830 3.151 20 0 FGADRL Cc1cccc2sc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)nc21 ZINC000832974016 600975307 /nfs/dbraw/zinc/97/53/07/600975307.db2.gz JLAJWWORKJJAIZ-UHFFFAOYSA-N -2 0 354.434 3.165 20 0 FGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000831945904 601203134 /nfs/dbraw/zinc/20/31/34/601203134.db2.gz LRVWNBHEHHXDCL-UHFFFAOYSA-N -2 0 371.436 3.043 20 0 FGADRL Cc1cc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)cc(C)c1OCC(=O)[O-] ZINC000832880723 601208383 /nfs/dbraw/zinc/20/83/83/601208383.db2.gz GDVQYRDRZGMEEC-GLIMQPGKSA-N -2 0 359.403 3.492 20 0 FGADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000832780847 601233032 /nfs/dbraw/zinc/23/30/32/601233032.db2.gz IQDJBMPYNKLVDY-UHFFFAOYSA-N -2 0 361.828 3.462 20 0 FGADRL CCc1cccc(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1O ZINC000830259899 601289442 /nfs/dbraw/zinc/28/94/42/601289442.db2.gz JLHUOUWREYAXHC-AWEZNQCLSA-N -2 0 368.433 3.004 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)ccc1F ZINC000833306309 601329481 /nfs/dbraw/zinc/32/94/81/601329481.db2.gz OJMCZHGCSMASCN-UHFFFAOYSA-N -2 0 367.402 3.026 20 0 FGADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1O ZINC000832886708 601333013 /nfs/dbraw/zinc/33/30/13/601333013.db2.gz SLMGBMKNQQNJSW-DAXSKMNVSA-N -2 0 367.810 3.253 20 0 FGADRL CC(C)c1csc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000390590553 601358608 /nfs/dbraw/zinc/35/86/08/601358608.db2.gz RYBSYKRQMXJXFL-VMPITWQZSA-N -2 0 352.437 3.165 20 0 FGADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000833268895 601402912 /nfs/dbraw/zinc/40/29/12/601402912.db2.gz HXXGXYTVSBXIOK-UHFFFAOYSA-N -2 0 374.443 3.238 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000832919648 601474399 /nfs/dbraw/zinc/47/43/99/601474399.db2.gz RVEFENXJCFJNTD-UHFFFAOYSA-N -2 0 358.375 3.149 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)s1 ZINC000833324487 601504177 /nfs/dbraw/zinc/50/41/77/601504177.db2.gz SMUFDADEBPVTKJ-UHFFFAOYSA-N -2 0 373.481 3.146 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c(Cl)c1 ZINC000321243521 601771017 /nfs/dbraw/zinc/77/10/17/601771017.db2.gz JFEYZSNIMGVZCA-UHFFFAOYSA-N -2 0 374.871 3.313 20 0 FGADRL CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000830639641 601847834 /nfs/dbraw/zinc/84/78/34/601847834.db2.gz LCASHUCVAOAVEB-UHFFFAOYSA-N -2 0 372.805 3.044 20 0 FGADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)s1 ZINC000832999250 602119791 /nfs/dbraw/zinc/11/97/91/602119791.db2.gz RWXYDLWZYNPPGN-UHFFFAOYSA-N -2 0 358.441 3.050 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)s1 ZINC000833323395 602308719 /nfs/dbraw/zinc/30/87/19/602308719.db2.gz KTMZMDLYDJOIPT-UHFFFAOYSA-N -2 0 355.441 3.018 20 0 FGADRL O=C([O-])N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000740524174 602646709 /nfs/dbraw/zinc/64/67/09/602646709.db2.gz PZMUGUYVDNACES-UHFFFAOYSA-N -2 0 368.361 3.196 20 0 FGADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000739445310 602655260 /nfs/dbraw/zinc/65/52/60/602655260.db2.gz QPGYWBGPVSKKHK-UHFFFAOYSA-N -2 0 352.387 3.126 20 0 FGADRL O=C([O-])N1CCc2ccc(NC(=O)c3ccc4[n-]c(=S)oc4c3)cc2C1 ZINC000831778468 603784917 /nfs/dbraw/zinc/78/49/17/603784917.db2.gz QYVYYLMLMSFAGT-UHFFFAOYSA-N -2 0 369.402 3.405 20 0 FGADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000827193093 603817892 /nfs/dbraw/zinc/81/78/92/603817892.db2.gz HAJACEQDMWEVBH-UHFFFAOYSA-N -2 0 369.468 3.061 20 0 FGADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1C ZINC000829447989 604792922 /nfs/dbraw/zinc/79/29/22/604792922.db2.gz UXMLVDWLWYGGNE-UHFFFAOYSA-N -2 0 371.846 3.144 20 0 FGADRL CCc1nc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)sc1C(=O)[O-] ZINC000833674938 604990765 /nfs/dbraw/zinc/99/07/65/604990765.db2.gz HOOMYLOUEWLWMD-BQYQJAHWSA-N -2 0 372.855 3.470 20 0 FGADRL CC(C)c1cccnc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833511298 605053749 /nfs/dbraw/zinc/05/37/49/605053749.db2.gz KWOJDHMAUZZINC-UHFFFAOYSA-N -2 0 354.815 3.357 20 0 FGADRL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833511323 605136446 /nfs/dbraw/zinc/13/64/46/605136446.db2.gz MCEPKMMIYUHLMY-UHFFFAOYSA-N -2 0 360.435 3.122 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)sc1C ZINC000833901302 605859919 /nfs/dbraw/zinc/85/99/19/605859919.db2.gz MPUFABWKGOJIDK-SNVBAGLBSA-N -2 0 354.453 3.494 20 0 FGADRL O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[O-])C1 ZINC000834287610 605994084 /nfs/dbraw/zinc/99/40/84/605994084.db2.gz ODUMOLDXLFCJLM-BXUZGUMPSA-N -2 0 352.818 3.040 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC000156342622 705112131 /nfs/dbraw/zinc/11/21/31/705112131.db2.gz LUVDHTIJDDTPJN-UHFFFAOYSA-N -2 0 363.288 3.050 20 0 FGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000195442399 713556413 /nfs/dbraw/zinc/55/64/13/713556413.db2.gz NTFQTYNHYGHGIR-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL O=[N+]([O-])c1ccc([O-])c([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000215214228 713567356 /nfs/dbraw/zinc/56/73/56/713567356.db2.gz ARZDLXJNIKBMKU-FPLPWBNLSA-N -2 0 354.771 3.366 20 0 FGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cccc3ncccc32)cc1F ZINC000326923925 713821150 /nfs/dbraw/zinc/82/11/50/713821150.db2.gz QWVZRHRBPHBUBP-UHFFFAOYSA-N -2 0 364.329 3.012 20 0 FGADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000673896902 721676396 /nfs/dbraw/zinc/67/63/96/721676396.db2.gz MOZVYZSOHLEBIK-UHFFFAOYSA-N -2 0 355.437 3.250 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC000674647283 721702991 /nfs/dbraw/zinc/70/29/91/721702991.db2.gz XELOCBYKXSOVOA-UHFFFAOYSA-N -2 0 367.423 3.402 20 0 FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1O ZINC000680809942 722158476 /nfs/dbraw/zinc/15/84/76/722158476.db2.gz WNBFFTCFEPBYMA-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c(F)cc1F ZINC000753363589 722895779 /nfs/dbraw/zinc/89/57/79/722895779.db2.gz MXFCTJBXHFQMEA-UHFFFAOYSA-N -2 0 363.288 3.050 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000753776649 722912732 /nfs/dbraw/zinc/91/27/32/722912732.db2.gz ZAIXRUBHKAROIV-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c1 ZINC000759103041 722999618 /nfs/dbraw/zinc/99/96/18/722999618.db2.gz QZGBDTQLIMVGID-UHFFFAOYSA-N -2 0 369.826 3.415 20 0 FGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000759689518 723016748 /nfs/dbraw/zinc/01/67/48/723016748.db2.gz NBMVSRLDHZQGFN-UHFFFAOYSA-N -2 0 371.361 3.253 20 0 FGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1C ZINC000793431155 723437208 /nfs/dbraw/zinc/43/72/08/723437208.db2.gz WQWQQIGRQHMZEW-SNVBAGLBSA-N -2 0 369.418 3.109 20 0 FGADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000794863612 723549470 /nfs/dbraw/zinc/54/94/70/723549470.db2.gz AUTQEAFWXHEJKZ-UHFFFAOYSA-N -2 0 367.810 3.350 20 0 FGADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000768283355 723652604 /nfs/dbraw/zinc/65/26/04/723652604.db2.gz PKJATUYREUEYEX-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000775294488 723978292 /nfs/dbraw/zinc/97/82/92/723978292.db2.gz BMHHWZZDEXBHMC-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000775294584 723978453 /nfs/dbraw/zinc/97/84/53/723978453.db2.gz DPGYEJZMDMFQNQ-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(Cl)cc1F ZINC000775298704 723979924 /nfs/dbraw/zinc/97/99/24/723979924.db2.gz URFSHCHLFMWAPA-UHFFFAOYSA-N -2 0 368.773 3.459 20 0 FGADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC000775679235 724023546 /nfs/dbraw/zinc/02/35/46/724023546.db2.gz RRRDXIIFNVVFDW-VIFPVBQESA-N -2 0 371.846 3.315 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c(Cl)n1 ZINC000800833873 724234075 /nfs/dbraw/zinc/23/40/75/724234075.db2.gz KBRSHZXRTCAMMJ-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O)c(Cl)cc1Cl ZINC000833306366 729745347 /nfs/dbraw/zinc/74/53/47/729745347.db2.gz ZMFIIXBLDXMNSH-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c(Cl)n1 ZINC000844798491 730769034 /nfs/dbraw/zinc/76/90/34/730769034.db2.gz VCLRUHUIBDWRSM-UHFFFAOYSA-N -2 0 368.842 3.252 20 0 FGADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000065844536 221237173 /nfs/dbraw/zinc/23/71/73/221237173.db2.gz XQRXHTVMWCKZIJ-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000048440692 493828276 /nfs/dbraw/zinc/82/82/76/493828276.db2.gz RBWGCTARVFMDNL-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000055311235 494325661 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CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000184902159 496578086 /nfs/dbraw/zinc/57/80/86/496578086.db2.gz XWGZSNGIMLSLEE-GFCCVEGCSA-N -2 0 369.389 3.419 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1 ZINC000164995299 496643803 /nfs/dbraw/zinc/64/38/03/496643803.db2.gz NTMDUKPZTFUNKD-UHFFFAOYSA-N -2 0 354.387 3.248 20 0 FGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1C(=O)[O-] ZINC000190854502 497622744 /nfs/dbraw/zinc/62/27/44/497622744.db2.gz OVBXJDVRRFBCJL-UHFFFAOYSA-N -2 0 358.419 3.294 20 0 FGADRL COc1cc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)ccc1C(=O)[O-] ZINC000581703929 506047969 /nfs/dbraw/zinc/04/79/69/506047969.db2.gz ZWQPCRDQNLUHCO-UHFFFAOYSA-N -2 0 372.402 3.051 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000320443508 498808221 /nfs/dbraw/zinc/80/82/21/498808221.db2.gz CUSRAOUCUYMOQZ-UHFFFAOYSA-N -2 0 363.363 3.157 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000325655344 498838863 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C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000826045351 601609527 /nfs/dbraw/zinc/60/95/27/601609527.db2.gz SFDZLQJOYJBAOZ-ZUZCIYMTSA-N -2 0 356.403 3.308 20 0 FGADRL O=C([O-])[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(Cl)cc1 ZINC000833124498 601698934 /nfs/dbraw/zinc/69/89/34/601698934.db2.gz DKDIRYYCSVITJX-CYBMUJFWSA-N -2 0 362.794 3.326 20 0 FGADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc(NC(=O)[O-])cc2)n1 ZINC000830270125 601756546 /nfs/dbraw/zinc/75/65/46/601756546.db2.gz LTUXNAYFRUQBDI-UHFFFAOYSA-N -2 0 366.377 3.483 20 0 FGADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000827058802 601828813 /nfs/dbraw/zinc/82/88/13/601828813.db2.gz XIXYCUUOOKPDHV-UHFFFAOYSA-N -2 0 370.814 3.021 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(Cl)cc1F ZINC000746351453 601832207 /nfs/dbraw/zinc/83/22/07/601832207.db2.gz WIVXBAJNKVTGGC-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000829541225 601856088 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3.404 20 0 FGADRL CCCCn1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C(C)C ZINC000480244831 502511852 /nfs/dbraw/zinc/51/18/52/502511852.db2.gz HIKCQSOWINIUMV-UHFFFAOYSA-N -2 0 365.455 3.306 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1Cl ZINC000484531627 502662751 /nfs/dbraw/zinc/66/27/51/502662751.db2.gz UFOGGZTVRFOJLB-UHFFFAOYSA-N -2 0 368.823 3.449 20 0 FGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000505127705 502855816 /nfs/dbraw/zinc/85/58/16/502855816.db2.gz FPONMETZPRQLKQ-UHFFFAOYSA-N -2 0 361.828 3.218 20 0 FGADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000511727285 503376965 /nfs/dbraw/zinc/37/69/65/503376965.db2.gz OXYGPDIHOIGTDT-UHFFFAOYSA-N -2 0 363.435 3.492 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000499502697 503420460 /nfs/dbraw/zinc/42/04/60/503420460.db2.gz LMIKIEURHPARPY-UHFFFAOYSA-N -2 0 360.416 3.309 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)s1 ZINC000504658627 503601388 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FGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000531145092 504205082 /nfs/dbraw/zinc/20/50/82/504205082.db2.gz MDFYNNKLDFQDCR-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000544726277 504236467 /nfs/dbraw/zinc/23/64/67/504236467.db2.gz SEGRXARLROCELI-UHFFFAOYSA-N -2 0 374.212 3.104 20 0 FGADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000547879736 504257042 /nfs/dbraw/zinc/25/70/42/504257042.db2.gz WCCBMGDIKQAFRY-UHFFFAOYSA-N -2 0 365.455 3.197 20 0 FGADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cc3ccccc3o2)c1F ZINC000547901591 504260440 /nfs/dbraw/zinc/26/04/40/504260440.db2.gz BJJONUZNKCKYJC-UHFFFAOYSA-N -2 0 353.302 3.210 20 0 FGADRL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(F)(F)F ZINC000519639450 504285471 /nfs/dbraw/zinc/28/54/71/504285471.db2.gz CILIFRZAMKZQEB-MRVPVSSYSA-N -2 0 359.391 3.092 20 0 FGADRL CN(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C(=O)[O-])c1 ZINC000548200631 504368399 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FGADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(Cl)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736749705 599988969 /nfs/dbraw/zinc/98/89/69/599988969.db2.gz DXZVSXIAZPQTKC-OAHLLOKOSA-N -2 0 366.801 3.020 20 0 FGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736752254 599989151 /nfs/dbraw/zinc/98/91/51/599989151.db2.gz VSLNKNZTLNYDKY-OAHLLOKOSA-N -2 0 366.801 3.020 20 0 FGADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1 ZINC000320392749 600050868 /nfs/dbraw/zinc/05/08/68/600050868.db2.gz XTRCSCCRJRAXIO-SNVBAGLBSA-N -2 0 354.453 3.085 20 0 FGADRL Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)sc1C(=O)[O-] ZINC000738363122 600054710 /nfs/dbraw/zinc/05/47/10/600054710.db2.gz CXXQKKJEXUPYDJ-UHFFFAOYSA-N -2 0 367.235 3.257 20 0 FGADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000736540574 600098685 /nfs/dbraw/zinc/09/86/85/600098685.db2.gz JIXPBRPEJHCZMB-VIFPVBQESA-N -2 0 369.830 3.007 20 0 FGADRL CC(C)N(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1F ZINC000324895300 600104934 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O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC000833296890 600979788 /nfs/dbraw/zinc/97/97/88/600979788.db2.gz CQTSWBNNAJIKEC-UHFFFAOYSA-N -2 0 362.794 3.387 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1C(=O)[O-] ZINC000833030049 601233363 /nfs/dbraw/zinc/23/33/63/601233363.db2.gz QIIXNSODFZEXAF-UHFFFAOYSA-N -2 0 353.396 3.012 20 0 FGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000006788239 601317565 /nfs/dbraw/zinc/31/75/65/601317565.db2.gz XCHOMPCFXFHHJA-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)s1 ZINC000829373276 601502300 /nfs/dbraw/zinc/50/23/00/601502300.db2.gz OUJAUIHRKSBTQT-UHFFFAOYSA-N -2 0 369.468 3.078 20 0 FGADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000746352255 601829992 /nfs/dbraw/zinc/82/99/92/601829992.db2.gz BLMTZKUFWQHJRP-UHFFFAOYSA-N -2 0 371.773 3.181 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(Cl)cc1F ZINC000733122037 601833325 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CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000739445160 602653987 /nfs/dbraw/zinc/65/39/87/602653987.db2.gz NNTGLYGQTPIYGX-UHFFFAOYSA-N -2 0 370.377 3.266 20 0 FGADRL C[C@](CC(=O)Nc1cccc2c1CCN2C(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000824703636 603911559 /nfs/dbraw/zinc/91/15/59/603911559.db2.gz OLFJCSCEZDOQMT-HXUWFJFHSA-N -2 0 368.389 3.098 20 0 FGADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])c1 ZINC000753965372 605184812 /nfs/dbraw/zinc/18/48/12/605184812.db2.gz RYUCGGUWALQFQO-UHFFFAOYSA-N -2 0 359.407 3.116 20 0 FGADRL O=C([O-])C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000834059393 606029644 /nfs/dbraw/zinc/02/96/44/606029644.db2.gz AYAXEKCXJODECF-CQSZACIVSA-N -2 0 362.769 3.376 20 0 FGADRL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1C(=O)[O-] ZINC000112642054 700562008 /nfs/dbraw/zinc/56/20/08/700562008.db2.gz NOXLFUQMALKBHH-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL Cc1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)ccc2[nH]1 ZINC000160043693 705242190 /nfs/dbraw/zinc/24/21/90/705242190.db2.gz VSXXZVKARSYFJU-UHFFFAOYSA-N -2 0 366.345 3.254 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C)c1 ZINC000324364148 713816249 /nfs/dbraw/zinc/81/62/49/713816249.db2.gz IYKNHNARKGYNNI-UHFFFAOYSA-N -2 0 353.371 3.032 20 0 FGADRL CCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000327864681 713824165 /nfs/dbraw/zinc/82/41/65/713824165.db2.gz LHPWOXRHJBQUNC-UHFFFAOYSA-N -2 0 371.361 3.253 20 0 FGADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000780420600 724465096 /nfs/dbraw/zinc/46/50/96/724465096.db2.gz OPSPPGVXBSSKFJ-UHFFFAOYSA-N -2 0 365.382 3.144 20 0 FGADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc2s1 ZINC000781120446 724530486 /nfs/dbraw/zinc/53/04/86/724530486.db2.gz KMMPTRJDYHPJFU-UHFFFAOYSA-N -2 0 352.393 3.005 20 0 FGADRL COc1ccsc1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-] ZINC000680524129 722128395 /nfs/dbraw/zinc/12/83/95/722128395.db2.gz FLDHEULEAQBDBF-UHFFFAOYSA-N -2 0 361.828 3.218 20 0 FGADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000685902777 722407567 /nfs/dbraw/zinc/40/75/67/722407567.db2.gz XNNDJDQAGVTSDY-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1F ZINC000749141142 722717532 /nfs/dbraw/zinc/71/75/32/722717532.db2.gz KDGKGHNFWYTECC-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL O=C([O-])/C=C\c1cnc(/C=C\c2ccc(OC(F)(F)C(=O)[O-])cc2)s1 ZINC000751040279 722792608 /nfs/dbraw/zinc/79/26/08/722792608.db2.gz WEDIFLIXNDVVIC-NHYXXKRCSA-N -2 0 367.329 3.468 20 0 FGADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000762462607 723245319 /nfs/dbraw/zinc/24/53/19/723245319.db2.gz KVRYYESIKIHANP-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(Cl)cc1F ZINC000768287477 723652744 /nfs/dbraw/zinc/65/27/44/723652744.db2.gz VSIZTGAHHSFKTF-UHFFFAOYSA-N -2 0 371.773 3.008 20 0 FGADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000807774488 725169226 /nfs/dbraw/zinc/16/92/26/725169226.db2.gz ARHSORKJYWVWQP-UHFFFAOYSA-N -2 0 365.773 3.375 20 0 FGADRL O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1ccc2[n-]c(=S)oc2c1 ZINC000820465766 728997125 /nfs/dbraw/zinc/99/71/25/728997125.db2.gz QFEHQVRAVVIIJG-UHFFFAOYSA-N -2 0 352.375 3.465 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000833029133 729737637 /nfs/dbraw/zinc/73/76/37/729737637.db2.gz CAELPSNVUFYPSJ-UHFFFAOYSA-N -2 0 367.276 3.245 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ncsc2C2CC2)c(C)c1C(=O)[O-] ZINC000882772352 737489386 /nfs/dbraw/zinc/48/93/86/737489386.db2.gz ROVYVUAJAMGTBB-UHFFFAOYSA-N -2 0 352.437 3.136 20 0 FGADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000571391713 505722618 /nfs/dbraw/zinc/72/26/18/505722618.db2.gz HVFDISXXAOBSPU-UHFFFAOYSA-N -2 0 363.435 3.293 20 0 FGADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000134618541 495177313 /nfs/dbraw/zinc/17/73/13/495177313.db2.gz ZIAFUGLHAHZVOL-UHFFFAOYSA-N -2 0 373.352 3.312 20 0 FGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000156342768 496220876 /nfs/dbraw/zinc/22/08/76/496220876.db2.gz QLYNCDIDIMZEBC-UHFFFAOYSA-N -2 0 363.288 3.050 20 0 FGADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1)C(=O)[O-] ZINC000184901217 496577770 /nfs/dbraw/zinc/57/77/70/496577770.db2.gz AXAPLAHQFRXJFU-ZDUSSCGKSA-N -2 0 351.399 3.280 20 0 FGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000178953873 496628826 /nfs/dbraw/zinc/62/88/26/496628826.db2.gz NQZSBFPDPLRDET-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)ccc12 ZINC000185242164 496715258 /nfs/dbraw/zinc/71/52/58/496715258.db2.gz IBQDOTDNLVJXPG-UHFFFAOYSA-N -2 0 373.365 3.287 20 0 FGADRL Cc1cc(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000572236270 505922117 /nfs/dbraw/zinc/92/21/17/505922117.db2.gz SEVZZVFMRFDCMB-NSHDSACASA-N -2 0 364.405 3.113 20 0 FGADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000569563639 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Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n[nH]1 ZINC000485871712 501969175 /nfs/dbraw/zinc/96/91/75/501969175.db2.gz BTSNSBPNJNZZRA-UHFFFAOYSA-N -2 0 371.418 3.193 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000462102066 502307648 /nfs/dbraw/zinc/30/76/48/502307648.db2.gz NPSCJFNRXKQURR-UHFFFAOYSA-N -2 0 373.789 3.377 20 0 FGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000480206153 502500974 /nfs/dbraw/zinc/50/09/74/502500974.db2.gz ZDIJFGLZULRPSU-SECBINFHSA-N -2 0 371.846 3.315 20 0 FGADRL COc1ccc(S(=O)(=O)[N-]c2csc3ccccc23)cc1C(=O)[O-] ZINC000484049454 502557163 /nfs/dbraw/zinc/55/71/63/502557163.db2.gz XMTCNEKJCJOBFC-UHFFFAOYSA-N -2 0 363.416 3.409 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000484087197 502565955 /nfs/dbraw/zinc/56/59/55/502565955.db2.gz GZABPFNASONNRA-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000484593049 502678297 /nfs/dbraw/zinc/67/82/97/502678297.db2.gz WTLDKNCIAPWTIZ-UHFFFAOYSA-N -2 0 374.187 3.087 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)ccc1C(=O)[O-] ZINC000507891728 503388248 /nfs/dbraw/zinc/38/82/48/503388248.db2.gz TUWUYZXXEXCNSS-UHFFFAOYSA-N -2 0 361.419 3.283 20 0 FGADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1)C(=O)[O-] ZINC000504658270 503601619 /nfs/dbraw/zinc/60/16/19/503601619.db2.gz QWYSSOUVVDRHMG-JTQLQIEISA-N -2 0 355.412 3.192 20 0 FGADRL CCOc1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)ccc1C ZINC000512790213 503632157 /nfs/dbraw/zinc/63/21/57/503632157.db2.gz ITTZCKVOKJXODV-UHFFFAOYSA-N -2 0 367.398 3.340 20 0 FGADRL CCOc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1C(=O)[O-] ZINC000536682008 503678067 /nfs/dbraw/zinc/67/80/67/503678067.db2.gz OZHIGWNLNCRWBI-UHFFFAOYSA-N -2 0 372.402 3.133 20 0 FGADRL CSCc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000518292027 503945100 /nfs/dbraw/zinc/94/51/00/503945100.db2.gz DHHPZXYIWHYIRM-UHFFFAOYSA-N -2 0 357.478 3.419 20 0 FGADRL O=C([O-])c1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1C(=O)[O-] ZINC000547870248 504254584 /nfs/dbraw/zinc/25/45/84/504254584.db2.gz KTGFOJMDDKBMGG-UHFFFAOYSA-N -2 0 371.370 3.037 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000535780552 504541946 /nfs/dbraw/zinc/54/19/46/504541946.db2.gz HKBWROTWRVXJOK-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)sc1C ZINC000542732388 504591038 /nfs/dbraw/zinc/59/10/38/504591038.db2.gz CHVDCGTUKAKFLU-NSHDSACASA-N -2 0 353.465 3.429 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000539596330 504620387 /nfs/dbraw/zinc/62/03/87/504620387.db2.gz IHSFQUXTEFRHKS-UHFFFAOYSA-N -2 0 358.375 3.149 20 0 FGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CSC ZINC000546073675 504700164 /nfs/dbraw/zinc/70/01/64/504700164.db2.gz BZBOWUHASKQUBM-UHFFFAOYSA-N -2 0 367.448 3.057 20 0 FGADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1c(C)cc(F)cc1C(=O)[O-] ZINC000565518242 504910211 /nfs/dbraw/zinc/91/02/11/504910211.db2.gz HDNXXEAOYGRIQB-UHFFFAOYSA-N -2 0 367.398 3.259 20 0 FGADRL CCCCc1n[n-]c(=NC(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])s1 ZINC000499727730 561557056 /nfs/dbraw/zinc/55/70/56/561557056.db2.gz FNKOUFGROKEVEQ-UHFFFAOYSA-N -2 0 373.438 3.033 20 0 FGADRL CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)CC1 ZINC000392292996 599736512 /nfs/dbraw/zinc/73/65/12/599736512.db2.gz UZMUKSLBACLBBB-UHFFFAOYSA-N -2 0 364.423 3.015 20 0 FGADRL CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC000736448752 599737234 /nfs/dbraw/zinc/73/72/34/599737234.db2.gz QMVJRIWITJTVEZ-UHFFFAOYSA-N -2 0 373.814 3.467 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)o1 ZINC000740187440 599739081 /nfs/dbraw/zinc/73/90/81/599739081.db2.gz KVFRUZVMTQCEQK-UHFFFAOYSA-N -2 0 373.386 3.358 20 0 FGADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)sc1-c1ccccc1 ZINC000738865499 599802211 /nfs/dbraw/zinc/80/22/11/599802211.db2.gz QEQZXWOISSXJCE-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c(F)c1 ZINC000738655223 599851489 /nfs/dbraw/zinc/85/14/89/599851489.db2.gz MYYKVENHOFFCSU-UHFFFAOYSA-N -2 0 369.439 3.253 20 0 FGADRL C[C@](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000736548284 599859670 /nfs/dbraw/zinc/85/96/70/599859670.db2.gz JMENJAVBTWFHRG-HXUWFJFHSA-N -2 0 355.390 3.075 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)ccc1C(=O)[O-] ZINC000170851743 599925356 /nfs/dbraw/zinc/92/53/56/599925356.db2.gz SERAYTBDTARZPF-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C)c1 ZINC000738357214 600229348 /nfs/dbraw/zinc/22/93/48/600229348.db2.gz BQROIIUTHURJGY-UHFFFAOYSA-N -2 0 355.362 3.389 20 0 FGADRL CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736905432 600459368 /nfs/dbraw/zinc/45/93/68/600459368.db2.gz ROGQUWNNSGWEEN-GFCCVEGCSA-N -2 0 373.496 3.248 20 0 FGADRL O=C([O-])CCCOc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000739686622 600497035 /nfs/dbraw/zinc/49/70/35/600497035.db2.gz OYRVWEQFRBTKLS-UHFFFAOYSA-N -2 0 366.373 3.024 20 0 FGADRL CC(C)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C(C)C)c1 ZINC000326785623 600674165 /nfs/dbraw/zinc/67/41/65/600674165.db2.gz PTBPEWYXJZDDDV-UHFFFAOYSA-N -2 0 365.455 3.015 20 0 FGADRL Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)sc2c1 ZINC000105940111 600827026 /nfs/dbraw/zinc/82/70/26/600827026.db2.gz FAUVQCIFJZXZET-UHFFFAOYSA-N -2 0 362.432 3.412 20 0 FGADRL CC(C)c1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c(C(=O)[O-])c1 ZINC000736515480 600892179 /nfs/dbraw/zinc/89/21/79/600892179.db2.gz MHRZQTRRDYTYKE-UHFFFAOYSA-N -2 0 351.428 3.086 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1OC(C)C ZINC000738463863 600898190 /nfs/dbraw/zinc/89/81/90/600898190.db2.gz YLIDXCOIEIJUKT-UHFFFAOYSA-N -2 0 355.437 3.343 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cn2)cc1C(=O)[O-] ZINC000833029651 601229780 /nfs/dbraw/zinc/22/97/80/601229780.db2.gz KNCISQDKWNGVAJ-UHFFFAOYSA-N -2 0 374.374 3.274 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1C(=O)[O-] ZINC000832898478 601233951 /nfs/dbraw/zinc/23/39/51/601233951.db2.gz MFLYJCWMAWJWSA-UHFFFAOYSA-N -2 0 363.313 3.414 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1C(=O)[O-] ZINC000833029164 601235148 /nfs/dbraw/zinc/23/51/48/601235148.db2.gz DISZNTMFZTUNMY-UHFFFAOYSA-N -2 0 362.363 3.106 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c2n1 ZINC000066235497 601328224 /nfs/dbraw/zinc/32/82/24/601328224.db2.gz QPKUZKSJAHQILA-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)nc21 ZINC000007051032 601358024 /nfs/dbraw/zinc/35/80/24/601358024.db2.gz CXPULNQZRPKOOL-UHFFFAOYSA-N -2 0 366.395 3.243 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c1C ZINC000324419010 601358492 /nfs/dbraw/zinc/35/84/92/601358492.db2.gz SVUUJPWZNISLFJ-UHFFFAOYSA-N -2 0 366.464 3.138 20 0 FGADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000828869890 601501838 /nfs/dbraw/zinc/50/18/38/601501838.db2.gz GKTFIJDQFBPBHE-UHFFFAOYSA-N -2 0 361.470 3.002 20 0 FGADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000828869914 601502070 /nfs/dbraw/zinc/50/20/70/601502070.db2.gz HCZVPUGKNPPEIF-UHFFFAOYSA-N -2 0 373.431 3.080 20 0 FGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)c1 ZINC000833334502 601504373 /nfs/dbraw/zinc/50/43/73/601504373.db2.gz QKQUPPSSZLOADG-UHFFFAOYSA-N -2 0 367.452 3.085 20 0 FGADRL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000218857110 601770539 /nfs/dbraw/zinc/77/05/39/601770539.db2.gz GLLQSGGUVKJAAI-UHFFFAOYSA-N -2 0 374.871 3.313 20 0 FGADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000833343967 602116940 /nfs/dbraw/zinc/11/69/40/602116940.db2.gz VILURIZHARRYHJ-UHFFFAOYSA-N -2 0 367.326 3.146 20 0 FGADRL CC(C)Sc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000827076840 602119077 /nfs/dbraw/zinc/11/90/77/602119077.db2.gz IZKVACZGZQRKJS-UHFFFAOYSA-N -2 0 358.466 3.143 20 0 FGADRL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1 ZINC000828611912 602155190 /nfs/dbraw/zinc/15/51/90/602155190.db2.gz JWIUGHOUBQESEM-UHFFFAOYSA-N -2 0 354.453 3.330 20 0 FGADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000761891231 602317468 /nfs/dbraw/zinc/31/74/68/602317468.db2.gz GOEJMUJQYKSXMM-UHFFFAOYSA-N -2 0 371.773 3.181 20 0 FGADRL O=C([O-])N1CCCc2cc([N-]S(=O)(=O)c3c(F)cccc3F)ccc21 ZINC000740523043 602646565 /nfs/dbraw/zinc/64/65/65/602646565.db2.gz CQNFRCMHSSGPFP-UHFFFAOYSA-N -2 0 368.361 3.196 20 0 FGADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000739922669 602652314 /nfs/dbraw/zinc/65/23/14/602652314.db2.gz CJWDKLYZWNYPOH-UHFFFAOYSA-N -2 0 356.787 3.239 20 0 FGADRL O=C([O-])N1CCc2c(cccc2NC(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC000740347750 603243838 /nfs/dbraw/zinc/24/38/38/603243838.db2.gz MABDYTVXIAYSTK-UHFFFAOYSA-N -2 0 360.410 3.086 20 0 FGADRL C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000825245340 604297521 /nfs/dbraw/zinc/29/75/21/604297521.db2.gz NODNUAAWYGEBSF-RKDXNWHRSA-N -2 0 361.225 3.207 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1 ZINC000316618862 604404141 /nfs/dbraw/zinc/40/41/41/604404141.db2.gz KVWSBOQOIVHOPF-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000833503627 604732660 /nfs/dbraw/zinc/73/26/60/604732660.db2.gz GAIXZZRXQFCWJW-OAHLLOKOSA-N -2 0 365.813 3.149 20 0 FGADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000048382919 695876136 /nfs/dbraw/zinc/87/61/36/695876136.db2.gz REHHHJISRQATNJ-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2C#N)cc1 ZINC000328351957 713824718 /nfs/dbraw/zinc/82/47/18/713824718.db2.gz YLHCHLGHCRGDSY-LLVKDONJSA-N -2 0 362.382 3.076 20 0 FGADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000328535489 713824975 /nfs/dbraw/zinc/82/49/75/713824975.db2.gz RUMLREZPBXKJNX-UHFFFAOYSA-N -2 0 371.361 3.251 20 0 FGADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1F ZINC000629332371 716269567 /nfs/dbraw/zinc/26/95/67/716269567.db2.gz IGDRPSAFKLJJED-UHFFFAOYSA-N -2 0 357.359 3.015 20 0 FGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000671663449 721604945 /nfs/dbraw/zinc/60/49/45/721604945.db2.gz MLOFFELGOOUVRJ-UHFFFAOYSA-N -2 0 360.416 3.309 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1Cl ZINC000753772270 722912232 /nfs/dbraw/zinc/91/22/32/722912232.db2.gz ZMWAZLSLOMWNQB-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000753772892 722912297 /nfs/dbraw/zinc/91/22/97/722912297.db2.gz SGFWKECNJUVLOB-UHFFFAOYSA-N -2 0 355.412 3.355 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1C(=O)[O-] ZINC000753777496 722912745 /nfs/dbraw/zinc/91/27/45/722912745.db2.gz GGZQXIREOWDVJT-UHFFFAOYSA-N -2 0 362.382 3.125 20 0 FGADRL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000758951654 722997223 /nfs/dbraw/zinc/99/72/23/722997223.db2.gz UBPBFPZKSGOCOY-UHFFFAOYSA-N -2 0 373.402 3.327 20 0 FGADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000769619925 723690840 /nfs/dbraw/zinc/69/08/40/723690840.db2.gz HBHICOBFWAMPPR-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)s1 ZINC000776742453 724177803 /nfs/dbraw/zinc/17/78/03/724177803.db2.gz JCJNFGMOUSOSTA-UHFFFAOYSA-N -2 0 372.443 3.351 20 0 FGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2F)cc(C(F)(F)F)c1 ZINC000052471856 221038429 /nfs/dbraw/zinc/03/84/29/221038429.db2.gz JWSJPZMIXUVDGX-UHFFFAOYSA-N -2 0 363.288 3.344 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(Br)c1 ZINC000037418432 494105524 /nfs/dbraw/zinc/10/55/24/494105524.db2.gz IMRUVGXGKXPRAO-UHFFFAOYSA-N -2 0 370.224 3.257 20 0 FGADRL O=C([O-])c1csc(-c2cccc(CN=c3[n-]nc(C4CC4)s3)c2)n1 ZINC000573850444 505635097 /nfs/dbraw/zinc/63/50/97/505635097.db2.gz MMOHVXXVKMUMGL-UHFFFAOYSA-N -2 0 358.448 3.271 20 0 FGADRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000066290486 494303586 /nfs/dbraw/zinc/30/35/86/494303586.db2.gz QEHLBGUISGLYSC-UHFFFAOYSA-N -2 0 364.379 3.019 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)cc1 ZINC000055636361 494378534 /nfs/dbraw/zinc/37/85/34/494378534.db2.gz URAJATJQPSOMFG-UHFFFAOYSA-N -2 0 370.386 3.373 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1Cl ZINC000057178045 494668670 /nfs/dbraw/zinc/66/86/70/494668670.db2.gz RLJQWMRXNMUMMZ-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c(C)c1C(=O)[O-] ZINC000156363469 496225143 /nfs/dbraw/zinc/22/51/43/496225143.db2.gz MEZSBTKIWYHMAR-UHFFFAOYSA-N -2 0 365.455 3.045 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1F ZINC000178120407 496337494 /nfs/dbraw/zinc/33/74/94/496337494.db2.gz GUMAYERHTBQBBV-UHFFFAOYSA-N -2 0 369.389 3.436 20 0 FGADRL CC(C)C[C@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)[O-] ZINC000261637583 497424711 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Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2)o1 ZINC000738803551 599974969 /nfs/dbraw/zinc/97/49/69/599974969.db2.gz YWOMMMSEUWRJQN-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000739038367 599982348 /nfs/dbraw/zinc/98/23/48/599982348.db2.gz FMGXBRUKXODLHM-UHFFFAOYSA-N -2 0 364.810 3.331 20 0 FGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000738043770 600057481 /nfs/dbraw/zinc/05/74/81/600057481.db2.gz GZKAZNCEPRNKGW-UHFFFAOYSA-N -2 0 371.436 3.043 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c(F)cc1F ZINC000740089306 600232833 /nfs/dbraw/zinc/23/28/33/600232833.db2.gz DLBUVFGKIIZPQF-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C)c1 ZINC000737202812 600233939 /nfs/dbraw/zinc/23/39/39/600233939.db2.gz GUDUZDNXXFUUED-UHFFFAOYSA-N -2 0 371.361 3.171 20 0 FGADRL C[C@@](CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736548291 600241598 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374.187 3.087 20 0 FGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1Br ZINC000013464617 494288438 /nfs/dbraw/zinc/28/84/38/494288438.db2.gz YNDDEWQWMMXQKH-UHFFFAOYSA-N -2 0 370.224 3.257 20 0 FGADRL CCCc1ccccc1[N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000057117691 494645162 /nfs/dbraw/zinc/64/51/62/494645162.db2.gz JEXIFJHXFGAJJK-UHFFFAOYSA-N -2 0 363.435 3.076 20 0 FGADRL COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])c(Cl)c1 ZINC000568925108 505809233 /nfs/dbraw/zinc/80/92/33/505809233.db2.gz MMQJUJUECDBHBK-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C ZINC000581523431 506006820 /nfs/dbraw/zinc/00/68/20/506006820.db2.gz DLCQWZXVWRVVHZ-NSHDSACASA-N -2 0 365.455 3.278 20 0 FGADRL Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)c2)n1 ZINC000366135478 498792760 /nfs/dbraw/zinc/79/27/60/498792760.db2.gz IZKCDXVYWFVVRS-UHFFFAOYSA-N -2 0 372.402 3.457 20 0 FGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000318182558 498795420 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CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)s1 ZINC000489012414 502859829 /nfs/dbraw/zinc/85/98/29/502859829.db2.gz XMRMVYUTOJOZHO-UHFFFAOYSA-N -2 0 360.844 3.166 20 0 FGADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000509391183 502890717 /nfs/dbraw/zinc/89/07/17/502890717.db2.gz YGEUEMVGAVFPAE-UHFFFAOYSA-N -2 0 374.340 3.216 20 0 FGADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000489773321 503031343 /nfs/dbraw/zinc/03/13/43/503031343.db2.gz RLSFCGHRYOECCQ-UHFFFAOYSA-N -2 0 370.814 3.021 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC000497945942 503071944 /nfs/dbraw/zinc/07/19/44/503071944.db2.gz GJYOUHXGYSLUIK-UHFFFAOYSA-N -2 0 353.421 3.036 20 0 FGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000500320865 503602979 /nfs/dbraw/zinc/60/29/79/503602979.db2.gz DNHACXKGAXJGBW-UHFFFAOYSA-N -2 0 374.187 3.087 20 0 FGADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512726621 503621598 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CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000589437450 506549279 /nfs/dbraw/zinc/54/92/79/506549279.db2.gz OLINDVOXQCPJNF-UHFFFAOYSA-N -2 0 353.371 3.112 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000584220469 507220879 /nfs/dbraw/zinc/22/08/79/507220879.db2.gz TVBGZAYVLGETNI-UHFFFAOYSA-N -2 0 355.799 3.107 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])nn1[C@@H](C)C1CC1 ZINC000584701374 507458600 /nfs/dbraw/zinc/45/86/00/507458600.db2.gz GIZCZTAOXXUTJC-JTQLQIEISA-N -2 0 355.847 3.322 20 0 FGADRL Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)s2)c1 ZINC000630566875 522937014 /nfs/dbraw/zinc/93/70/14/522937014.db2.gz FCSBZOQZFKRAEW-GXTWGEPZSA-N -2 0 374.466 3.396 20 0 FGADRL C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC(C)(C)C1 ZINC000736755770 599728283 /nfs/dbraw/zinc/72/82/83/599728283.db2.gz PNOZEWPOLDCSOY-MNOVXSKESA-N -2 0 373.496 3.104 20 0 FGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000740145218 600054268 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FGADRL C[C@](CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736548289 600241654 /nfs/dbraw/zinc/24/16/54/600241654.db2.gz JOSLHYXJEHRPJO-GOSISDBHSA-N -2 0 361.781 3.409 20 0 FGADRL CC(C)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000736523057 600422649 /nfs/dbraw/zinc/42/26/49/600422649.db2.gz SHBOHRNZGYXTNL-UHFFFAOYSA-N -2 0 362.379 3.044 20 0 FGADRL CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736905434 600459512 /nfs/dbraw/zinc/45/95/12/600459512.db2.gz ROGQUWNNSGWEEN-LBPRGKRZSA-N -2 0 373.496 3.248 20 0 FGADRL O=C([O-])CCCOc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000739686607 600506439 /nfs/dbraw/zinc/50/64/39/600506439.db2.gz OCQGDMLXGLIUIE-UHFFFAOYSA-N -2 0 351.305 3.166 20 0 FGADRL O=C([O-])C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1 ZINC000739627043 600547074 /nfs/dbraw/zinc/54/70/74/600547074.db2.gz BFJJTQCVGYXQIF-CYBMUJFWSA-N -2 0 360.366 3.201 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)o1 ZINC000740177574 600678921 /nfs/dbraw/zinc/67/89/21/600678921.db2.gz KHIOAGLUVFHQSV-UHFFFAOYSA-N -2 0 366.782 3.223 20 0 FGADRL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000826860751 600817721 /nfs/dbraw/zinc/81/77/21/600817721.db2.gz FKQKFPPESKKJPF-UHFFFAOYSA-N -2 0 353.396 3.204 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)ccc1C(=O)[O-] ZINC000832904282 600976598 /nfs/dbraw/zinc/97/65/98/600976598.db2.gz DQAHKKJNXNFSEH-ZDUSSCGKSA-N -2 0 365.455 3.298 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)ccc1C(=O)[O-] ZINC000832904455 600976887 /nfs/dbraw/zinc/97/68/87/600976887.db2.gz OISHHLDIAZFUIC-UHFFFAOYSA-N -2 0 366.464 3.219 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c2cccnc2c1C ZINC000832898109 600988267 /nfs/dbraw/zinc/98/82/67/600988267.db2.gz AMDRNVRYZINZEW-UHFFFAOYSA-N -2 0 374.393 3.490 20 0 FGADRL O=C([O-])c1ccc(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)cc1 ZINC000833313524 601209433 /nfs/dbraw/zinc/20/94/33/601209433.db2.gz XXLUMFQBHVLVMI-UHFFFAOYSA-N -2 0 354.189 3.370 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1C(=O)[O-] ZINC000833029161 601233306 /nfs/dbraw/zinc/23/33/06/601233306.db2.gz DFNMSNUQHAXWCW-UHFFFAOYSA-N -2 0 374.374 3.274 20 0 FGADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000833348046 601235448 /nfs/dbraw/zinc/23/54/48/601235448.db2.gz MJIFSQQRFHFFSQ-UHFFFAOYSA-N -2 0 364.404 3.266 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)c2n1 ZINC000832961799 601329522 /nfs/dbraw/zinc/32/95/22/601329522.db2.gz GEAWMULZCKCUSQ-WQLSENKSSA-N -2 0 368.414 3.442 20 0 FGADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000833345362 601383577 /nfs/dbraw/zinc/38/35/77/601383577.db2.gz WCPHSJQXCMACTC-UHFFFAOYSA-N -2 0 365.169 3.027 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)c1C ZINC000832868259 601395718 /nfs/dbraw/zinc/39/57/18/601395718.db2.gz KGTQWSHPLGRUKB-UHFFFAOYSA-N -2 0 352.412 3.088 20 0 FGADRL CCSc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000830168418 601483748 /nfs/dbraw/zinc/48/37/48/601483748.db2.gz AMLCXZMWDUUUAY-UHFFFAOYSA-N -2 0 372.855 3.346 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c(C)n1 ZINC000832952826 601771378 /nfs/dbraw/zinc/77/13/78/601771378.db2.gz CIAFWIZSSMMAQB-UHFFFAOYSA-N -2 0 374.340 3.216 20 0 FGADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000833297083 601784278 /nfs/dbraw/zinc/78/42/78/601784278.db2.gz DEFMYDHNDBSZOD-UHFFFAOYSA-N -2 0 368.823 3.449 20 0 FGADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1Cl ZINC000832935703 601784714 /nfs/dbraw/zinc/78/47/14/601784714.db2.gz XJYYMNHJMWJTER-UHFFFAOYSA-N -2 0 363.222 3.139 20 0 FGADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000746352270 601830785 /nfs/dbraw/zinc/83/07/85/601830785.db2.gz CRFABZKYUXZMAN-UHFFFAOYSA-N -2 0 371.773 3.181 20 0 FGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751141301 601830825 /nfs/dbraw/zinc/83/08/25/601830825.db2.gz CXZUNGKWXXBPIZ-UHFFFAOYSA-N -2 0 371.361 3.253 20 0 FGADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000165992671 602158395 /nfs/dbraw/zinc/15/83/95/602158395.db2.gz HKAFLRYSJKIVQQ-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000740530210 602246656 /nfs/dbraw/zinc/24/66/56/602246656.db2.gz VYKGEZCWLPNWRU-UHFFFAOYSA-N -2 0 352.799 3.181 20 0 FGADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000739923892 602652709 /nfs/dbraw/zinc/65/27/09/602652709.db2.gz MWXLEMIDBKVASH-UHFFFAOYSA-N -2 0 350.396 3.203 20 0 FGADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000825449307 603402414 /nfs/dbraw/zinc/40/24/14/603402414.db2.gz NSZHNRYPAYBNOY-SECBINFHSA-N -2 0 356.350 3.094 20 0 FGADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000825449605 603402839 /nfs/dbraw/zinc/40/28/39/603402839.db2.gz UTUOKEQZGJXKQQ-JTQLQIEISA-N -2 0 354.815 3.469 20 0 FGADRL O=C([O-])CCc1csc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000833244299 604626031 /nfs/dbraw/zinc/62/60/31/604626031.db2.gz ZFFCOQSXJYNBTF-FPLPWBNLSA-N -2 0 372.855 3.226 20 0 FGADRL CC(C)(C)Sc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833447968 604687311 /nfs/dbraw/zinc/68/73/11/604687311.db2.gz JIYZUMULXMZURZ-UHFFFAOYSA-N -2 0 366.464 3.471 20 0 FGADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000160155997 604792418 /nfs/dbraw/zinc/79/24/18/604792418.db2.gz YTMUUBKVHKQUES-UHFFFAOYSA-N -2 0 371.846 3.144 20 0 FGADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833660030 605168106 /nfs/dbraw/zinc/16/81/06/605168106.db2.gz AOFDLKAGZITACK-UHFFFAOYSA-N -2 0 373.789 3.377 20 0 FGADRL CN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833869086 606050827 /nfs/dbraw/zinc/05/08/27/606050827.db2.gz KMMAWISMSHNTRJ-SJLPKXTDSA-N -2 0 370.405 3.060 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000156272438 705108636 /nfs/dbraw/zinc/10/86/36/705108636.db2.gz HPCUBUADEZEQCK-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000160097506 705244352 /nfs/dbraw/zinc/24/43/52/705244352.db2.gz MKBWNULIFFTRQG-UHFFFAOYSA-N -2 0 363.288 3.401 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1C(=O)[O-] ZINC000190855005 712824952 /nfs/dbraw/zinc/82/49/52/712824952.db2.gz HPJKHDHZAVZYFI-UHFFFAOYSA-N -2 0 362.382 3.125 20 0 FGADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000328364197 713824661 /nfs/dbraw/zinc/82/46/61/713824661.db2.gz UZULSOZHMANZFM-UHFFFAOYSA-N -2 0 371.361 3.171 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000525370612 714347143 /nfs/dbraw/zinc/34/71/43/714347143.db2.gz ZVECMAYGSRRCDV-UHFFFAOYSA-N -2 0 355.799 3.107 20 0 FGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1sccc1C ZINC000525527847 714358717 /nfs/dbraw/zinc/35/87/17/714358717.db2.gz PXMNMYROQRZEOF-UHFFFAOYSA-N -2 0 361.828 3.218 20 0 FGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1)C(=O)[O-] ZINC000634791137 717116298 /nfs/dbraw/zinc/11/62/98/717116298.db2.gz MJQRCNQUBQETBQ-SECBINFHSA-N -2 0 359.350 3.281 20 0 FGADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)c1 ZINC000656630620 719427418 /nfs/dbraw/zinc/42/74/18/719427418.db2.gz ATNRGYROHDIMOU-GOSISDBHSA-N -2 0 369.483 3.322 20 0 FGADRL O=C(Nc1cc(Cl)ccc1O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000673925473 721677217 /nfs/dbraw/zinc/67/72/17/721677217.db2.gz XBIWXJGPDZVUJM-UHFFFAOYSA-N -2 0 365.723 3.467 20 0 FGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000748642819 722699824 /nfs/dbraw/zinc/69/98/24/722699824.db2.gz MNJFOXSTCHNEST-UHFFFAOYSA-N -2 0 361.419 3.073 20 0 FGADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753775478 722912723 /nfs/dbraw/zinc/91/27/23/722912723.db2.gz KKCLJQSXEQQDPJ-UHFFFAOYSA-N -2 0 367.398 3.340 20 0 FGADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759090528 722999319 /nfs/dbraw/zinc/99/93/19/722999319.db2.gz PVAOMQVONBZTSI-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1)C(=O)[O-] ZINC000794767019 723545106 /nfs/dbraw/zinc/54/51/06/723545106.db2.gz KMWHNIATFRDDES-SECBINFHSA-N -2 0 372.855 3.101 20 0 FGADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1)C(=O)[O-] ZINC000794767021 723545116 /nfs/dbraw/zinc/54/51/16/723545116.db2.gz KMWHNIATFRDDES-VIFPVBQESA-N -2 0 372.855 3.101 20 0 FGADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cn1 ZINC000773250349 723780072 /nfs/dbraw/zinc/78/00/72/723780072.db2.gz CQCADDYNYBQZTK-UHFFFAOYSA-N -2 0 371.484 3.151 20 0 FGADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000777661641 724248732 /nfs/dbraw/zinc/24/87/32/724248732.db2.gz RWCCESFFCSXLFF-UHFFFAOYSA-N -2 0 360.844 3.166 20 0 FGADRL O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000821106113 729058003 /nfs/dbraw/zinc/05/80/03/729058003.db2.gz CYSCAYPHLWALEJ-UHFFFAOYSA-N -2 0 362.794 3.387 20 0 FGADRL O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000821106977 729058563 /nfs/dbraw/zinc/05/85/63/729058563.db2.gz QAGJILVXAWSTAV-UHFFFAOYSA-N -2 0 362.794 3.387 20 0 FGADRL CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(F)F ZINC000840889049 730188280 /nfs/dbraw/zinc/18/82/80/730188280.db2.gz AGAIMOJRWSICOW-MRVPVSSYSA-N -2 0 362.181 3.014 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnc1C(F)F ZINC000901988259 743693706 /nfs/dbraw/zinc/69/37/06/743693706.db2.gz BTXPYRYJVYFMGQ-UHFFFAOYSA-N -2 0 370.377 3.146 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)cs1 ZINC000070156377 494041588 /nfs/dbraw/zinc/04/15/88/494041588.db2.gz FDGYTCIHJGECQI-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C)c3)c2n1 ZINC000084920494 494104832 /nfs/dbraw/zinc/10/48/32/494104832.db2.gz KYONZNANVGTKHL-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2F)ccc1Br ZINC000132380653 494865537 /nfs/dbraw/zinc/86/55/37/494865537.db2.gz FPBRVUQRQGYRDR-UHFFFAOYSA-N -2 0 374.187 3.087 20 0 FGADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000183348324 495940976 /nfs/dbraw/zinc/94/09/76/495940976.db2.gz OVLYGSZSPKODRN-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000181769994 496536629 /nfs/dbraw/zinc/53/66/29/496536629.db2.gz VFALHZYMDVGHMX-SNVBAGLBSA-N -2 0 355.362 3.344 20 0 FGADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000187721778 496546650 /nfs/dbraw/zinc/54/66/50/496546650.db2.gz OQUVIFNBQUJGHR-VIFPVBQESA-N -2 0 369.830 3.007 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c1C ZINC000164587226 496620900 /nfs/dbraw/zinc/62/09/00/496620900.db2.gz YEFTYWINRAIXFC-UHFFFAOYSA-N -2 0 365.455 3.045 20 0 FGADRL COc1ccc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])cc1C ZINC000281981871 498343666 /nfs/dbraw/zinc/34/36/66/498343666.db2.gz VALQMOVNLJWTAV-UHFFFAOYSA-N -2 0 363.435 3.212 20 0 FGADRL Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cnn1C1CCCC1 ZINC000331930675 498503639 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CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1)C(=O)[O-] ZINC000463780356 501819831 /nfs/dbraw/zinc/81/98/31/501819831.db2.gz YAJBIKJSVWRFHS-CYBMUJFWSA-N -2 0 373.434 3.017 20 0 FGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1OC(C)C ZINC000463791053 501822834 /nfs/dbraw/zinc/82/28/34/501822834.db2.gz WARVLNMSJLWDRT-UHFFFAOYSA-N -2 0 371.436 3.043 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)C2CCC2)cc1 ZINC000486092504 502043955 /nfs/dbraw/zinc/04/39/55/502043955.db2.gz ZFOYWQJCQUKAPK-UHFFFAOYSA-N -2 0 363.391 3.070 20 0 FGADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476279135 502441196 /nfs/dbraw/zinc/44/11/96/502441196.db2.gz UCZYASYCCRZLOI-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@@H](C)CC)c1C ZINC000480232129 502508829 /nfs/dbraw/zinc/50/88/29/502508829.db2.gz XFAOXNCOCMXBHH-NSHDSACASA-N -2 0 365.455 3.224 20 0 FGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000477420933 502769882 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O=C([O-])c1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1Cl ZINC000534974488 504298513 /nfs/dbraw/zinc/29/85/13/504298513.db2.gz RXBBVMLYHAHZFQ-UHFFFAOYSA-N -2 0 358.828 3.173 20 0 FGADRL CC(C)c1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)[C@H](C)C(F)(F)F)cc1 ZINC000548213201 504369239 /nfs/dbraw/zinc/36/92/39/504369239.db2.gz ODRAZMLFRQIJRT-MFKMUULPSA-N -2 0 367.389 3.196 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000548210421 504369394 /nfs/dbraw/zinc/36/93/94/504369394.db2.gz RPDMYZADMBHMRZ-UHFFFAOYSA-N -2 0 358.375 3.149 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)cc1C(=O)[O-] ZINC000548283155 504386098 /nfs/dbraw/zinc/38/60/98/504386098.db2.gz HKAYYBAEQGTWJE-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000535890756 504573432 /nfs/dbraw/zinc/57/34/32/504573432.db2.gz BSUPPTPAEHUMCO-UHFFFAOYSA-N -2 0 367.398 3.259 20 0 FGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000535891520 504573501 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FGADRL Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000584698604 507457038 /nfs/dbraw/zinc/45/70/38/507457038.db2.gz YCQNCQKXNHKVCX-UHFFFAOYSA-N -2 0 351.449 3.434 20 0 FGADRL CSCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000738194580 599740482 /nfs/dbraw/zinc/74/04/82/599740482.db2.gz FUAQMGNPKHGEAD-UHFFFAOYSA-N -2 0 369.439 3.230 20 0 FGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000195446008 599849925 /nfs/dbraw/zinc/84/99/25/599849925.db2.gz QYRWMJCZFHAKOQ-UHFFFAOYSA-N -2 0 365.169 3.027 20 0 FGADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000737732786 599982365 /nfs/dbraw/zinc/98/23/65/599982365.db2.gz FYMWLJUQSYJANB-SECBINFHSA-N -2 0 353.396 3.103 20 0 FGADRL Cc1ccc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1C ZINC000736744464 599987921 /nfs/dbraw/zinc/98/79/21/599987921.db2.gz AEWLQDQRRUIIFB-GOSISDBHSA-N -2 0 374.437 3.373 20 0 FGADRL CCC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736931865 599988089 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Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000126857044 700753568 /nfs/dbraw/zinc/75/35/68/700753568.db2.gz DMSDRZNATFGACG-UHFFFAOYSA-N -2 0 370.814 3.321 20 0 FGADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000126954904 700755151 /nfs/dbraw/zinc/75/51/51/700755151.db2.gz DZLUFTNXIPXZBO-UHFFFAOYSA-N -2 0 374.777 3.152 20 0 FGADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000327508266 713823073 /nfs/dbraw/zinc/82/30/73/713823073.db2.gz OQLCNEYQRYOXMZ-UHFFFAOYSA-N -2 0 367.398 3.340 20 0 FGADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000392315065 713989628 /nfs/dbraw/zinc/98/96/28/713989628.db2.gz IHPQBKSLEPEBOJ-UHFFFAOYSA-N -2 0 371.846 3.168 20 0 FGADRL O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000643121702 718008063 /nfs/dbraw/zinc/00/80/63/718008063.db2.gz YWKIANYUNQSPOI-UHFFFAOYSA-N -2 0 369.317 3.405 20 0 FGADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000780416989 724464808 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FGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000759170122 723000894 /nfs/dbraw/zinc/00/08/94/723000894.db2.gz ZYCNFHJLXKCXJF-UHFFFAOYSA-N -2 0 373.789 3.377 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2CCO3)c1Cl ZINC000794607184 723534594 /nfs/dbraw/zinc/53/45/94/723534594.db2.gz HFNPSAYXLQIDKO-UHFFFAOYSA-N -2 0 367.810 3.082 20 0 FGADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1C ZINC000775679172 724022855 /nfs/dbraw/zinc/02/28/55/724022855.db2.gz PKQQAPIAKNWBOT-SNVBAGLBSA-N -2 0 369.418 3.109 20 0 FGADRL O=C([O-])[C@@H]1CCc2sc(NC(=O)c3cc(F)c([O-])c(Cl)c3)nc2C1 ZINC000910676361 756995410 /nfs/dbraw/zinc/99/54/10/756995410.db2.gz DOTDWOZDXQHMKZ-ZCFIWIBFSA-N -2 0 370.789 3.083 20 0 FGADRL CCC[C@H](CCCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000570767821 505575754 /nfs/dbraw/zinc/57/57/54/505575754.db2.gz KVTMUHPWYYNLLV-SNVBAGLBSA-N -2 0 367.389 3.053 20 0 FGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000580222511 505707491 /nfs/dbraw/zinc/70/74/91/505707491.db2.gz BFJSADPQQKXKAA-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000054294732 494218225 /nfs/dbraw/zinc/21/82/25/494218225.db2.gz NAAYVOCVXJUAJM-UHFFFAOYSA-N -2 0 369.826 3.085 20 0 FGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000066585380 494359157 /nfs/dbraw/zinc/35/91/57/494359157.db2.gz JJLISVBKLIANDJ-UHFFFAOYSA-N -2 0 351.428 3.086 20 0 FGADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000126538534 494783343 /nfs/dbraw/zinc/78/33/43/494783343.db2.gz AAAKVUQLFAUTCM-UHFFFAOYSA-N -2 0 372.402 3.457 20 0 FGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000174729720 496080157 /nfs/dbraw/zinc/08/01/57/496080157.db2.gz OHHQRYODFMZHRS-UHFFFAOYSA-N -2 0 355.362 3.128 20 0 FGADRL CCc1ccc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1C(=O)[O-] ZINC000152951718 496305398 /nfs/dbraw/zinc/30/53/98/496305398.db2.gz MIKIKEWOENIPTM-UHFFFAOYSA-N -2 0 371.418 3.138 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c(Cl)c1 ZINC000178378478 496433333 /nfs/dbraw/zinc/43/33/33/496433333.db2.gz RLSJPTZTDOSHIT-UHFFFAOYSA-N -2 0 368.823 3.449 20 0 FGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)C(=O)[O-] ZINC000184656546 496481717 /nfs/dbraw/zinc/48/17/17/496481717.db2.gz CRTBTGYODNIYAR-ZDUSSCGKSA-N -2 0 370.430 3.299 20 0 FGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000184658233 496481790 /nfs/dbraw/zinc/48/17/90/496481790.db2.gz VDGALKRQXORFLR-LBPRGKRZSA-N -2 0 351.399 3.198 20 0 FGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1 ZINC000164978756 496642559 /nfs/dbraw/zinc/64/25/59/496642559.db2.gz JRVYLKVAIKXFHQ-UHFFFAOYSA-N -2 0 372.377 3.387 20 0 FGADRL Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])ccc1C(=O)[O-] ZINC000237843705 497300583 /nfs/dbraw/zinc/30/05/83/497300583.db2.gz QPRHPDLOFDOMTF-UHFFFAOYSA-N -2 0 369.352 3.284 20 0 FGADRL Cc1cc(C(=O)Nc2ccccc2NC(C)(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000277279864 497793785 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Cc1cnc2c(cccc2S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c1 ZINC000327795146 498862796 /nfs/dbraw/zinc/86/27/96/498862796.db2.gz DOXKXPJERMYZCS-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ncsc2C(C)C)cc1C(=O)[O-] ZINC000288225827 498971268 /nfs/dbraw/zinc/97/12/68/498971268.db2.gz NCIXVIQBTXZOFO-UHFFFAOYSA-N -2 0 358.416 3.213 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cncc3ccccc32)c1C ZINC000396434921 499563307 /nfs/dbraw/zinc/56/33/07/499563307.db2.gz ZHLHMWQERXBXLN-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL CC(C)Oc1c([N-]S(=O)(=O)c2cc(F)ccc2F)cccc1C(=O)[O-] ZINC000410400934 499660321 /nfs/dbraw/zinc/66/03/21/499660321.db2.gz KNXXVNKMUCOMQZ-UHFFFAOYSA-N -2 0 371.361 3.251 20 0 FGADRL CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000410405888 499660850 /nfs/dbraw/zinc/66/08/50/499660850.db2.gz ZUNFVQXPWFYWPB-UHFFFAOYSA-N -2 0 354.453 3.458 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1C(=O)[O-] ZINC000440822122 501052922 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FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(C(=O)[O-])c1 ZINC000471906555 502168757 /nfs/dbraw/zinc/16/87/57/502168757.db2.gz QPHGGAWITFXRPW-UHFFFAOYSA-N -2 0 362.382 3.423 20 0 FGADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000468792217 502185581 /nfs/dbraw/zinc/18/55/81/502185581.db2.gz BTVPHGUJKGFLNN-UHFFFAOYSA-N -2 0 365.407 3.023 20 0 FGADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C(C)C ZINC000480235188 502508599 /nfs/dbraw/zinc/50/85/99/502508599.db2.gz YCDGUHBXVDWXJH-UHFFFAOYSA-N -2 0 371.484 3.367 20 0 FGADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000484081142 502564826 /nfs/dbraw/zinc/56/48/26/502564826.db2.gz RLOSDBNADUQPCB-UHFFFAOYSA-N -2 0 353.371 3.112 20 0 FGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477422485 502770720 /nfs/dbraw/zinc/77/07/20/502770720.db2.gz JYSMHFUPISFBSD-UHFFFAOYSA-N -2 0 371.361 3.404 20 0 FGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000513431487 502937515 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COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000533690977 503923418 /nfs/dbraw/zinc/92/34/18/503923418.db2.gz ZMUZVIBBNAEIKC-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL O=C([O-])c1cc(/C=C/c2ccc(/C=C\c3cc(C(=O)[O-])ncn3)cc2)ncn1 ZINC000534143963 504053928 /nfs/dbraw/zinc/05/39/28/504053928.db2.gz LCDVYQGXHSVPQJ-CGXWXWIYSA-N -2 0 374.356 3.004 20 0 FGADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000547869658 504254717 /nfs/dbraw/zinc/25/47/17/504254717.db2.gz KRWHGWFEUCEPJX-RXMQYKEDSA-N -2 0 365.251 3.096 20 0 FGADRL O=C([O-])c1ccc(-c2nc(=O)c3snc(-c4ccccc4)c3[n-]2)s1 ZINC000548030151 504303403 /nfs/dbraw/zinc/30/34/03/504303403.db2.gz VTTGHFNQGJALMB-UHFFFAOYSA-N -2 0 355.400 3.473 20 0 FGADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc1 ZINC000535780854 504542230 /nfs/dbraw/zinc/54/22/30/504542230.db2.gz QJWRBRRVUVTZTE-UHFFFAOYSA-N -2 0 374.443 3.238 20 0 FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)o2)c(C(=O)[O-])c1 ZINC000546072497 504698649 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COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000435732431 501019753 /nfs/dbraw/zinc/01/97/53/501019753.db2.gz QEYQIOMLMUMCAE-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000450986253 501236971 /nfs/dbraw/zinc/23/69/71/501236971.db2.gz NVDQENDHWQLKET-UHFFFAOYSA-N -2 0 371.842 3.180 20 0 FGADRL CCn1ncc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1C(F)(F)F ZINC000451048658 501241802 /nfs/dbraw/zinc/24/18/02/501241802.db2.gz XHGAYAFQDGRUQQ-UHFFFAOYSA-N -2 0 369.752 3.082 20 0 FGADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)c1 ZINC000451049596 501241980 /nfs/dbraw/zinc/24/19/80/501241980.db2.gz JJGXSCJMWDGUIT-SFHVURJKSA-N -2 0 363.435 3.114 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1C(=O)[O-] ZINC000474303924 501783138 /nfs/dbraw/zinc/78/31/38/501783138.db2.gz KYIZNVDASXHGMA-UHFFFAOYSA-N -2 0 371.361 3.138 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC000464562539 502027503 /nfs/dbraw/zinc/02/75/03/502027503.db2.gz XIDJOGGCHKGPBN-UHFFFAOYSA-N -2 0 361.419 3.073 20 0 FGADRL CSc1ccccc1S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000479200923 502191622 /nfs/dbraw/zinc/19/16/22/502191622.db2.gz YAEXMYMSBCOQIC-LBPRGKRZSA-N -2 0 365.476 3.473 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000479568071 502299373 /nfs/dbraw/zinc/29/93/73/502299373.db2.gz PIQLHEUNQXAJRE-UHFFFAOYSA-N -2 0 363.435 3.497 20 0 FGADRL CC(C)(C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1O ZINC000479570382 502300403 /nfs/dbraw/zinc/30/04/03/502300403.db2.gz VWCBZAQLLOVENP-UHFFFAOYSA-N -2 0 355.437 3.250 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000462100492 502306098 /nfs/dbraw/zinc/30/60/98/502306098.db2.gz HAXWSJQUZWITDL-UHFFFAOYSA-N -2 0 371.361 3.171 20 0 FGADRL CCCCn1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C(C)C ZINC000480195221 502497664 /nfs/dbraw/zinc/49/76/64/502497664.db2.gz BPSOXKMUXVHXTB-UHFFFAOYSA-N -2 0 371.484 3.367 20 0 FGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000498020355 503089199 /nfs/dbraw/zinc/08/91/99/503089199.db2.gz JHHKOXKBIISODO-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)sc1C(=O)[O-] ZINC000499236382 503362432 /nfs/dbraw/zinc/36/24/32/503362432.db2.gz XEHRMCHLQJHZIL-UHFFFAOYSA-N -2 0 354.434 3.165 20 0 FGADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000540698947 503858809 /nfs/dbraw/zinc/85/88/09/503858809.db2.gz ZKFBNWPGURWRFW-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000540696416 503858946 /nfs/dbraw/zinc/85/89/46/503858946.db2.gz ODVQPUKYHHPEPI-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC000519041559 504126588 /nfs/dbraw/zinc/12/65/88/504126588.db2.gz XVCWFIBYQAWMLG-UHFFFAOYSA-N -2 0 369.826 3.294 20 0 FGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1 ZINC000541930808 504306883 /nfs/dbraw/zinc/30/68/83/504306883.db2.gz HWMXNDHKAGZZLX-UHFFFAOYSA-N -2 0 351.399 3.342 20 0 FGADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3C)c2n1 ZINC000548210863 504369186 /nfs/dbraw/zinc/36/91/86/504369186.db2.gz PRIRBEJHUGOZHK-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000548211871 504369434 /nfs/dbraw/zinc/36/94/34/504369434.db2.gz MEMNUUYSXDIKJJ-RXMQYKEDSA-N -2 0 365.251 3.096 20 0 FGADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1C ZINC000535343099 504408737 /nfs/dbraw/zinc/40/87/37/504408737.db2.gz BERRFAKFTHXGLK-UHFFFAOYSA-N -2 0 353.421 3.067 20 0 FGADRL Cc1cccc([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c32)c1C(=O)[O-] ZINC000548525455 504477290 /nfs/dbraw/zinc/47/72/90/504477290.db2.gz CECYERQPAUCAOE-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL CCc1nc2cc(S(=O)(=O)[N-]c3cc(F)ccc3C(=O)[O-])ccc2o1 ZINC000548538465 504479020 /nfs/dbraw/zinc/47/90/20/504479020.db2.gz HFMNVYGPJOEJQY-UHFFFAOYSA-N -2 0 364.354 3.028 20 0 FGADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C(=O)[O-])c1 ZINC000548566963 504483236 /nfs/dbraw/zinc/48/32/36/504483236.db2.gz WHUGRXVSWOKVMR-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1C ZINC000539397443 504556465 /nfs/dbraw/zinc/55/64/65/504556465.db2.gz MOQDVEIFIQDOKY-LLVKDONJSA-N -2 0 365.455 3.278 20 0 FGADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc12 ZINC000521241391 504690947 /nfs/dbraw/zinc/69/09/47/504690947.db2.gz IMOCGGKERUJBRJ-UHFFFAOYSA-N -2 0 350.783 3.320 20 0 FGADRL O=C(N=c1[n-]nc(C2CCOCC2)s1)c1cc2cc(Cl)sc2[nH]1 ZINC000567267464 505413562 /nfs/dbraw/zinc/41/35/62/505413562.db2.gz XKNSHKYZFLCHCB-UHFFFAOYSA-N -2 0 368.871 3.303 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000319912074 599734917 /nfs/dbraw/zinc/73/49/17/599734917.db2.gz DGSPRYATCWWPED-UHFFFAOYSA-N -2 0 369.704 3.451 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)c(Br)cc1F ZINC000135324912 599922909 /nfs/dbraw/zinc/92/29/09/599922909.db2.gz BXFGCQWHYPYLFC-UHFFFAOYSA-N -2 0 374.187 3.087 20 0 FGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000320412168 599965882 /nfs/dbraw/zinc/96/58/82/599965882.db2.gz HXAHTGCQQVYUJU-UHFFFAOYSA-N -2 0 354.453 3.248 20 0 FGADRL CSCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000738194945 600100758 /nfs/dbraw/zinc/10/07/58/600100758.db2.gz MYNLLVIGCLOOSQ-UHFFFAOYSA-N -2 0 355.412 3.188 20 0 FGADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000739375318 600103327 /nfs/dbraw/zinc/10/33/27/600103327.db2.gz GPZCUQDCABHYQN-LBPRGKRZSA-N -2 0 354.189 3.125 20 0 FGADRL CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000736294273 600465238 /nfs/dbraw/zinc/46/52/38/600465238.db2.gz MRWPTRQEYSNTMR-NXEZZACHSA-N -2 0 351.424 3.349 20 0 FGADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1Cl ZINC000738605189 600515289 /nfs/dbraw/zinc/51/52/89/600515289.db2.gz QUYMZUQTRHYHTC-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000826113282 600669066 /nfs/dbraw/zinc/66/90/66/600669066.db2.gz GYCGKRPQRJGVCY-INIZCTEOSA-N -2 0 355.390 3.246 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1 ZINC000524852640 600694268 /nfs/dbraw/zinc/69/42/68/600694268.db2.gz JMMISUHYJRSVSI-UHFFFAOYSA-N -2 0 365.382 3.114 20 0 FGADRL COc1cc(C(=O)[O-])cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1OC ZINC000831908921 600970778 /nfs/dbraw/zinc/97/07/78/600970778.db2.gz QNNKWZKIEHKMAD-UHFFFAOYSA-N -2 0 374.374 3.084 20 0 FGADRL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000826763614 600975924 /nfs/dbraw/zinc/97/59/24/600975924.db2.gz GZGHEIGPDYDAQV-SNVBAGLBSA-N -2 0 357.457 3.051 20 0 FGADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC000833334755 600983285 /nfs/dbraw/zinc/98/32/85/600983285.db2.gz JJTCQMRFLFRYIM-UHFFFAOYSA-N -2 0 368.370 3.480 20 0 FGADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000826763935 601358278 /nfs/dbraw/zinc/35/82/78/601358278.db2.gz MAJMPNRICXPSJK-NSHDSACASA-N -2 0 369.418 3.128 20 0 FGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000832933984 601363254 /nfs/dbraw/zinc/36/32/54/601363254.db2.gz GHBULKXNYBFIOR-UHFFFAOYSA-N -2 0 372.443 3.387 20 0 FGADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])s1 ZINC000828870275 601501591 /nfs/dbraw/zinc/50/15/91/601501591.db2.gz MKOMJSFUJQLXIE-UHFFFAOYSA-N -2 0 373.456 3.151 20 0 FGADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000828870633 601501647 /nfs/dbraw/zinc/50/16/47/601501647.db2.gz SQCBBURRMJLAQG-UHFFFAOYSA-N -2 0 361.470 3.002 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c(C)n1 ZINC000325617543 601771030 /nfs/dbraw/zinc/77/10/30/601771030.db2.gz SHUMDFIVNGWRJM-UHFFFAOYSA-N -2 0 362.432 3.412 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)o1 ZINC000833323391 601832029 /nfs/dbraw/zinc/83/20/29/601832029.db2.gz KCLTVJKTJAZDQC-UHFFFAOYSA-N -2 0 363.313 3.274 20 0 FGADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n[nH]1 ZINC000829216635 602102549 /nfs/dbraw/zinc/10/25/49/602102549.db2.gz QBDAUGDAVOXFSR-QMMMGPOBSA-N -2 0 373.381 3.091 20 0 FGADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000833343374 602118417 /nfs/dbraw/zinc/11/84/17/602118417.db2.gz BNRWCSRUBGHVLW-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000677235054 602322385 /nfs/dbraw/zinc/32/23/85/602322385.db2.gz WAVQHNJPCSMWHZ-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000740148265 602646491 /nfs/dbraw/zinc/64/64/91/602646491.db2.gz UFESRYANDIQEKR-UHFFFAOYSA-N -2 0 352.437 3.288 20 0 FGADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000739924081 602652656 /nfs/dbraw/zinc/65/26/56/602652656.db2.gz PBBWCRIWXQHPNG-UHFFFAOYSA-N -2 0 362.407 3.075 20 0 FGADRL O=C([O-])COc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1Cl ZINC000833255498 604793506 /nfs/dbraw/zinc/79/35/06/604793506.db2.gz HVKICZJHIKBCRZ-UHFFFAOYSA-N -2 0 369.801 3.167 20 0 FGADRL O=C([O-])CSCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000833262016 604998859 /nfs/dbraw/zinc/99/88/59/604998859.db2.gz OJANTEHSZIMXEE-UHFFFAOYSA-N -2 0 365.838 3.260 20 0 FGADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC000833733998 605240731 /nfs/dbraw/zinc/24/07/31/605240731.db2.gz YKRGEYMOLGICCI-UHFFFAOYSA-N -2 0 365.407 3.023 20 0 FGADRL CC[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC[C@H]1NC(=O)[O-] ZINC000833848315 605377911 /nfs/dbraw/zinc/37/79/11/605377911.db2.gz AGPMBCNXOQYJLO-GZMMTYOYSA-N -2 0 361.225 3.207 20 0 FGADRL O=C([O-])N[C@@H](CCC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccccc1 ZINC000834137221 606034254 /nfs/dbraw/zinc/03/42/54/606034254.db2.gz JVJYWCVSIIQPER-INIZCTEOSA-N -2 0 368.389 3.063 20 0 FGADRL O=C([O-])C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000834060261 606069334 /nfs/dbraw/zinc/06/93/34/606069334.db2.gz HDUZOMHCEICAGS-AWEZNQCLSA-N -2 0 362.769 3.376 20 0 FGADRL N#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000013341098 695610028 /nfs/dbraw/zinc/61/00/28/695610028.db2.gz CQPZZXKMZXGQLX-UHFFFAOYSA-N -2 0 371.201 3.364 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1Cl ZINC000156304802 705110362 /nfs/dbraw/zinc/11/03/62/705110362.db2.gz WZBJOROWLIOHBQ-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000182496289 705846955 /nfs/dbraw/zinc/84/69/55/705846955.db2.gz GOVUJUZPEXJKDO-UHFFFAOYSA-N -2 0 363.178 3.408 20 0 FGADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000193495351 712893356 /nfs/dbraw/zinc/89/33/56/712893356.db2.gz GZHKMDYCTLEVNU-UHFFFAOYSA-N -2 0 366.826 3.031 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(Cl)c(C)c1 ZINC000322989507 713813763 /nfs/dbraw/zinc/81/37/63/713813763.db2.gz HDBNMGWFZLCGQO-UHFFFAOYSA-N -2 0 354.815 3.105 20 0 FGADRL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000523726941 714249469 /nfs/dbraw/zinc/24/94/69/714249469.db2.gz WQKUTOXOFKGFPZ-UHFFFAOYSA-N -2 0 355.437 3.424 20 0 FGADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000675548942 721760454 /nfs/dbraw/zinc/76/04/54/721760454.db2.gz AQXJTFYBZPYRTQ-UHFFFAOYSA-N -2 0 371.846 3.168 20 0 FGADRL COc1ccc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])c(F)c1 ZINC000682896823 722270776 /nfs/dbraw/zinc/27/07/76/722270776.db2.gz UNJCTMWFBPNXEY-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c(C)c1 ZINC000753775016 722912710 /nfs/dbraw/zinc/91/27/10/722912710.db2.gz PYTHGXDOCYIWIQ-UHFFFAOYSA-N -2 0 367.398 3.340 20 0 FGADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1F ZINC000775294062 723978432 /nfs/dbraw/zinc/97/84/32/723978432.db2.gz GXQMBMQGJVDIOK-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL CSc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000775678691 724022655 /nfs/dbraw/zinc/02/26/55/724022655.db2.gz ILDSOVCXVXCTEZ-UHFFFAOYSA-N -2 0 355.412 3.355 20 0 FGADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000806633254 725138570 /nfs/dbraw/zinc/13/85/70/725138570.db2.gz JFBCCXQMHJOZFB-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)c1 ZINC000903523337 743857582 /nfs/dbraw/zinc/85/75/82/743857582.db2.gz UEYPOURODFRATD-LBPRGKRZSA-N -2 0 370.377 3.110 20 0 FGADRL O=C([O-])C1(C(F)(F)F)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000911022289 757092681 /nfs/dbraw/zinc/09/26/81/757092681.db2.gz MSFMJZYSTXSNSR-UHFFFAOYSA-N -2 0 369.698 3.054 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)c2n1 ZINC000066235505 494292146 /nfs/dbraw/zinc/29/21/46/494292146.db2.gz PLMBOCWMJHPNBX-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)ccc1C ZINC000055311883 494325308 /nfs/dbraw/zinc/32/53/08/494325308.db2.gz SBXXKVCGEGMBJH-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000066587704 494360739 /nfs/dbraw/zinc/36/07/39/494360739.db2.gz QXUFAPWSLXJBRF-UHFFFAOYSA-N -2 0 353.421 3.202 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)sc1C(=O)[O-] ZINC000045946201 494478562 /nfs/dbraw/zinc/47/85/62/494478562.db2.gz YYKIETQRVCQFTL-UHFFFAOYSA-N -2 0 356.812 3.081 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000173575809 495595532 /nfs/dbraw/zinc/59/55/32/495595532.db2.gz GUGDAZCQKKIKIB-UHFFFAOYSA-N -2 0 363.313 3.192 20 0 FGADRL Cc1cc(C(=O)Nc2ccccc2-c2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151473066 495851407 /nfs/dbraw/zinc/85/14/07/495851407.db2.gz GFOLCNQJCMRCEE-UHFFFAOYSA-N -2 0 372.384 3.251 20 0 FGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185231919 496712442 /nfs/dbraw/zinc/71/24/42/496712442.db2.gz SZWVJOLSPFPOAF-UHFFFAOYSA-N -2 0 370.308 3.084 20 0 FGADRL Cc1cc(C(=O)N2CCC(C)(C)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000288903336 497936506 /nfs/dbraw/zinc/93/65/06/497936506.db2.gz JRDKZWGROCDKBR-UHFFFAOYSA-N -2 0 364.405 3.073 20 0 FGADRL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000324855722 498831645 /nfs/dbraw/zinc/83/16/45/498831645.db2.gz GNDTWDZDVGCYJT-SNVBAGLBSA-N -2 0 353.396 3.264 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)c[nH]1 ZINC000326660590 498846817 /nfs/dbraw/zinc/84/68/17/498846817.db2.gz FCCPKQWQQHPCSJ-UHFFFAOYSA-N -2 0 356.359 3.413 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c(F)c1 ZINC000327271894 498854529 /nfs/dbraw/zinc/85/45/29/498854529.db2.gz SVIXUMYBBOQWBN-UHFFFAOYSA-N -2 0 360.366 3.115 20 0 FGADRL COc1cc(OC)cc(-c2cccc(-n3[n-]c(C)c(CC(=O)[O-])c3=O)c2)c1 ZINC000570345278 506146316 /nfs/dbraw/zinc/14/63/16/506146316.db2.gz IOKDBZSXDKGIFK-GOSISDBHSA-N -2 0 368.389 3.184 20 0 FGADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000391635198 499557281 /nfs/dbraw/zinc/55/72/81/499557281.db2.gz HTAGTVLKMGIONE-UHFFFAOYSA-N -2 0 353.371 3.032 20 0 FGADRL Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3c(F)ccc(O)c3F)c2)n1 ZINC000377550565 499703542 /nfs/dbraw/zinc/70/35/42/499703542.db2.gz PMWSMLRRXKPFFN-UHFFFAOYSA-N -2 0 357.316 3.394 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)nn1C(C)C ZINC000421176023 499983400 /nfs/dbraw/zinc/98/34/00/499983400.db2.gz RBQMFQSWYQWPCJ-UHFFFAOYSA-N -2 0 365.455 3.395 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc(C)c1Cl ZINC000442251384 500575806 /nfs/dbraw/zinc/57/58/06/500575806.db2.gz MZOQEDNUNFLLOB-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1OC ZINC000447795162 500663352 /nfs/dbraw/zinc/66/33/52/500663352.db2.gz MRQDDDMDOBEQMX-UHFFFAOYSA-N -2 0 361.778 3.003 20 0 FGADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000433495338 500704491 /nfs/dbraw/zinc/70/44/91/500704491.db2.gz DYISJIANBRMSBV-UHFFFAOYSA-N -2 0 373.839 3.267 20 0 FGADRL Cc1cccc(-c2n[nH]cc2C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)c1 ZINC000443457000 500727349 /nfs/dbraw/zinc/72/73/49/500727349.db2.gz UHWBUFBFPKIJRH-VURMDHGXSA-N -2 0 364.405 3.377 20 0 FGADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000436676368 501186100 /nfs/dbraw/zinc/18/61/00/501186100.db2.gz ZOCXYHKHIVCJLD-UHFFFAOYSA-N -2 0 353.827 3.233 20 0 FGADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000447118476 501206315 /nfs/dbraw/zinc/20/63/15/501206315.db2.gz GCMADUJJHFJBQB-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)sc1C(=O)[O-] ZINC000451090386 501244858 /nfs/dbraw/zinc/24/48/58/501244858.db2.gz OLTULAXLKIFMDN-UHFFFAOYSA-N -2 0 355.437 3.343 20 0 FGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2scnc2C(C)C)c1 ZINC000451106770 501246343 /nfs/dbraw/zinc/24/63/43/501246343.db2.gz ZKUXVBQIRBAHQD-UHFFFAOYSA-N -2 0 358.416 3.213 20 0 FGADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000476493119 502504036 /nfs/dbraw/zinc/50/40/36/502504036.db2.gz RXTQOKDZLAXWMV-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000484959486 502787160 /nfs/dbraw/zinc/78/71/60/502787160.db2.gz LAKIXWYVJAJDCY-UHFFFAOYSA-N -2 0 371.361 3.251 20 0 FGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000484965238 502788930 /nfs/dbraw/zinc/78/89/30/502788930.db2.gz AUUQTWGPARVNIS-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000484970260 502790058 /nfs/dbraw/zinc/79/00/58/502790058.db2.gz MERBEXVQPDFBGE-UHFFFAOYSA-N -2 0 355.437 3.344 20 0 FGADRL Cc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000484979758 502791676 /nfs/dbraw/zinc/79/16/76/502791676.db2.gz LINOGSOHHPAWAU-UHFFFAOYSA-N -2 0 355.437 3.343 20 0 FGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000505126397 502855300 /nfs/dbraw/zinc/85/53/00/502855300.db2.gz YHOGWEYXYRHJGT-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)ccc1C(=O)[O-] ZINC000506638808 503148091 /nfs/dbraw/zinc/14/80/91/503148091.db2.gz GBLHTLCXMHMGCA-UHFFFAOYSA-N -2 0 371.361 3.404 20 0 FGADRL Cc1cccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1C(=O)[O-] ZINC000506661038 503151956 /nfs/dbraw/zinc/15/19/56/503151956.db2.gz FFPUCMLXXCZGLL-UHFFFAOYSA-N -2 0 363.288 3.050 20 0 FGADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000507023172 503215355 /nfs/dbraw/zinc/21/53/55/503215355.db2.gz WGTTWPXOOCJEKU-UHFFFAOYSA-N -2 0 374.393 3.490 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1C ZINC000608005143 506371711 /nfs/dbraw/zinc/37/17/11/506371711.db2.gz XLPSDVPOGLSJAT-UHFFFAOYSA-N -2 0 369.826 3.470 20 0 FGADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000509063458 503633225 /nfs/dbraw/zinc/63/32/25/503633225.db2.gz FXNYKTWTRORHLL-UHFFFAOYSA-N -2 0 363.391 3.038 20 0 FGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000509071372 503634999 /nfs/dbraw/zinc/63/49/99/503634999.db2.gz YCRAZPMVLMSNDJ-UHFFFAOYSA-N -2 0 363.435 3.428 20 0 FGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000509075566 503635761 /nfs/dbraw/zinc/63/57/61/503635761.db2.gz RDQMAXWULTVKKN-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC000541165616 504029209 /nfs/dbraw/zinc/02/92/09/504029209.db2.gz QQVZQCMQBCFTNJ-UHFFFAOYSA-N -2 0 359.812 3.103 20 0 FGADRL O=C([O-])c1cc(/C=C\c2ccc(/C=C\c3cc(C(=O)[O-])ncn3)cc2)ncn1 ZINC000534143965 504053964 /nfs/dbraw/zinc/05/39/64/504053964.db2.gz LCDVYQGXHSVPQJ-SFECMWDFSA-N -2 0 374.356 3.004 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccccc1C ZINC000548589313 504486458 /nfs/dbraw/zinc/48/64/58/504486458.db2.gz LSAOEMXXTFLQQU-UHFFFAOYSA-N -2 0 367.398 3.173 20 0 FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C(=O)[O-])c1 ZINC000520643152 504547460 /nfs/dbraw/zinc/54/74/60/504547460.db2.gz WTPMBOLNNKKODS-UHFFFAOYSA-N -2 0 359.325 3.220 20 0 FGADRL O=C([O-])c1ccn(-c2cccc(CN=c3nc(C4CCCC4)[n-]s3)c2)n1 ZINC000583568118 506854003 /nfs/dbraw/zinc/85/40/03/506854003.db2.gz XHYAEEOZGOLWHZ-UHFFFAOYSA-N -2 0 369.450 3.114 20 0 FGADRL COc1ccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2C(=O)[O-])c(Cl)c1 ZINC000583586523 506862411 /nfs/dbraw/zinc/86/24/11/506862411.db2.gz XCAJQKHDPUQNOZ-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000614785583 507652552 /nfs/dbraw/zinc/65/25/52/507652552.db2.gz YMCVSBVCIRUJMI-UHFFFAOYSA-N -2 0 367.398 3.457 20 0 FGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000738277457 599907855 /nfs/dbraw/zinc/90/78/55/599907855.db2.gz ZBMIDZAUEADDKR-UHFFFAOYSA-N -2 0 363.439 3.196 20 0 FGADRL CC1=C(C(=O)[O-])[C@H](c2cccc(Cl)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736749702 599989125 /nfs/dbraw/zinc/98/91/25/599989125.db2.gz DXZVSXIAZPQTKC-HNNXBMFYSA-N -2 0 366.801 3.020 20 0 FGADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736403987 600054761 /nfs/dbraw/zinc/05/47/61/600054761.db2.gz NHASUBHDNTUVSQ-NSHDSACASA-N -2 0 369.418 3.128 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])c2n1 ZINC000738675367 600099833 /nfs/dbraw/zinc/09/98/33/600099833.db2.gz LSQXEANIBLJSHI-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737734028 600234859 /nfs/dbraw/zinc/23/48/59/600234859.db2.gz MLEMSIRJXGXVCW-VIFPVBQESA-N -2 0 371.361 3.171 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)s1 ZINC000738655227 600237439 /nfs/dbraw/zinc/23/74/39/600237439.db2.gz NCMLQWZNRGZNPE-UHFFFAOYSA-N -2 0 363.363 3.157 20 0 FGADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000740001054 600303356 /nfs/dbraw/zinc/30/33/56/600303356.db2.gz NZFZCSLJQYEWIL-UHFFFAOYSA-N -2 0 358.778 3.048 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1Cl ZINC000522474676 600482338 /nfs/dbraw/zinc/48/23/38/600482338.db2.gz KOBSRBHDPMKEEN-UHFFFAOYSA-N -2 0 362.794 3.387 20 0 FGADRL C[C@@](CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000736548611 600502146 /nfs/dbraw/zinc/50/21/46/600502146.db2.gz MGAGVBZROXJNLO-SFHVURJKSA-N -2 0 361.781 3.409 20 0 FGADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)nc1 ZINC000738648446 600629604 /nfs/dbraw/zinc/62/96/04/600629604.db2.gz CUZWHDUUCMOGKK-UHFFFAOYSA-N -2 0 374.374 3.274 20 0 FGADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000736540065 600892078 /nfs/dbraw/zinc/89/20/78/600892078.db2.gz DKFSSMHZUIGNBH-SECBINFHSA-N -2 0 369.830 3.007 20 0 FGADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000830265921 601149736 /nfs/dbraw/zinc/14/97/36/601149736.db2.gz VSFJVOQHTPTYQW-UHFFFAOYSA-N -2 0 355.437 3.127 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2cc(Br)ccc2C)cc1C(=O)[O-] ZINC000832910440 601231916 /nfs/dbraw/zinc/23/19/16/601231916.db2.gz KBRXSUCAEIHZQS-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832886219 601382712 /nfs/dbraw/zinc/38/27/12/601382712.db2.gz JBMKOVNELVBCTH-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000828764496 601597843 /nfs/dbraw/zinc/59/78/43/601597843.db2.gz KOOIAERBUPKDCK-SNVBAGLBSA-N -2 0 367.448 3.079 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1F ZINC000746352486 601830803 /nfs/dbraw/zinc/83/08/03/601830803.db2.gz LMYKLFHAJZNANB-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL CCCCCc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000829373277 601832433 /nfs/dbraw/zinc/83/24/33/601832433.db2.gz OVYMJDKFSRFWFT-UHFFFAOYSA-N -2 0 354.453 3.375 20 0 FGADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n[nH]1 ZINC000829216704 602102562 /nfs/dbraw/zinc/10/25/62/602102562.db2.gz SGUBIUMDRBJKBX-JTQLQIEISA-N -2 0 351.428 3.121 20 0 FGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)c1 ZINC000833333468 602103946 /nfs/dbraw/zinc/10/39/46/602103946.db2.gz ATTHQCSHJJHDHG-UHFFFAOYSA-N -2 0 363.439 3.032 20 0 FGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000833295499 602308447 /nfs/dbraw/zinc/30/84/47/602308447.db2.gz YVRWNEHGVAHGOB-UHFFFAOYSA-N -2 0 367.402 3.096 20 0 FGADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c2cccnc12 ZINC000739931352 602653034 /nfs/dbraw/zinc/65/30/34/602653034.db2.gz FVAXZXSMHWWXOB-UHFFFAOYSA-N -2 0 373.390 3.134 20 0 FGADRL O=C([O-])CC1(CC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CCCC1 ZINC000740481029 603243807 /nfs/dbraw/zinc/24/38/07/603243807.db2.gz LBBNQWXLOOLXOK-UHFFFAOYSA-N -2 0 360.410 3.086 20 0 FGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830333494 603404025 /nfs/dbraw/zinc/40/40/25/603404025.db2.gz YDYOYBKXDSEFRB-LLVKDONJSA-N -2 0 352.387 3.264 20 0 FGADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cccc3ccccc32)n1 ZINC000833243444 604625298 /nfs/dbraw/zinc/62/52/98/604625298.db2.gz GKPXJTFEKWJIQX-UHFFFAOYSA-N -2 0 362.432 3.114 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)c(C(=O)[O-])[nH]1 ZINC000832900025 604791613 /nfs/dbraw/zinc/79/16/13/604791613.db2.gz YAHHCSSBLQBXSC-UHFFFAOYSA-N -2 0 371.827 3.085 20 0 FGADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1C ZINC000833650903 605171362 /nfs/dbraw/zinc/17/13/62/605171362.db2.gz ASCWRQBTJHTVHN-UHFFFAOYSA-N -2 0 371.846 3.144 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c(C(=O)[O-])c1 ZINC000833750861 605187785 /nfs/dbraw/zinc/18/77/85/605187785.db2.gz DGUMFFKTSVWUTL-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000834059721 605307132 /nfs/dbraw/zinc/30/71/32/605307132.db2.gz KMHJHLUTFAQFHE-UHFFFAOYSA-N -2 0 356.378 3.284 20 0 FGADRL O=C([O-])Nc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000834275460 605697054 /nfs/dbraw/zinc/69/70/54/605697054.db2.gz IUDTYVAJHGOENF-UHFFFAOYSA-N -2 0 356.313 3.059 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cccc3cccnc32)cc(C(=O)[O-])c1F ZINC000178108265 705653594 /nfs/dbraw/zinc/65/35/94/705653594.db2.gz IPJDFNKAWXSJGD-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1C ZINC000182495674 705846460 /nfs/dbraw/zinc/84/64/60/705846460.db2.gz JWMLTKURMGPETR-UHFFFAOYSA-N -2 0 356.787 3.371 20 0 FGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1F ZINC000322224328 713813232 /nfs/dbraw/zinc/81/32/32/713813232.db2.gz ZCOQBJRVMXRZPG-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1C(=O)[O-] ZINC000484250016 714095987 /nfs/dbraw/zinc/09/59/87/714095987.db2.gz BVNVWJKVSJYTST-UHFFFAOYSA-N -2 0 359.407 3.002 20 0 FGADRL CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cccc(Cl)c1[O-] ZINC000629290269 716254344 /nfs/dbraw/zinc/25/43/44/716254344.db2.gz QZIZOFLRFYSEIA-CYBMUJFWSA-N -2 0 373.833 3.184 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)sc1C(=O)[O-] ZINC000649655398 718545278 /nfs/dbraw/zinc/54/52/78/718545278.db2.gz SOWKBBOXDYMBSG-UHFFFAOYSA-N -2 0 365.432 3.075 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1C1CCCCC1 ZINC000685903023 722407698 /nfs/dbraw/zinc/40/76/98/722407698.db2.gz GTYAKIALEWOONI-UHFFFAOYSA-N -2 0 369.468 3.257 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000753769305 722911970 /nfs/dbraw/zinc/91/19/70/722911970.db2.gz IIMDIJNPFCXKDX-UHFFFAOYSA-N -2 0 353.371 3.032 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1 ZINC000753769101 722911976 /nfs/dbraw/zinc/91/19/76/722911976.db2.gz GSNCHBPXQVZWCX-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2scnc2C2CC2)cc(C(=O)[O-])c1Cl ZINC000762477461 723246907 /nfs/dbraw/zinc/24/69/07/723246907.db2.gz YWUGFRQVPGVKOS-UHFFFAOYSA-N -2 0 372.855 3.481 20 0 FGADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2O1 ZINC000788762565 725086680 /nfs/dbraw/zinc/08/66/80/725086680.db2.gz SZSLCULIOIKQFQ-UHFFFAOYSA-N -2 0 365.382 3.038 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000080941137 493796843 /nfs/dbraw/zinc/79/68/43/493796843.db2.gz QUZSZNBGUCTWPC-UHFFFAOYSA-N -2 0 365.455 3.142 20 0 FGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000007428454 494022197 /nfs/dbraw/zinc/02/21/97/494022197.db2.gz FKURPCONRQRHNN-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1O ZINC000013464484 494288118 /nfs/dbraw/zinc/28/81/18/494288118.db2.gz XHDGENJGBVCPHO-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL Cc1[n-]n(-c2cccc(-c3ccc4c(c3)CCO4)c2)c(=O)c1CC(=O)[O-] ZINC000568533844 505717602 /nfs/dbraw/zinc/71/76/02/505717602.db2.gz QYVSERMMWWJJAP-QGZVFWFLSA-N -2 0 350.374 3.102 20 0 FGADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1CCC(C)C ZINC000137774148 495450512 /nfs/dbraw/zinc/45/05/12/495450512.db2.gz QVTGIHWIIQGMHP-UHFFFAOYSA-N -2 0 365.455 3.045 20 0 FGADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000183346896 495941253 /nfs/dbraw/zinc/94/12/53/495941253.db2.gz IXHBSIJOSKNDJO-UHFFFAOYSA-N -2 0 358.375 3.149 20 0 FGADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(O)c1 ZINC000578585509 505973117 /nfs/dbraw/zinc/97/31/17/505973117.db2.gz JPKCUNFCUAGXAP-UHFFFAOYSA-N -2 0 363.435 3.118 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)NCc2ccc3sccc3c2)c1 ZINC000572590739 506004594 /nfs/dbraw/zinc/00/45/94/506004594.db2.gz LTELUBOWZRZRIC-UHFFFAOYSA-N -2 0 353.446 3.140 20 0 FGADRL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000288204453 498967169 /nfs/dbraw/zinc/96/71/69/498967169.db2.gz KYDSUSPDKOYXSR-UHFFFAOYSA-N -2 0 354.453 3.085 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000393049964 499559900 /nfs/dbraw/zinc/55/99/00/499559900.db2.gz OZGKSWONAJELAO-UHFFFAOYSA-N -2 0 362.363 3.106 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1C(=O)[O-] ZINC000396431042 499563370 /nfs/dbraw/zinc/56/33/70/499563370.db2.gz SGEVXBRYVBAONC-UHFFFAOYSA-N -2 0 356.403 3.296 20 0 FGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000430990433 500319055 /nfs/dbraw/zinc/31/90/55/500319055.db2.gz OLQSDNBBXBDGFF-SNVBAGLBSA-N -2 0 353.465 3.429 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1OC(C)C ZINC000447264051 500581445 /nfs/dbraw/zinc/58/14/45/500581445.db2.gz MFHGNPRSIWIDOS-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL CCSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433490527 500703910 /nfs/dbraw/zinc/70/39/10/500703910.db2.gz XMWYATMAHUJPNS-UHFFFAOYSA-N -2 0 353.421 3.003 20 0 FGADRL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433497799 500704537 /nfs/dbraw/zinc/70/45/37/500704537.db2.gz RPHSZCCFXHZZAP-UHFFFAOYSA-N -2 0 365.407 3.069 20 0 FGADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433512987 500706805 /nfs/dbraw/zinc/70/68/05/500706805.db2.gz YCLQUUKKEMCVQB-UHFFFAOYSA-N -2 0 365.407 3.070 20 0 FGADRL CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000438815687 500821751 /nfs/dbraw/zinc/82/17/51/500821751.db2.gz TXHUUCHKFDVGEI-UHFFFAOYSA-N -2 0 367.398 3.250 20 0 FGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)n[nH]2)s1 ZINC000444422343 500845749 /nfs/dbraw/zinc/84/57/49/500845749.db2.gz WZFBJXGRWLIWOH-UHFFFAOYSA-N -2 0 369.449 3.007 20 0 FGADRL COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000435722935 501017184 /nfs/dbraw/zinc/01/71/84/501017184.db2.gz MFHAIQXTQWGCFU-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)cc1C(=O)[O-] ZINC000440816474 501052589 /nfs/dbraw/zinc/05/25/89/501052589.db2.gz CXKGLUUPBOFGMS-UHFFFAOYSA-N -2 0 371.418 3.268 20 0 FGADRL CO[C@H](C)c1nc(=NC(=O)c2cc(Oc3ccccc3)ccc2[O-])s[n-]1 ZINC000436733660 501199503 /nfs/dbraw/zinc/19/95/03/501199503.db2.gz XXHFXBOAAVQQNF-LLVKDONJSA-N -2 0 371.418 3.418 20 0 FGADRL COc1cccc(-c2nc(=NC(=O)c3ccc(C)c(C)c3[O-])s[n-]2)c1 ZINC000436732941 501199679 /nfs/dbraw/zinc/19/96/79/501199679.db2.gz TUSNQWFZIBRXJN-UHFFFAOYSA-N -2 0 355.419 3.210 20 0 FGADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1)C(=O)[O-] ZINC000463782299 501820464 /nfs/dbraw/zinc/82/04/64/501820464.db2.gz MDGWYGGCQYIPSL-LBPRGKRZSA-N -2 0 368.842 3.189 20 0 FGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461339751 502075065 /nfs/dbraw/zinc/07/50/65/502075065.db2.gz KYTRTJDHCLBAQH-UHFFFAOYSA-N -2 0 369.317 3.405 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)sc1C(=O)[O-] ZINC000462106082 502308900 /nfs/dbraw/zinc/30/89/00/502308900.db2.gz VUFRHPWXTDAJRY-UHFFFAOYSA-N -2 0 361.828 3.223 20 0 FGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000480190998 502495539 /nfs/dbraw/zinc/49/55/39/502495539.db2.gz BNVBJAFZXDCQFM-GFCCVEGCSA-N -2 0 365.455 3.278 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000476512618 502510011 /nfs/dbraw/zinc/51/00/11/502510011.db2.gz OCDSHNUQWKMNOG-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)CC)c2C)cc1C(=O)[O-] ZINC000480242034 502510959 /nfs/dbraw/zinc/51/09/59/502510959.db2.gz PBTGCOINRPQFDU-LLVKDONJSA-N -2 0 365.455 3.224 20 0 FGADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000484178362 502594007 /nfs/dbraw/zinc/59/40/07/502594007.db2.gz WEAPCUQAMNSLAA-UHFFFAOYSA-N -2 0 367.398 3.041 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(F)cc1F ZINC000484556388 502668362 /nfs/dbraw/zinc/66/83/62/502668362.db2.gz MHPPRXYGXHSEAW-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])c(F)cc1F ZINC000484807860 502744163 /nfs/dbraw/zinc/74/41/63/502744163.db2.gz DNHURJBZHPUXCC-UHFFFAOYSA-N -2 0 366.345 3.254 20 0 FGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477398890 502764193 /nfs/dbraw/zinc/76/41/93/502764193.db2.gz NVATUPNHOXCVHT-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL COc1ccsc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])CCCC2 ZINC000509379707 502888083 /nfs/dbraw/zinc/88/80/83/502888083.db2.gz SFFLLQOQNZQKLD-UHFFFAOYSA-N -2 0 367.448 3.135 20 0 FGADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1nc[n-]c1C(=O)c1ccccc1 ZINC000505610386 502949556 /nfs/dbraw/zinc/94/95/56/502949556.db2.gz QWNSTOGXZCRHPY-UHFFFAOYSA-N -2 0 359.744 3.391 20 0 FGADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000489725684 503019338 /nfs/dbraw/zinc/01/93/38/503019338.db2.gz PJMSHAXVFRTQNP-UHFFFAOYSA-N -2 0 367.398 3.328 20 0 FGADRL Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc21 ZINC000489746777 503024347 /nfs/dbraw/zinc/02/43/47/503024347.db2.gz QIGQKRGPVWEFJU-UHFFFAOYSA-N -2 0 364.810 3.331 20 0 FGADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C(C)C ZINC000499265842 503368929 /nfs/dbraw/zinc/36/89/29/503368929.db2.gz QEDMIKQCCCBSSV-UHFFFAOYSA-N -2 0 371.484 3.223 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1C(=O)[O-] ZINC000507965240 503405111 /nfs/dbraw/zinc/40/51/11/503405111.db2.gz MVAMSYFDIKMWGJ-UHFFFAOYSA-N -2 0 363.288 3.050 20 0 FGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000508019942 503414555 /nfs/dbraw/zinc/41/45/55/503414555.db2.gz ZMISXYKPPWEMMU-UHFFFAOYSA-N -2 0 357.334 3.095 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)n([C@H](C)CC)n1 ZINC000537196045 503836312 /nfs/dbraw/zinc/83/63/12/503836312.db2.gz OUHSEIAMLPTWOV-LLVKDONJSA-N -2 0 365.455 3.224 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)sc1Cl ZINC000530382524 503944204 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Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3scnc3c2)c1F ZINC000749141527 722717504 /nfs/dbraw/zinc/71/75/04/722717504.db2.gz HSKQEEMZOOBQAJ-UHFFFAOYSA-N -2 0 366.395 3.243 20 0 FGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(F)c2)cc1C(=O)[O-] ZINC000790399540 723135572 /nfs/dbraw/zinc/13/55/72/723135572.db2.gz PXYCNDGNSPMMAY-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000766368820 723570555 /nfs/dbraw/zinc/57/05/55/723570555.db2.gz IEUCRLIJLKQXKJ-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C ZINC000774621883 723911396 /nfs/dbraw/zinc/91/13/96/723911396.db2.gz FNGJDKCMWIESFO-UHFFFAOYSA-N -2 0 355.412 3.355 20 0 FGADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCC(C)(C)O2)c1 ZINC000901675659 743615172 /nfs/dbraw/zinc/61/51/72/743615172.db2.gz NOFUTCMARFTHNR-CYBMUJFWSA-N -2 0 355.456 3.074 20 0 FGADRL CC(C)Cn1[n-]c(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1=O ZINC000935168254 761806955 /nfs/dbraw/zinc/80/69/55/761806955.db2.gz ACEWLXXROWAXOW-UHFFFAOYSA-N -2 0 358.225 3.026 20 0 FGADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000013464955 494288513 /nfs/dbraw/zinc/28/85/13/494288513.db2.gz FIVKSJNJXWSSJR-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)sc1C(=O)[O-] ZINC000066235506 494293103 /nfs/dbraw/zinc/29/31/03/494293103.db2.gz SIDWELPHZCRGTL-UHFFFAOYSA-N -2 0 362.432 3.412 20 0 FGADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000126897488 494858311 /nfs/dbraw/zinc/85/83/11/494858311.db2.gz AEEHUDIHNQRJTH-UHFFFAOYSA-N -2 0 370.814 3.321 20 0 FGADRL COc1ccc(-c2cccc(-n3[n-]c(C)c(CC(=O)[O-])c3=O)c2)cc1OC ZINC000569001785 505827876 /nfs/dbraw/zinc/82/78/76/505827876.db2.gz KWZDMRPRCLYKQH-MRXNPFEDSA-N -2 0 368.389 3.184 20 0 FGADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3cccc(Cl)c3[O-])n2)cc1 ZINC000181266120 496333283 /nfs/dbraw/zinc/33/32/83/496333283.db2.gz DHJKKPRKLHIBJC-UHFFFAOYSA-N -2 0 359.769 3.198 20 0 FGADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000184636089 496474266 /nfs/dbraw/zinc/47/42/66/496474266.db2.gz STHMMTHIZXCWNB-UHFFFAOYSA-N -2 0 374.187 3.087 20 0 FGADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cccs2)c1 ZINC000166580943 496688760 /nfs/dbraw/zinc/68/87/60/496688760.db2.gz YEYVYBRKASAFME-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000270392400 497118043 /nfs/dbraw/zinc/11/80/43/497118043.db2.gz CJOPKBAXMJYIQA-UHFFFAOYSA-N -2 0 358.803 3.006 20 0 FGADRL CC(C)c1nc(/C=C/c2ccc(OCCC(=O)[O-])cc2)ncc1C(=O)[O-] ZINC000265835662 497191100 /nfs/dbraw/zinc/19/11/00/497191100.db2.gz ZAVYPHVEJLRFLJ-VMPITWQZSA-N -2 0 356.378 3.322 20 0 FGADRL O=C([O-])[C@@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000274966123 497207973 /nfs/dbraw/zinc/20/79/73/497207973.db2.gz BWNRXIZRJVBPSK-IAGOWNOFSA-N -2 0 368.389 3.052 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000266808988 497424156 /nfs/dbraw/zinc/42/41/56/497424156.db2.gz UXIDLTAHBWMUDO-UHFFFAOYSA-N -2 0 353.396 3.012 20 0 FGADRL COc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000268370955 497734920 /nfs/dbraw/zinc/73/49/20/497734920.db2.gz UGWGTIBQQFHYJO-UHFFFAOYSA-N -2 0 371.436 3.043 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1Cl ZINC000321087081 498811073 /nfs/dbraw/zinc/81/10/73/498811073.db2.gz JGASBZINHGEUTE-UHFFFAOYSA-N -2 0 359.787 3.139 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ncco2)ccc1C ZINC000372853253 499184580 /nfs/dbraw/zinc/18/45/80/499184580.db2.gz BVNLXDUSLFZMOL-UHFFFAOYSA-N -2 0 362.363 3.050 20 0 FGADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414390422 499785456 /nfs/dbraw/zinc/78/54/56/499785456.db2.gz XBYKOIKTSADKOC-UHFFFAOYSA-N -2 0 356.787 3.013 20 0 FGADRL O=C([O-])CCCCCNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000417791310 500172762 /nfs/dbraw/zinc/17/27/62/500172762.db2.gz NQDMNGSJAQWOOL-UHFFFAOYSA-N -2 0 368.846 3.047 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cs1 ZINC000432205474 500483848 /nfs/dbraw/zinc/48/38/48/500483848.db2.gz ZEBYKHMVQAIBSI-UHFFFAOYSA-N -2 0 364.404 3.266 20 0 FGADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(O)c1 ZINC000443533212 500735487 /nfs/dbraw/zinc/73/54/87/500735487.db2.gz VCPQWMJQVKWZTJ-UHFFFAOYSA-N -2 0 363.435 3.118 20 0 FGADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000433809303 500747826 /nfs/dbraw/zinc/74/78/26/500747826.db2.gz UGQJYAFMNIFAAY-UHFFFAOYSA-N -2 0 355.437 3.250 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)sc1C(=O)[O-] ZINC000444417972 500845383 /nfs/dbraw/zinc/84/53/83/500845383.db2.gz HRELRKDGIZOIFD-UHFFFAOYSA-N -2 0 369.449 3.007 20 0 FGADRL CCC(=O)c1ccc([O-])c(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000436650272 501178654 /nfs/dbraw/zinc/17/86/54/501178654.db2.gz YMLSYKHQYGSADT-UHFFFAOYSA-N -2 0 369.352 3.268 20 0 FGADRL CO[C@H](C)c1nc(=NC(=O)c2cc(Cl)c3ccccc3c2[O-])s[n-]1 ZINC000436730191 501199088 /nfs/dbraw/zinc/19/90/88/501199088.db2.gz KBCDOGTZPCVDNW-MRVPVSSYSA-N -2 0 363.826 3.432 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)c2n1 ZINC000436736459 501200775 /nfs/dbraw/zinc/20/07/75/501200775.db2.gz FXCBCSKZNDHNDK-UHFFFAOYSA-N -2 0 372.402 3.056 20 0 FGADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485269944 501774034 /nfs/dbraw/zinc/77/40/34/501774034.db2.gz FDOZLONFDQQMMJ-UHFFFAOYSA-N -2 0 353.371 3.032 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c2ncccc12 ZINC000463787730 501821814 /nfs/dbraw/zinc/82/18/14/501821814.db2.gz OQHXFCYMOUFDLV-UHFFFAOYSA-N -2 0 372.402 3.133 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000481968589 501931709 /nfs/dbraw/zinc/93/17/09/501931709.db2.gz AOSJUXBIDLFQDN-UHFFFAOYSA-N -2 0 369.370 3.157 20 0 FGADRL O=C([O-])c1nc(/C=C/c2ccc(C(=O)[O-])cc2)sc1Br ZINC000486030914 502024732 /nfs/dbraw/zinc/02/47/32/502024732.db2.gz XRMQWVRALBMUFX-ZZXKWVIFSA-N -2 0 354.181 3.472 20 0 FGADRL CSc1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000479207939 502192732 /nfs/dbraw/zinc/19/27/32/502192732.db2.gz TVWGMBRIZVVXKV-UHFFFAOYSA-N -2 0 359.375 3.186 20 0 FGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1C ZINC000480192631 502496488 /nfs/dbraw/zinc/49/64/88/502496488.db2.gz FKQOBHMQVGXHQF-JTQLQIEISA-N -2 0 369.418 3.109 20 0 FGADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000477275140 502726632 /nfs/dbraw/zinc/72/66/32/502726632.db2.gz HNVXXFGSJLQVOS-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1O ZINC000477397367 502764472 /nfs/dbraw/zinc/76/44/72/502764472.db2.gz XPDSSIPLTRKFOK-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL Cn1cc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)cc1C(=O)[O-] ZINC000491146708 503280164 /nfs/dbraw/zinc/28/01/64/503280164.db2.gz ORQRRXAVSRFUTE-UHFFFAOYSA-N -2 0 372.402 3.316 20 0 FGADRL Cc1cc(C(=O)Nc2csc3ccccc23)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000491431949 503306001 /nfs/dbraw/zinc/30/60/01/503306001.db2.gz GZYZHCGPYXQCPS-UHFFFAOYSA-N -2 0 352.375 3.211 20 0 FGADRL Cc1cc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)ccc1C(=O)[O-] ZINC000507922303 503396427 /nfs/dbraw/zinc/39/64/27/503396427.db2.gz SNOZZSRPRPWDAS-UHFFFAOYSA-N -2 0 358.375 3.149 20 0 FGADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512742443 503624083 /nfs/dbraw/zinc/62/40/83/503624083.db2.gz ONDHFBLTTMOILP-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000543652094 503842057 /nfs/dbraw/zinc/84/20/57/503842057.db2.gz MUCTVXYGBFEHBN-NSHDSACASA-N -2 0 353.465 3.375 20 0 FGADRL Cc1cc(C(=O)Nc2nc(CC(C)(C)C)cs2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000540732325 503873292 /nfs/dbraw/zinc/87/32/92/503873292.db2.gz SVFOLXGILDEURM-UHFFFAOYSA-N -2 0 373.438 3.042 20 0 FGADRL CSc1c(F)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1F ZINC000544095664 504005012 /nfs/dbraw/zinc/00/50/12/504005012.db2.gz BYSIBMNIAZIYIA-UHFFFAOYSA-N -2 0 365.404 3.247 20 0 FGADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000547608514 504155859 /nfs/dbraw/zinc/15/58/59/504155859.db2.gz FPHBFIQDCBHZID-YFKPBYRVSA-N -2 0 365.251 3.096 20 0 FGADRL COc1cc(C)c([N-]S(=O)(=O)c2ccccc2Cl)c(C(=O)[O-])c1 ZINC000547939729 504265912 /nfs/dbraw/zinc/26/59/12/504265912.db2.gz SQFGWZNCYLIOJF-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000547955211 504271908 /nfs/dbraw/zinc/27/19/08/504271908.db2.gz ICEMQRPTVNETAY-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000548283335 504386359 /nfs/dbraw/zinc/38/63/59/504386359.db2.gz RDLWFXMGXQQEBP-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c(O)c1 ZINC000538841558 504388534 /nfs/dbraw/zinc/38/85/34/504388534.db2.gz JPBYYOHVVXQUMT-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)s1 ZINC000532037873 504513794 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20 0 FGADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000194223346 497606811 /nfs/dbraw/zinc/60/68/11/497606811.db2.gz PIZFPPVYQAGSRW-UHFFFAOYSA-N -2 0 363.439 3.114 20 0 FGADRL COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)[O-])c1 ZINC000326980032 498849954 /nfs/dbraw/zinc/84/99/54/498849954.db2.gz ULEOXXCSDSKBHS-UHFFFAOYSA-N -2 0 357.387 3.347 20 0 FGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000327288682 498854562 /nfs/dbraw/zinc/85/45/62/498854562.db2.gz LYRIVGARSSEQJV-UHFFFAOYSA-N -2 0 371.361 3.404 20 0 FGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000327282979 498854834 /nfs/dbraw/zinc/85/48/34/498854834.db2.gz GUQJKADPFZPMDH-UHFFFAOYSA-N -2 0 363.435 3.393 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1C ZINC000392784321 499559263 /nfs/dbraw/zinc/55/92/63/499559263.db2.gz JYGMSDJZRPTXQO-UHFFFAOYSA-N -2 0 374.340 3.216 20 0 FGADRL Cc1c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cccc1C(=O)[O-] ZINC000410059695 499638947 /nfs/dbraw/zinc/63/89/47/499638947.db2.gz RLXLJHMDTVPFQX-UHFFFAOYSA-N -2 0 361.419 3.208 20 0 FGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000410405714 499660863 /nfs/dbraw/zinc/66/08/63/499660863.db2.gz YZZVFXFZIYIFBD-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCC3)cc1 ZINC000421155678 499975027 /nfs/dbraw/zinc/97/50/27/499975027.db2.gz OFELDHJUGRJWNX-LBPRGKRZSA-N -2 0 361.419 3.001 20 0 FGADRL O=C([O-])CCCCCNC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000417779424 500169550 /nfs/dbraw/zinc/16/95/50/500169550.db2.gz VVRCWOGAYCZBSF-UHFFFAOYSA-N -2 0 374.422 3.140 20 0 FGADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000433807635 500747556 /nfs/dbraw/zinc/74/75/56/500747556.db2.gz JLPGZZRMCRZILW-UHFFFAOYSA-N -2 0 367.398 3.328 20 0 FGADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1nn(-c2ccccc2F)cc1[O-] ZINC000436774549 501209543 /nfs/dbraw/zinc/20/95/43/501209543.db2.gz STUCQSZJMYYIMS-UHFFFAOYSA-N -2 0 365.723 3.467 20 0 FGADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000436894329 501228610 /nfs/dbraw/zinc/22/86/10/501228610.db2.gz QPWDNJYSYXSPAH-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485267153 501773683 /nfs/dbraw/zinc/77/36/83/501773683.db2.gz AOQZEBBACMKXSZ-UHFFFAOYSA-N -2 0 371.361 3.251 20 0 FGADRL CCc1cccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000485297864 501780967 /nfs/dbraw/zinc/78/09/67/501780967.db2.gz LIIDYRCKMSCPKB-UHFFFAOYSA-N -2 0 369.826 3.410 20 0 FGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)s1 ZINC000486122266 502053365 /nfs/dbraw/zinc/05/33/65/502053365.db2.gz PMLRYSUVOFBBNP-UHFFFAOYSA-N -2 0 354.453 3.211 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(C(=O)[O-])cc1C ZINC000478683095 502056848 /nfs/dbraw/zinc/05/68/48/502056848.db2.gz WAGWQVSSYQXQAI-UHFFFAOYSA-N -2 0 372.402 3.457 20 0 FGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000469008117 502262208 /nfs/dbraw/zinc/26/22/08/502262208.db2.gz QQBVBROWFZSUKA-UHFFFAOYSA-N -2 0 355.799 3.238 20 0 FGADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1O ZINC000462100631 502307417 /nfs/dbraw/zinc/30/74/17/502307417.db2.gz GLVBEGNCZYEXER-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1C ZINC000480215935 502504422 /nfs/dbraw/zinc/50/44/22/502504422.db2.gz IUKBZNIUVPISAC-VIFPVBQESA-N -2 0 369.418 3.109 20 0 FGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000470454791 502781577 /nfs/dbraw/zinc/78/15/77/502781577.db2.gz DMEMJUCBUZZBKL-UHFFFAOYSA-N -2 0 373.427 3.483 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1C ZINC000484961081 502787805 /nfs/dbraw/zinc/78/78/05/502787805.db2.gz ARNQLSTZWGOAFH-UHFFFAOYSA-N -2 0 353.371 3.032 20 0 FGADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(Cl)cc3O)c1)CCC2 ZINC000513819532 503030164 /nfs/dbraw/zinc/03/01/64/503030164.db2.gz YOSFUVHFLZHUGM-UHFFFAOYSA-N -2 0 367.810 3.033 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1OC ZINC000511741098 503378904 /nfs/dbraw/zinc/37/89/04/503378904.db2.gz VSXSIRJECSWULK-UHFFFAOYSA-N -2 0 369.826 3.410 20 0 FGADRL Cc1cc(C(=O)Nc2ccnc(-c3ccccc3)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000500442651 503626592 /nfs/dbraw/zinc/62/65/92/503626592.db2.gz REJZLEFVCSWQME-UHFFFAOYSA-N -2 0 373.372 3.059 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000530887951 504120253 /nfs/dbraw/zinc/12/02/53/504120253.db2.gz VGMKVGWEEJSMNH-UHFFFAOYSA-N -2 0 359.325 3.165 20 0 FGADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)s1 ZINC000547961789 504275539 /nfs/dbraw/zinc/27/55/39/504275539.db2.gz DMRRIJIHVTZUSG-UHFFFAOYSA-N -2 0 366.464 3.002 20 0 FGADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000548283163 504385796 /nfs/dbraw/zinc/38/57/96/504385796.db2.gz GBAXGDAUDXLJJM-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc4cc[nH]c43)c1)CCC2 ZINC000548477898 504459203 /nfs/dbraw/zinc/45/92/03/504459203.db2.gz HMGUAFZNJDLXNM-UHFFFAOYSA-N -2 0 356.403 3.156 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC2=O ZINC000562707841 504917184 /nfs/dbraw/zinc/91/71/84/504917184.db2.gz RPTJAVCDUVRPND-UHFFFAOYSA-N -2 0 365.432 3.075 20 0 FGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1F ZINC000560006883 504969325 /nfs/dbraw/zinc/96/93/25/504969325.db2.gz CJUJWLGMABZIGE-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000554680974 505238010 /nfs/dbraw/zinc/23/80/10/505238010.db2.gz CGQHLPUTLSBEHQ-UHFFFAOYSA-N -2 0 356.403 3.296 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nn1C1CCCCC1 ZINC000562232923 505546005 /nfs/dbraw/zinc/54/60/05/505546005.db2.gz BUXIHENUEQXJJV-UHFFFAOYSA-N -2 0 363.439 3.196 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])nn1[C@H](C)C1CC1 ZINC000584701375 507458896 /nfs/dbraw/zinc/45/88/96/507458896.db2.gz GIZCZTAOXXUTJC-SNVBAGLBSA-N -2 0 355.847 3.322 20 0 FGADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000738688871 599923666 /nfs/dbraw/zinc/92/36/66/599923666.db2.gz NKWQDBDFXLZNMH-UHFFFAOYSA-N -2 0 363.288 3.344 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000738534158 599958487 /nfs/dbraw/zinc/95/84/87/599958487.db2.gz VYWVXBZOAGRBPC-UHFFFAOYSA-N -2 0 372.406 3.067 20 0 FGADRL CCOc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])ccc1C ZINC000737190867 600100111 /nfs/dbraw/zinc/10/01/11/600100111.db2.gz DTVWESXTBKSXKV-UHFFFAOYSA-N -2 0 353.396 3.103 20 0 FGADRL C[C@](CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736548340 600155220 /nfs/dbraw/zinc/15/52/20/600155220.db2.gz KUDMAUIIVFIHPU-GOSISDBHSA-N -2 0 360.341 3.287 20 0 FGADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000736493689 600231596 /nfs/dbraw/zinc/23/15/96/600231596.db2.gz ABSKYNHCKJJEGA-UHFFFAOYSA-N -2 0 371.361 3.251 20 0 FGADRL CCOc1cc(C(=O)Nc2cccc(Cl)c2[O-])ccc1OCC(=O)[O-] ZINC000737185895 600268585 /nfs/dbraw/zinc/26/85/85/600268585.db2.gz CVKHVINKKILNKV-UHFFFAOYSA-N -2 0 365.769 3.160 20 0 FGADRL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736982862 600273232 /nfs/dbraw/zinc/27/32/32/600273232.db2.gz DPACSTLBTCMOEY-ZDUSSCGKSA-N -2 0 355.456 3.186 20 0 FGADRL CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000736296703 600392720 /nfs/dbraw/zinc/39/27/20/600392720.db2.gz IPEWYFXRXZUINE-MRXNPFEDSA-N -2 0 370.405 3.023 20 0 FGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccnc(-c2ccccc2)c1 ZINC000740146855 600424654 /nfs/dbraw/zinc/42/46/54/600424654.db2.gz WIBGVDKXOROMLA-UHFFFAOYSA-N -2 0 372.377 3.387 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)s1 ZINC000833324209 600687469 /nfs/dbraw/zinc/68/74/69/600687469.db2.gz OFJOFKIBRILCHX-UHFFFAOYSA-N -2 0 365.354 3.352 20 0 FGADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000829580542 600827750 /nfs/dbraw/zinc/82/77/50/600827750.db2.gz YPKWETODGWPPGD-UHFFFAOYSA-N -2 0 373.434 3.254 20 0 FGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000831946031 601150507 /nfs/dbraw/zinc/15/05/07/601150507.db2.gz PTBOIPBMVKJRQR-UHFFFAOYSA-N -2 0 363.416 3.409 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2nc3c(cc(C)cc3C)s2)cc1C(=O)[O-] ZINC000832874949 601229366 /nfs/dbraw/zinc/22/93/66/601229366.db2.gz NTETUQUPBMVOSX-UHFFFAOYSA-N -2 0 366.420 3.314 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000314450528 601357468 /nfs/dbraw/zinc/35/74/68/601357468.db2.gz JLPVDPCEENWPEC-UHFFFAOYSA-N -2 0 351.327 3.266 20 0 FGADRL Cc1c2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)sc2ccc1F ZINC000832854709 601626681 /nfs/dbraw/zinc/62/66/81/601626681.db2.gz PVNXBGUKZWKGEB-UHFFFAOYSA-N -2 0 372.424 3.304 20 0 FGADRL Cn1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1C(=O)[O-] ZINC000833052807 601783799 /nfs/dbraw/zinc/78/37/99/601783799.db2.gz KCLKEOPFJUGGLB-UHFFFAOYSA-N -2 0 370.386 3.424 20 0 FGADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c2ccccc12 ZINC000830094547 601784345 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Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1O ZINC000507953715 503403163 /nfs/dbraw/zinc/40/31/63/503403163.db2.gz VJMIKDCCZAGJDF-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000537195035 503837275 /nfs/dbraw/zinc/83/72/75/503837275.db2.gz WJSXJQDOUXNKLK-LBPRGKRZSA-N -2 0 365.455 3.278 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c(C)o1 ZINC000537348951 503885205 /nfs/dbraw/zinc/88/52/05/503885205.db2.gz GREQPMFANSYRNK-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c(C)c1C(=O)[O-] ZINC000537395736 503899943 /nfs/dbraw/zinc/89/99/43/503899943.db2.gz ZOCRGQOQXVAKCG-UHFFFAOYSA-N -2 0 372.402 3.457 20 0 FGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000547559712 504147675 /nfs/dbraw/zinc/14/76/75/504147675.db2.gz ODDGJUOFNNLQRM-UHFFFAOYSA-N -2 0 350.783 3.019 20 0 FGADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000547869659 504254473 /nfs/dbraw/zinc/25/44/73/504254473.db2.gz KRWHGWFEUCEPJX-YFKPBYRVSA-N -2 0 365.251 3.096 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2OCCC3)c1C ZINC000532108800 504538198 /nfs/dbraw/zinc/53/81/98/504538198.db2.gz LMQGBKCXNDBFSC-UHFFFAOYSA-N -2 0 361.419 3.127 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)sc1C ZINC000542732385 504590740 /nfs/dbraw/zinc/59/07/40/504590740.db2.gz CHVDCGTUKAKFLU-LLVKDONJSA-N -2 0 353.465 3.429 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000559907717 504948507 /nfs/dbraw/zinc/94/85/07/504948507.db2.gz GVKRSNQYNLQWBN-LLVKDONJSA-N -2 0 365.354 3.028 20 0 FGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000604856621 506965087 /nfs/dbraw/zinc/96/50/87/506965087.db2.gz VFRCNUCOFFUSAB-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)s1 ZINC000592429671 507656271 /nfs/dbraw/zinc/65/62/71/507656271.db2.gz PANIXXKEHVDHIU-UHFFFAOYSA-N -2 0 350.421 3.291 20 0 FGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N=c3ncn(C(C)(C)C)[n-]3)n2)c1 ZINC000499244161 515253931 /nfs/dbraw/zinc/25/39/31/515253931.db2.gz HWANAXMWQAMCIY-UHFFFAOYSA-N -2 0 368.441 3.300 20 0 FGADRL C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC(C)(C)C1 ZINC000736754261 599727723 /nfs/dbraw/zinc/72/77/23/599727723.db2.gz BXGNVAUWHWLTEM-WDEREUQCSA-N -2 0 373.496 3.104 20 0 FGADRL CSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000738194822 600053281 /nfs/dbraw/zinc/05/32/81/600053281.db2.gz ARCOYIBUQGYHIZ-UHFFFAOYSA-N -2 0 355.412 3.188 20 0 FGADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000738364979 600054737 /nfs/dbraw/zinc/05/47/37/600054737.db2.gz ZCPMTTZHBLKWNO-UHFFFAOYSA-N -2 0 354.453 3.248 20 0 FGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c1C(=O)[O-] ZINC000738968844 600055356 /nfs/dbraw/zinc/05/53/56/600055356.db2.gz DDQAZLYAFAXQNC-UHFFFAOYSA-N -2 0 370.452 3.121 20 0 FGADRL CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736992194 600105087 /nfs/dbraw/zinc/10/50/87/600105087.db2.gz BHWRKFHUBATLKX-UHFFFAOYSA-N -2 0 352.412 3.015 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cccnc32)c(F)cc1F ZINC000740089286 600231511 /nfs/dbraw/zinc/23/15/11/600231511.db2.gz CXCPBNMFMMXEJJ-UHFFFAOYSA-N -2 0 364.329 3.012 20 0 FGADRL CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000736294277 600465464 /nfs/dbraw/zinc/46/54/64/600465464.db2.gz MRWPTRQEYSNTMR-VHSXEESVSA-N -2 0 351.424 3.349 20 0 FGADRL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736286064 600613721 /nfs/dbraw/zinc/61/37/21/600613721.db2.gz NKSLUBDXJRVNCQ-UHFFFAOYSA-N -2 0 355.437 3.424 20 0 FGADRL O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000833312893 600670151 /nfs/dbraw/zinc/67/01/51/600670151.db2.gz ZKRPXXSGKZISPX-ZJUUUORDSA-N -2 0 357.284 3.009 20 0 FGADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)cc2=O)cc1 ZINC000832910276 600835815 /nfs/dbraw/zinc/83/58/15/600835815.db2.gz WPOBVPZEMFUYRF-UHFFFAOYSA-N -2 0 371.780 3.078 20 0 FGADRL CC[C@H](c1ccccc1)S(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829025387 600974864 /nfs/dbraw/zinc/97/48/64/600974864.db2.gz BOJWDOMGPGLKHP-OAHLLOKOSA-N -2 0 363.435 3.079 20 0 FGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000831945078 601150164 /nfs/dbraw/zinc/15/01/64/601150164.db2.gz FPKCZWVVFRJPRT-UHFFFAOYSA-N -2 0 361.828 3.218 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000833029065 601234019 /nfs/dbraw/zinc/23/40/19/601234019.db2.gz AKQVLQJPUPFPPO-UHFFFAOYSA-N -2 0 363.313 3.192 20 0 FGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cc(C(=O)[O-])ccc2F)n1 ZINC000832890535 601272381 /nfs/dbraw/zinc/27/23/81/601272381.db2.gz WBYFTIRPTONCLC-UHFFFAOYSA-N -2 0 373.315 3.115 20 0 FGADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000326900180 601324230 /nfs/dbraw/zinc/32/42/30/601324230.db2.gz KTOVBDTVJXVKSN-YHYXMXQVSA-N -2 0 365.382 3.123 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)c2n1 ZINC000832961800 601329418 /nfs/dbraw/zinc/32/94/18/601329418.db2.gz GEAWMULZCKCUSQ-XYOKQWHBSA-N -2 0 368.414 3.442 20 0 FGADRL O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000833234777 601562550 /nfs/dbraw/zinc/56/25/50/601562550.db2.gz SZVZQZYOORANGS-UHFFFAOYSA-N -2 0 369.204 3.211 20 0 FGADRL CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000828764494 601597931 /nfs/dbraw/zinc/59/79/31/601597931.db2.gz KOOIAERBUPKDCK-JTQLQIEISA-N -2 0 367.448 3.079 20 0 FGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2)n1 ZINC000388019713 601771133 /nfs/dbraw/zinc/77/11/33/601771133.db2.gz ITKVLGXWFSCLAU-UHFFFAOYSA-N -2 0 360.844 3.005 20 0 FGADRL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cs3)cc(Cl)c2O1 ZINC000828516580 602116958 /nfs/dbraw/zinc/11/69/58/602116958.db2.gz NRSOTASFPANXBP-ZETCQYMHSA-N -2 0 373.839 3.224 20 0 FGADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000122499431 602118483 /nfs/dbraw/zinc/11/84/83/602118483.db2.gz FQEFIRYGNLVPNV-UHFFFAOYSA-N -2 0 368.480 3.078 20 0 FGADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c1 ZINC000740197773 602653348 /nfs/dbraw/zinc/65/33/48/602653348.db2.gz KVKKWXYRNJNWAD-UHFFFAOYSA-N -2 0 357.391 3.434 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2CN(C)C(=O)[O-])s1 ZINC000739542511 602654152 /nfs/dbraw/zinc/65/41/52/602654152.db2.gz SEQIPSIUVUNWSD-UHFFFAOYSA-N -2 0 354.453 3.221 20 0 FGADRL COc1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1NC(=O)[O-] ZINC000739868232 602869472 /nfs/dbraw/zinc/86/94/72/602869472.db2.gz GCQKMLNDHDLPLL-UHFFFAOYSA-N -2 0 373.390 3.134 20 0 FGADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000825449166 603402238 /nfs/dbraw/zinc/40/22/38/603402238.db2.gz KZLJKLFNXIOOSK-QMMMGPOBSA-N -2 0 374.340 3.233 20 0 FGADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000825449308 603402354 /nfs/dbraw/zinc/40/23/54/603402354.db2.gz NSZHNRYPAYBNOY-VIFPVBQESA-N -2 0 356.350 3.094 20 0 FGADRL O=C([O-])N1CCc2c(cccc2NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000831789700 603802335 /nfs/dbraw/zinc/80/23/35/603802335.db2.gz UBEGNVOJBVWONX-UHFFFAOYSA-N -2 0 369.402 3.405 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)cc1Cl ZINC000833750904 604760570 /nfs/dbraw/zinc/76/05/70/604760570.db2.gz HBLNEIDBJGMDCS-UHFFFAOYSA-N -2 0 372.855 3.481 20 0 FGADRL O=C([O-])CCOc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000833238490 604965849 /nfs/dbraw/zinc/96/58/49/604965849.db2.gz CWSHRYFRAIMOIP-UHFFFAOYSA-N -2 0 353.733 3.291 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)ccc1C(=O)[O-] ZINC000832904614 605013692 /nfs/dbraw/zinc/01/36/92/605013692.db2.gz VTGCSGVPMIRKCT-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL CC(C)CC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCC1 ZINC000833479505 605118703 /nfs/dbraw/zinc/11/87/03/605118703.db2.gz HDXAJAYUOLBQMR-UHFFFAOYSA-N -2 0 373.858 3.060 20 0 FGADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833475694 605166973 /nfs/dbraw/zinc/16/69/73/605166973.db2.gz SVERWBGTLUZQFZ-NSHDSACASA-N -2 0 369.418 3.128 20 0 FGADRL CC[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC[C@H]1NC(=O)[O-] ZINC000833848318 605377497 /nfs/dbraw/zinc/37/74/97/605377497.db2.gz AGPMBCNXOQYJLO-LDYMZIIASA-N -2 0 361.225 3.207 20 0 FGADRL O=C([O-])Cc1ccccc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000834068933 606052686 /nfs/dbraw/zinc/05/26/86/606052686.db2.gz NSDZOKBSWGXHQT-INIZCTEOSA-N -2 0 356.378 3.041 20 0 FGADRL O=C([O-])COc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000834067290 606057200 /nfs/dbraw/zinc/05/72/00/606057200.db2.gz ZOUQYZQSYOTJKN-UHFFFAOYSA-N -2 0 364.741 3.146 20 0 FGADRL O=C([O-])C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000834061430 606068122 /nfs/dbraw/zinc/06/81/22/606068122.db2.gz UHPBEVWWWQWZAW-CQSZACIVSA-N -2 0 364.304 3.001 20 0 FGADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000481612554 714094410 /nfs/dbraw/zinc/09/44/10/714094410.db2.gz MTPAUSZUVFCFLG-UHFFFAOYSA-N -2 0 374.340 3.216 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)c(F)c(Cl)c1F ZINC000779825588 724429071 /nfs/dbraw/zinc/42/90/71/724429071.db2.gz ZQQGVLOKUYJNOL-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1F ZINC000753079948 722884140 /nfs/dbraw/zinc/88/41/40/722884140.db2.gz OVPDRSHNZDXNNI-UHFFFAOYSA-N -2 0 370.358 3.074 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(=O)[O-] ZINC000753774317 722912471 /nfs/dbraw/zinc/91/24/71/722912471.db2.gz DZBVPWGHZLECSY-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000766578278 723582107 /nfs/dbraw/zinc/58/21/07/723582107.db2.gz UTZDQUXOTNEBBN-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC000771605969 723738789 /nfs/dbraw/zinc/73/87/89/723738789.db2.gz VJJODJFOSNAXRP-UHFFFAOYSA-N -2 0 353.346 3.341 20 0 FGADRL CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1O ZINC000775295658 723978847 /nfs/dbraw/zinc/97/88/47/723978847.db2.gz NWHWQIWZIGLSSY-UHFFFAOYSA-N -2 0 367.398 3.328 20 0 FGADRL CC(C)c1scnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000808128796 725185368 /nfs/dbraw/zinc/18/53/68/725185368.db2.gz GZYUYWXXGWXZBA-UHFFFAOYSA-N -2 0 360.844 3.419 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)nn1C(C)C ZINC000817358368 727243293 /nfs/dbraw/zinc/24/32/93/727243293.db2.gz XFQAHOFTEMCBMY-UHFFFAOYSA-N -2 0 371.846 3.233 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC000821116043 729059652 /nfs/dbraw/zinc/05/96/52/729059652.db2.gz HMSYYQHHLLJRIL-UHFFFAOYSA-N -2 0 360.416 3.309 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c(Cl)c1 ZINC000060367195 493926850 /nfs/dbraw/zinc/92/68/50/493926850.db2.gz UDYKQDLDUDECQO-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL Cc1cc(C(=O)Nc2ccc(C3CCC3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000577337397 505707916 /nfs/dbraw/zinc/70/79/16/505707916.db2.gz LBLPYMWOCJCOEL-UHFFFAOYSA-N -2 0 350.378 3.264 20 0 FGADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(C)c1C ZINC000580236887 505710537 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3.343 20 0 FGADRL COc1cc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)ccc1C(=O)[O-] ZINC000432778545 500561911 /nfs/dbraw/zinc/56/19/11/500561911.db2.gz ZHCLJRITRLVODX-UHFFFAOYSA-N -2 0 372.402 3.051 20 0 FGADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000434629910 500869663 /nfs/dbraw/zinc/86/96/63/500869663.db2.gz RQZGGSMFAGDFKE-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL COc1cccc(-c2nc(=NC(=O)c3ccc(Cl)cc3[O-])s[n-]2)c1 ZINC000436721571 501196992 /nfs/dbraw/zinc/19/69/92/501196992.db2.gz IXPBLYWJAAMZCA-UHFFFAOYSA-N -2 0 361.810 3.247 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2scnc2C(C)C)cc(C(=O)[O-])c1C ZINC000451103504 501246061 /nfs/dbraw/zinc/24/60/61/501246061.db2.gz OIKJZNOQLVTGNB-UHFFFAOYSA-N -2 0 354.453 3.382 20 0 FGADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000471123043 501927221 /nfs/dbraw/zinc/92/72/21/501927221.db2.gz ZQKIYLPTXKTXSS-UHFFFAOYSA-N -2 0 363.366 3.308 20 0 FGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000487431847 502442750 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FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)s1 ZINC000740177636 600694624 /nfs/dbraw/zinc/69/46/24/600694624.db2.gz OTSGYQCITFXCHM-UHFFFAOYSA-N -2 0 371.411 3.175 20 0 FGADRL O=C([O-])C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)c2ccccc21 ZINC000833219532 600968692 /nfs/dbraw/zinc/96/86/92/600968692.db2.gz SPBAYXTVAGIVHG-LLVKDONJSA-N -2 0 354.387 3.335 20 0 FGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000831945438 601203927 /nfs/dbraw/zinc/20/39/27/601203927.db2.gz GQUKDQAJDXNGDY-UHFFFAOYSA-N -2 0 365.791 3.048 20 0 FGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000832004811 601231068 /nfs/dbraw/zinc/23/10/68/601231068.db2.gz WGQDMOJJVRUJOE-UHFFFAOYSA-N -2 0 359.787 3.057 20 0 FGADRL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000827123802 601382404 /nfs/dbraw/zinc/38/24/04/601382404.db2.gz DSGQJPLTZUSIAD-UHFFFAOYSA-N -2 0 354.815 3.357 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cnc1Cl ZINC000832899590 601577532 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FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)ccc1C(=O)[O-] ZINC000832903688 602307988 /nfs/dbraw/zinc/30/79/88/602307988.db2.gz NKNTVBVSJKCEKT-UHFFFAOYSA-N -2 0 363.439 3.265 20 0 FGADRL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000740712905 602646756 /nfs/dbraw/zinc/64/67/56/602646756.db2.gz HRKTYCBEWHKZPN-UHFFFAOYSA-N -2 0 371.212 3.340 20 0 FGADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000739443889 602653952 /nfs/dbraw/zinc/65/39/52/602653952.db2.gz GCEVSXIHGHGLOW-UHFFFAOYSA-N -2 0 366.414 3.435 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC2CCCC2)o1 ZINC000833323678 604400219 /nfs/dbraw/zinc/40/02/19/604400219.db2.gz ZCMQSJVTSWHQBM-UHFFFAOYSA-N -2 0 369.370 3.239 20 0 FGADRL CCN(Cc1cccc([N-]S(=O)(=O)c2sccc2OC)c1)C(=O)[O-] ZINC000827169397 604422718 /nfs/dbraw/zinc/42/27/18/604422718.db2.gz BMDMCJGYWCERHA-UHFFFAOYSA-N -2 0 370.452 3.057 20 0 FGADRL Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833584145 604623589 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FGADRL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000834263187 605944317 /nfs/dbraw/zinc/94/43/17/605944317.db2.gz ZMGQQZVDAAPYGD-UHFFFAOYSA-N -2 0 359.363 3.232 20 0 FGADRL Cc1oc(CN(C)C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1C(=O)[O-] ZINC000833936614 606055034 /nfs/dbraw/zinc/05/50/34/606055034.db2.gz ZPYSMCUZCPXTPG-MRXNPFEDSA-N -2 0 374.393 3.034 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(Cl)cc1C ZINC000165995228 705342099 /nfs/dbraw/zinc/34/20/99/705342099.db2.gz LMJVWOMTUVDPNE-UHFFFAOYSA-N -2 0 354.815 3.105 20 0 FGADRL O=C([O-])Cc1csc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000238142731 713601261 /nfs/dbraw/zinc/60/12/61/713601261.db2.gz SXRKGLGTBWIQMQ-UHFFFAOYSA-N -2 0 363.782 3.331 20 0 FGADRL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000322430338 713813425 /nfs/dbraw/zinc/81/34/25/713813425.db2.gz BQEWVWAFDPRPMR-UHFFFAOYSA-N -2 0 359.375 3.186 20 0 FGADRL CCCOc1ccc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1 ZINC000327007655 713821258 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FGADRL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1nn(-c2ccccc2)cc1[O-] ZINC000769245516 723680478 /nfs/dbraw/zinc/68/04/78/723680478.db2.gz HUQOFBBVVLTBJS-UHFFFAOYSA-N -2 0 352.375 3.260 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ncsc2C2CC2)c1Cl ZINC000882772029 737489609 /nfs/dbraw/zinc/48/96/09/737489609.db2.gz CZZYQZJDHNHQAD-UHFFFAOYSA-N -2 0 372.855 3.481 20 0 FGADRL CCOc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc(Cl)c1O ZINC000910241478 744433353 /nfs/dbraw/zinc/43/33/53/744433353.db2.gz UZOJIVKLTFGCRJ-DYEKYZERSA-N -2 0 367.829 3.160 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)c(Br)s1 ZINC000032590634 208031393 /nfs/dbraw/zinc/03/13/93/208031393.db2.gz QLMXERVHHZWHEM-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000080941198 493796801 /nfs/dbraw/zinc/79/68/01/493796801.db2.gz AIRMUVZLAWBZEP-UHFFFAOYSA-N -2 0 359.325 3.165 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)c[nH]1 ZINC000068664897 493852938 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FGADRL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000572487614 505981368 /nfs/dbraw/zinc/98/13/68/505981368.db2.gz MEFUSNDBXPWGCA-IUCAKERBSA-N -2 0 369.817 3.176 20 0 FGADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)COC2 ZINC000326621890 498845460 /nfs/dbraw/zinc/84/54/60/498845460.db2.gz PYDQFIMXTGEDLU-UHFFFAOYSA-N -2 0 367.810 3.178 20 0 FGADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000327633480 498861311 /nfs/dbraw/zinc/86/13/11/498861311.db2.gz QHKFVSPLRDHRHV-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL CO[C@@H](C)c1nc(=NC(=O)c2cc(Cl)c3ccccc3c2[O-])s[n-]1 ZINC000436730193 501198744 /nfs/dbraw/zinc/19/87/44/501198744.db2.gz KBCDOGTZPCVDNW-QMMMGPOBSA-N -2 0 363.826 3.432 20 0 FGADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1 ZINC000436905350 501230116 /nfs/dbraw/zinc/23/01/16/501230116.db2.gz NXQBETGZSKHZAZ-UHFFFAOYSA-N -2 0 373.386 3.058 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)C)cc2)sc1C(=O)[O-] ZINC000451095829 501245383 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FGADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c32)ccc1C(=O)[O-] ZINC000548200432 504367635 /nfs/dbraw/zinc/36/76/35/504367635.db2.gz NYYKOUWEUCESJN-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1F ZINC000548206856 504367960 /nfs/dbraw/zinc/36/79/60/504367960.db2.gz DJZUYUSSJNROPY-UHFFFAOYSA-N -2 0 355.362 3.389 20 0 FGADRL COc1ccnc2c([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cccc12 ZINC000535765732 504537848 /nfs/dbraw/zinc/53/78/48/504537848.db2.gz HCPJPVVZGLLFPO-UHFFFAOYSA-N -2 0 372.402 3.051 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1C(=O)[O-] ZINC000532726174 504745934 /nfs/dbraw/zinc/74/59/34/504745934.db2.gz OJBOYZMVIZRJII-UHFFFAOYSA-N -2 0 355.799 3.107 20 0 FGADRL C[C@H](CCC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000565056702 504783841 /nfs/dbraw/zinc/78/38/41/504783841.db2.gz ZFDSNKXCLNQCOC-ZJUUUORDSA-N -2 0 351.827 3.037 20 0 FGADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c2ccccc2n1C ZINC000556346381 504850858 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FGADRL CCC(CC)c1n[n-]c(=NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)s1 ZINC000520306083 562153005 /nfs/dbraw/zinc/15/30/05/562153005.db2.gz OOQAYQZAXQVBTL-UHFFFAOYSA-N -2 0 359.411 3.037 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)o1 ZINC000392265465 599734803 /nfs/dbraw/zinc/73/48/03/599734803.db2.gz NHIGCQUQMGLJRX-UHFFFAOYSA-N -2 0 357.387 3.369 20 0 FGADRL Cc1cc2sc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)nc2c(C)c1 ZINC000738358168 599802434 /nfs/dbraw/zinc/80/24/34/599802434.db2.gz RZIDVNWWTPVQNO-UHFFFAOYSA-N -2 0 352.393 3.005 20 0 FGADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000740136271 599927156 /nfs/dbraw/zinc/92/71/56/599927156.db2.gz URXIWNBAWZFBKF-UHFFFAOYSA-N -2 0 350.783 3.320 20 0 FGADRL O=C([O-])CSCc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000739872249 599986358 /nfs/dbraw/zinc/98/63/58/599986358.db2.gz HRRFENJDRPKRSV-MRXNPFEDSA-N -2 0 373.430 3.201 20 0 FGADRL CC1=C(C(=O)[O-])[C@H](c2ccc(C(C)C)cc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736748752 599988940 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CCc1cnc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])s1 ZINC000830299931 600985189 /nfs/dbraw/zinc/98/51/89/600985189.db2.gz ZDMRPVRGTZAJHG-UHFFFAOYSA-N -2 0 368.461 3.419 20 0 FGADRL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000826705290 601186696 /nfs/dbraw/zinc/18/66/96/601186696.db2.gz OMXNCQOMDXHHNN-VIFPVBQESA-N -2 0 365.611 3.039 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1C(=O)[O-] ZINC000833029128 601232042 /nfs/dbraw/zinc/23/20/42/601232042.db2.gz BWNMUWKAESUSIP-UHFFFAOYSA-N -2 0 365.407 3.408 20 0 FGADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc2)o1 ZINC000833007848 601232071 /nfs/dbraw/zinc/23/20/71/601232071.db2.gz DZKLSJACWKFXIX-UHFFFAOYSA-N -2 0 362.363 3.050 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1C(=O)[O-] ZINC000833029357 601233297 /nfs/dbraw/zinc/23/32/97/601233297.db2.gz GZCMUZZHZCTQPO-UHFFFAOYSA-N -2 0 374.374 3.274 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1C(=O)[O-] ZINC000833030416 601233327 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Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)nn1C(C)C ZINC000421179669 499984245 /nfs/dbraw/zinc/98/42/45/499984245.db2.gz CUZXGFBRRNAQKW-UHFFFAOYSA-N -2 0 371.846 3.233 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427319784 500381168 /nfs/dbraw/zinc/38/11/68/500381168.db2.gz JMWGKYNMGJIPHB-UHFFFAOYSA-N -2 0 362.363 3.050 20 0 FGADRL COc1cc(C)cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1C ZINC000447277141 500583546 /nfs/dbraw/zinc/58/35/46/500583546.db2.gz GJDINJWLIZFDGF-UHFFFAOYSA-N -2 0 367.398 3.259 20 0 FGADRL CCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc21 ZINC000433511396 500706893 /nfs/dbraw/zinc/70/68/93/500706893.db2.gz QXTKGIQVNLJXAB-UHFFFAOYSA-N -2 0 374.418 3.256 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c(F)c1 ZINC000438767638 500818736 /nfs/dbraw/zinc/81/87/36/500818736.db2.gz RWIMLUFEMQBALX-UHFFFAOYSA-N -2 0 365.382 3.114 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)sc1C(=O)[O-] ZINC000436160667 501081185 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Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000479560981 502296695 /nfs/dbraw/zinc/29/66/95/502296695.db2.gz BPGOUYNTQGRNTK-UHFFFAOYSA-N -2 0 363.435 3.497 20 0 FGADRL CCc1ccccc1S(=O)(=O)[N-]c1c(OC)ccc(Cl)c1C(=O)[O-] ZINC000488259893 502672605 /nfs/dbraw/zinc/67/26/05/502672605.db2.gz DAJDKJNPJLMVTB-UHFFFAOYSA-N -2 0 369.826 3.410 20 0 FGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000484960630 502787705 /nfs/dbraw/zinc/78/77/05/502787705.db2.gz DHVHJAPMYQUTHU-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000484989252 502794039 /nfs/dbraw/zinc/79/40/39/502794039.db2.gz SMIZGVHLXKKWMC-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL CCc1ccc(S(=O)(=O)Nc2ccc(F)c(C(C)=O)c2)cc1C(=O)[O-] ZINC000507588349 503327363 /nfs/dbraw/zinc/32/73/63/503327363.db2.gz YZJVUZVXEMDPGE-UHFFFAOYSA-N -2 0 365.382 3.090 20 0 FGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000504665801 503602800 /nfs/dbraw/zinc/60/28/00/503602800.db2.gz LTFHFCVTNHYUFR-JTQLQIEISA-N -2 0 357.478 3.423 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c(C(=O)[O-])c1 ZINC000504666162 503602984 /nfs/dbraw/zinc/60/29/84/503602984.db2.gz PCYNYVDAMCPSDA-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000543951527 503948599 /nfs/dbraw/zinc/94/85/99/503948599.db2.gz IYZFNEMIVLBMJB-UHFFFAOYSA-N -2 0 373.839 3.412 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000547547879 504146727 /nfs/dbraw/zinc/14/67/27/504146727.db2.gz DPTMZBRLGKFFHT-UHFFFAOYSA-N -2 0 357.334 3.095 20 0 FGADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000548263031 504377795 /nfs/dbraw/zinc/37/77/95/504377795.db2.gz NVHFJQDQADTQLN-SCSAIBSYSA-N -2 0 366.144 3.384 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000520627303 504544131 /nfs/dbraw/zinc/54/41/31/504544131.db2.gz JJCAWZWBUAJZLK-UHFFFAOYSA-N -2 0 373.427 3.482 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000564840791 505535170 /nfs/dbraw/zinc/53/51/70/505535170.db2.gz VNKXUQMAQOPDCL-UHFFFAOYSA-N -2 0 371.361 3.004 20 0 FGADRL CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000608342786 506517922 /nfs/dbraw/zinc/51/79/22/506517922.db2.gz LOJCUDMBHAMZDF-UHFFFAOYSA-N -2 0 363.435 3.319 20 0 FGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1C ZINC000589435376 506547518 /nfs/dbraw/zinc/54/75/18/506547518.db2.gz VCQRRWBELNVUBT-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1ccc(Br)c([O-])c1 ZINC000492549754 515542618 /nfs/dbraw/zinc/54/26/18/515542618.db2.gz LKLCHZDVLOGQDE-UHFFFAOYSA-N -2 0 350.094 3.149 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(Cl)cc1F ZINC000818853213 597043451 /nfs/dbraw/zinc/04/34/51/597043451.db2.gz RYXQIMYUEBBXFV-UHFFFAOYSA-N -2 0 357.790 3.215 20 0 FGADRL CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)ccc2o1 ZINC000736303841 599737364 /nfs/dbraw/zinc/73/73/64/599737364.db2.gz OVWWCKIZALNVRE-UHFFFAOYSA-N -2 0 364.379 3.217 20 0 FGADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cn2)cc1 ZINC000738648663 599737712 /nfs/dbraw/zinc/73/77/12/599737712.db2.gz HSRRTTNZXQQBTC-UHFFFAOYSA-N -2 0 374.374 3.274 20 0 FGADRL Cc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC000738287262 599738639 /nfs/dbraw/zinc/73/86/39/599738639.db2.gz FDIRAQQTTKDDRR-UHFFFAOYSA-N -2 0 350.179 3.394 20 0 FGADRL CCC1=C(C(=O)[O-])[C@H](c2ccc(C)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736931191 599987943 /nfs/dbraw/zinc/98/79/43/599987943.db2.gz CMTIDKBNBJTDGI-SFHVURJKSA-N -2 0 374.437 3.455 20 0 FGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)c1C(=O)[O-] ZINC000323859767 600050641 /nfs/dbraw/zinc/05/06/41/600050641.db2.gz ONAVKOFTCMXOFE-UHFFFAOYSA-N -2 0 366.420 3.314 20 0 FGADRL Cc1nc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)sc1C(=O)[O-] ZINC000738865612 600054815 /nfs/dbraw/zinc/05/48/15/600054815.db2.gz ZXDFGNNLKBDWHA-UHFFFAOYSA-N -2 0 368.480 3.493 20 0 FGADRL O=C([O-])Nc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000738666334 600101988 /nfs/dbraw/zinc/10/19/88/600101988.db2.gz FDSSFKNBLFEASP-UHFFFAOYSA-N -2 0 351.156 3.497 20 0 FGADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000097653496 600683568 /nfs/dbraw/zinc/68/35/68/600683568.db2.gz XWRGMWAIFVKAHN-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)cc2Br)cc1C(=O)[O-] ZINC000832952913 601231037 /nfs/dbraw/zinc/23/10/37/601231037.db2.gz LJHAPNWWFFOLMV-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1C(=O)[O-] ZINC000832898173 601231189 /nfs/dbraw/zinc/23/11/89/601231189.db2.gz DVISJGKQENSKCB-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1C(=O)[O-] ZINC000833030459 601233307 /nfs/dbraw/zinc/23/33/07/601233307.db2.gz XOUCJPJEBHZQCY-UHFFFAOYSA-N -2 0 363.395 3.018 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1C(=O)[O-] ZINC000833029132 601233965 /nfs/dbraw/zinc/23/39/65/601233965.db2.gz BYLSFRWDZYCPJG-UHFFFAOYSA-N -2 0 374.374 3.274 20 0 FGADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000833335355 601402923 /nfs/dbraw/zinc/40/29/23/601402923.db2.gz TWFXUXOKWLCLCI-UHFFFAOYSA-N -2 0 354.387 3.248 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)ccc1F ZINC000324175745 601474282 /nfs/dbraw/zinc/47/42/82/601474282.db2.gz PAZRWQQVSGWBSF-UHFFFAOYSA-N -2 0 363.288 3.344 20 0 FGADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000739924619 602652608 /nfs/dbraw/zinc/65/26/08/602652608.db2.gz STFWVUDVZZDYMY-UHFFFAOYSA-N -2 0 374.777 3.378 20 0 FGADRL CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C)s2)c1)C(=O)[O-] ZINC000739446727 602654154 /nfs/dbraw/zinc/65/41/54/602654154.db2.gz MZXBLOCLCJOVSU-UHFFFAOYSA-N -2 0 354.453 3.357 20 0 FGADRL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000825442591 603185157 /nfs/dbraw/zinc/18/51/57/603185157.db2.gz KXYNKEGSASDEJE-LLVKDONJSA-N -2 0 351.362 3.109 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)c(F)c1 ZINC000830421456 603401183 /nfs/dbraw/zinc/40/11/83/603401183.db2.gz VVEBKCRHHBKDRA-LLVKDONJSA-N -2 0 352.387 3.264 20 0 FGADRL Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833584146 604623666 /nfs/dbraw/zinc/62/36/66/604623666.db2.gz OHQCXXXAGKOIJP-OAHLLOKOSA-N -2 0 371.780 3.016 20 0 FGADRL CC(C)c1cccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c1 ZINC000827134160 604624136 /nfs/dbraw/zinc/62/41/36/604624136.db2.gz HPLZAUNCJXPBQF-UHFFFAOYSA-N -2 0 354.453 3.085 20 0 FGADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833516259 604990720 /nfs/dbraw/zinc/99/07/20/604990720.db2.gz UEDZODLBELXQSR-SECBINFHSA-N -2 0 369.830 3.007 20 0 FGADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])cc1 ZINC000833401937 605022398 /nfs/dbraw/zinc/02/23/98/605022398.db2.gz UPNDIKMVBPJZHM-UHFFFAOYSA-N -2 0 353.421 3.067 20 0 FGADRL CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1 ZINC000833421944 605203624 /nfs/dbraw/zinc/20/36/24/605203624.db2.gz NSAAYNRDMHNZBL-UHFFFAOYSA-N -2 0 367.448 3.476 20 0 FGADRL CC(C)COc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1 ZINC000833490345 605203859 /nfs/dbraw/zinc/20/38/59/605203859.db2.gz AJPAOBWBJLJMKI-UHFFFAOYSA-N -2 0 355.437 3.282 20 0 FGADRL Cc1sc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(C(=O)[O-])c1C ZINC000833758154 605303085 /nfs/dbraw/zinc/30/30/85/605303085.db2.gz PEHRELJDZXBSGW-UHFFFAOYSA-N -2 0 362.432 3.412 20 0 FGADRL CCCN(C(=O)c1cc(F)cc(Cl)c1[O-])C1CCN(C(=O)[O-])CC1 ZINC000826883894 605823123 /nfs/dbraw/zinc/82/31/23/605823123.db2.gz CQWCJOTZYLPYGW-UHFFFAOYSA-N -2 0 358.797 3.179 20 0 FGADRL O=C([O-])C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1cccs1 ZINC000834061241 606034501 /nfs/dbraw/zinc/03/45/01/606034501.db2.gz RIQIZUGAVPEWML-LLVKDONJSA-N -2 0 368.798 3.437 20 0 FGADRL O=C([O-])Nc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000834258864 606072121 /nfs/dbraw/zinc/07/21/21/606072121.db2.gz UKHSTWWUXNEUNN-ZDUSSCGKSA-N -2 0 366.732 3.125 20 0 FGADRL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000159905860 705237240 /nfs/dbraw/zinc/23/72/40/705237240.db2.gz ADPMXVXMSNEQGZ-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC000193501669 712893652 /nfs/dbraw/zinc/89/36/52/712893652.db2.gz UPHPQUOXQXHRST-UHFFFAOYSA-N -2 0 354.815 3.105 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000323949031 713815067 /nfs/dbraw/zinc/81/50/67/713815067.db2.gz NFHCEDUDKWSLIY-UHFFFAOYSA-N -2 0 370.770 3.056 20 0 FGADRL CCn1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000325121758 713817206 /nfs/dbraw/zinc/81/72/06/713817206.db2.gz WKTCSAVSCHCNPU-UHFFFAOYSA-N -2 0 362.329 3.026 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc(C(=O)[O-])c1 ZINC000507629647 714120510 /nfs/dbraw/zinc/12/05/10/714120510.db2.gz KSCVMBMHWXGBBU-UHFFFAOYSA-N -2 0 357.334 3.095 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O)cc(Cl)c1Cl ZINC000751203693 722797911 /nfs/dbraw/zinc/79/79/11/722797911.db2.gz VQUOJFSWXYTDBK-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)cc(C(=O)[O-])c1Cl ZINC000759103147 722999585 /nfs/dbraw/zinc/99/95/85/722999585.db2.gz SNHDJEBQVBECFB-UHFFFAOYSA-N -2 0 371.846 3.168 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793409061 723434813 /nfs/dbraw/zinc/43/48/13/723434813.db2.gz NZCZHJINVZNKLR-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000766572291 723581735 /nfs/dbraw/zinc/58/17/35/723581735.db2.gz ZNANZZJXCFWHQZ-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC000766586472 723582574 /nfs/dbraw/zinc/58/25/74/723582574.db2.gz SGHYSBPLNBVBBB-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000775296040 723978854 /nfs/dbraw/zinc/97/88/54/723978854.db2.gz ZHEZFSKLGGIGAO-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000806633735 725138560 /nfs/dbraw/zinc/13/85/60/725138560.db2.gz BTXIKNDGGXEYRB-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000071081130 494086818 /nfs/dbraw/zinc/08/68/18/494086818.db2.gz XFBNAFXUMAMNKN-UHFFFAOYSA-N -2 0 371.201 3.364 20 0 FGADRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000055548562 494359024 /nfs/dbraw/zinc/35/90/24/494359024.db2.gz OBNKFUCYDYXDFZ-UHFFFAOYSA-N -2 0 370.308 3.076 20 0 FGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c1 ZINC000134621599 495177812 /nfs/dbraw/zinc/17/78/12/495177812.db2.gz AYBUEJIXRRIVDY-UHFFFAOYSA-N -2 0 351.399 3.342 20 0 FGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c1 ZINC000156322684 496214572 /nfs/dbraw/zinc/21/45/72/496214572.db2.gz VVPMQQAXGMZGGU-UHFFFAOYSA-N -2 0 374.393 3.490 20 0 FGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000172605522 496360830 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Cc1ccc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])c(C)c1 ZINC000736751445 599988959 /nfs/dbraw/zinc/98/89/59/599988959.db2.gz PVVCFMHFSAKGNS-GOSISDBHSA-N -2 0 374.437 3.373 20 0 FGADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)n1 ZINC000738633904 600054246 /nfs/dbraw/zinc/05/42/46/600054246.db2.gz WLWPZVOYRSOXBN-UHFFFAOYSA-N -2 0 374.443 3.238 20 0 FGADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000737051226 600126705 /nfs/dbraw/zinc/12/67/05/600126705.db2.gz ROETVLPNMAIFSZ-UHFFFAOYSA-N -2 0 373.434 3.254 20 0 FGADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000738577388 600237340 /nfs/dbraw/zinc/23/73/40/600237340.db2.gz UNSCDTPQDXEYDS-UHFFFAOYSA-N -2 0 371.361 3.404 20 0 FGADRL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736982855 600271744 /nfs/dbraw/zinc/27/17/44/600271744.db2.gz DIQDVPNBKWNCAA-NSHDSACASA-N -2 0 361.485 3.248 20 0 FGADRL CN(Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1)C(=O)[O-] ZINC000737485859 600299501 /nfs/dbraw/zinc/29/95/01/600299501.db2.gz IZUPCJVKZOUYOK-UHFFFAOYSA-N -2 0 354.815 3.251 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2nc3ccsc3s2)c1C(=O)[O-] ZINC000738746177 600473410 /nfs/dbraw/zinc/47/34/10/600473410.db2.gz FKGFOEFRJUHWOB-UHFFFAOYSA-N -2 0 354.434 3.165 20 0 FGADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000740248510 600515320 /nfs/dbraw/zinc/51/53/20/600515320.db2.gz BRHDAQDIOWWXOQ-UHFFFAOYSA-N -2 0 366.398 3.152 20 0 FGADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000826127233 600775127 /nfs/dbraw/zinc/77/51/27/600775127.db2.gz QHFQZVQTQCBRBH-UHFFFAOYSA-N -2 0 365.389 3.192 20 0 FGADRL Cc1ccc2nc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)sc2c1 ZINC000315766662 600974287 /nfs/dbraw/zinc/97/42/87/600974287.db2.gz ZOZCAWJZWSBHHI-UHFFFAOYSA-N -2 0 354.434 3.165 20 0 FGADRL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)nc21 ZINC000832904560 600975257 /nfs/dbraw/zinc/97/52/57/600975257.db2.gz SRMPZARBYCLRLK-UHFFFAOYSA-N -2 0 362.432 3.412 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1C(=O)[O-] ZINC000833029383 601231340 /nfs/dbraw/zinc/23/13/40/601231340.db2.gz HRROBPJNVILOTN-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1C(=O)[O-] ZINC000833030527 601233341 /nfs/dbraw/zinc/23/33/41/601233341.db2.gz ZUHKPKKEPSVTKP-UHFFFAOYSA-N -2 0 365.407 3.014 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1C(=O)[O-] ZINC000833029873 601235199 /nfs/dbraw/zinc/23/51/99/601235199.db2.gz NNLNXRJHIJIMHE-UHFFFAOYSA-N -2 0 369.370 3.157 20 0 FGADRL Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832853414 601335627 /nfs/dbraw/zinc/33/56/27/601335627.db2.gz KASSNOCJTXMYRG-UHFFFAOYSA-N -2 0 367.423 3.402 20 0 FGADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1OCC ZINC000324910678 601357846 /nfs/dbraw/zinc/35/78/46/601357846.db2.gz XHCXHWYUUIDDEC-UHFFFAOYSA-N -2 0 371.436 3.045 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cn2)c(Cl)cc1Cl ZINC000316139971 601359431 /nfs/dbraw/zinc/35/94/31/601359431.db2.gz IJNIFAXGLKNKPG-UHFFFAOYSA-N -2 0 365.169 3.027 20 0 FGADRL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832935557 601384610 /nfs/dbraw/zinc/38/46/10/601384610.db2.gz RWHTVDARXCGSRI-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142055 601831219 /nfs/dbraw/zinc/83/12/19/601831219.db2.gz KOVRXVBPNICATB-UHFFFAOYSA-N -2 0 359.375 3.186 20 0 FGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000833345639 601832818 /nfs/dbraw/zinc/83/28/18/601832818.db2.gz FWZAIJMNCUYOQW-UHFFFAOYSA-N -2 0 366.445 3.371 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1F ZINC000832887387 601881869 /nfs/dbraw/zinc/88/18/69/601881869.db2.gz VOVQDPTYGJISHP-UHFFFAOYSA-N -2 0 360.313 3.303 20 0 FGADRL O=C([O-])CCCCCCCNS(=O)(=O)c1cc(F)ccc1Cl ZINC000403231385 601962197 /nfs/dbraw/zinc/96/21/97/601962197.db2.gz BZODLHILYRRVNT-UHFFFAOYSA-N -2 0 351.827 3.183 20 0 FGADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n[nH]1 ZINC000829216688 602102096 /nfs/dbraw/zinc/10/20/96/602102096.db2.gz RRYKLGIDIRLINB-SECBINFHSA-N -2 0 371.846 3.466 20 0 FGADRL COc1ccsc1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000760343809 602112675 /nfs/dbraw/zinc/11/26/75/602112675.db2.gz HHAAHNPOFFMFRQ-UHFFFAOYSA-N -2 0 363.416 3.409 20 0 FGADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000122502529 602118336 /nfs/dbraw/zinc/11/83/36/602118336.db2.gz YYOSOXFBICPXQV-UHFFFAOYSA-N -2 0 372.443 3.288 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c1C ZINC000165995622 602158342 /nfs/dbraw/zinc/15/83/42/602158342.db2.gz QFHSBLFGWYMZAC-UHFFFAOYSA-N -2 0 354.815 3.159 20 0 FGADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC000739925070 602652554 /nfs/dbraw/zinc/65/25/54/602652554.db2.gz ZYYZLJOANRKSKX-UHFFFAOYSA-N -2 0 354.359 3.033 20 0 FGADRL O=C([O-])CCc1csc(NC(=O)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000833240838 604724696 /nfs/dbraw/zinc/72/46/96/604724696.db2.gz PYPZXIVUJHCZGQ-UHFFFAOYSA-N -2 0 361.206 3.425 20 0 FGADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000771160728 604805889 /nfs/dbraw/zinc/80/58/89/604805889.db2.gz PFVIODMTRJSMJD-UHFFFAOYSA-N -2 0 367.810 3.432 20 0 FGADRL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833511463 605053880 /nfs/dbraw/zinc/05/38/80/605053880.db2.gz UFQWBIOCLACMSH-UHFFFAOYSA-N -2 0 354.815 3.357 20 0 FGADRL Cc1sc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(C(=O)[O-])c1C ZINC000833758118 605302897 /nfs/dbraw/zinc/30/28/97/605302897.db2.gz NMOBFUPBCWQLBX-UHFFFAOYSA-N -2 0 367.448 3.189 20 0 FGADRL O=C([O-])Nc1cc2c(cc1NC(=O)c1c([O-])cccc1Cl)OCO2 ZINC000834256682 605655889 /nfs/dbraw/zinc/65/58/89/605655889.db2.gz PACUKDYAECBQCE-UHFFFAOYSA-N -2 0 350.714 3.117 20 0 FGADRL O=C([O-])N1CCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2[O-])CC1 ZINC000834287388 605992398 /nfs/dbraw/zinc/99/23/98/605992398.db2.gz KRBUKWSHRHMTMF-AWEZNQCLSA-N -2 0 352.818 3.040 20 0 FGADRL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000013263023 695609589 /nfs/dbraw/zinc/60/95/89/695609589.db2.gz OZFFKSRHNJZYGS-UHFFFAOYSA-N -2 0 362.794 3.387 20 0 FGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000179242871 705694410 /nfs/dbraw/zinc/69/44/10/705694410.db2.gz HMJAAKKWROKRPW-UHFFFAOYSA-N -2 0 370.358 3.074 20 0 FGADRL O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000182495015 705846344 /nfs/dbraw/zinc/84/63/44/705846344.db2.gz OQESUBWFWWLRDP-UHFFFAOYSA-N -2 0 363.178 3.408 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc(C(=O)[O-])c1F ZINC000190850745 712824934 /nfs/dbraw/zinc/82/49/34/712824934.db2.gz MFEIBPUIBUOLPB-UHFFFAOYSA-N -2 0 362.382 3.125 20 0 FGADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000323905522 713814994 /nfs/dbraw/zinc/81/49/94/713814994.db2.gz QPAKEDWLYQFTOQ-UHFFFAOYSA-N -2 0 353.371 3.112 20 0 FGADRL COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000327510104 713823113 /nfs/dbraw/zinc/82/31/13/713823113.db2.gz SGRYLGSBBXJGDV-UHFFFAOYSA-N -2 0 367.423 3.393 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)c2n1 ZINC000392926245 713990502 /nfs/dbraw/zinc/99/05/02/713990502.db2.gz MKAOAOKRICKGPP-UHFFFAOYSA-N -2 0 356.403 3.183 20 0 FGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000504254359 714115107 /nfs/dbraw/zinc/11/51/07/714115107.db2.gz SHYJSLKSVGPAFK-UHFFFAOYSA-N -2 0 372.830 3.059 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2scnc2C(C)C)c1C ZINC000579798631 714497526 /nfs/dbraw/zinc/49/75/26/714497526.db2.gz ZDCQVKJGDGERQE-UHFFFAOYSA-N -2 0 354.453 3.382 20 0 FGADRL Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000779838056 724429913 /nfs/dbraw/zinc/42/99/13/724429913.db2.gz WGGZRHGKDGXMAP-UHFFFAOYSA-N -2 0 367.782 3.487 20 0 FGADRL Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000780416580 724464670 /nfs/dbraw/zinc/46/46/70/724464670.db2.gz KIQFMIMBJGVXMY-UHFFFAOYSA-N -2 0 366.345 3.254 20 0 FGADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000780420278 724465112 /nfs/dbraw/zinc/46/51/12/724465112.db2.gz IATRGOHUYUPZRL-UHFFFAOYSA-N -2 0 353.421 3.067 20 0 FGADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1O ZINC000753778327 722912866 /nfs/dbraw/zinc/91/28/66/722912866.db2.gz DOUJIFCZGXZADE-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cnc1Cl ZINC000759680590 723016321 /nfs/dbraw/zinc/01/63/21/723016321.db2.gz NPGQOYNZACEGEM-UHFFFAOYSA-N -2 0 366.826 3.031 20 0 FGADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761953657 723200896 /nfs/dbraw/zinc/20/08/96/723200896.db2.gz DFZDITJQPIGZJW-UHFFFAOYSA-N -2 0 365.169 3.027 20 0 FGADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000766571753 723581776 /nfs/dbraw/zinc/58/17/76/723581776.db2.gz UVFYGELVLOIKDH-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767732320 723631706 /nfs/dbraw/zinc/63/17/06/723631706.db2.gz CEQMFHILLRHZEK-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000775294775 723978330 /nfs/dbraw/zinc/97/83/30/723978330.db2.gz GLHDQGAOHIQFCO-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)ccc1Cl ZINC000775296960 723979191 /nfs/dbraw/zinc/97/91/91/723979191.db2.gz GCWOMYVVWQAHSV-UHFFFAOYSA-N -2 0 350.783 3.320 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc(Cl)c1F ZINC000775298083 723979529 /nfs/dbraw/zinc/97/95/29/723979529.db2.gz PKWZASLSUDQJRI-UHFFFAOYSA-N -2 0 368.773 3.459 20 0 FGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000776742344 724177674 /nfs/dbraw/zinc/17/76/74/724177674.db2.gz UKCCELHUXOLPPZ-UHFFFAOYSA-N -2 0 358.416 3.042 20 0 FGADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000806636429 725138369 /nfs/dbraw/zinc/13/83/69/725138369.db2.gz NYBIMHDGGZDANK-JTQLQIEISA-N -2 0 368.842 3.107 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)cc1C(=O)[O-] ZINC000833027409 729737688 /nfs/dbraw/zinc/73/76/88/729737688.db2.gz SONPJBRRRNSWKV-UHFFFAOYSA-N -2 0 353.396 3.090 20 0 FGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ncsc2C2CC2)cc1C(=O)[O-] ZINC000882771239 737488875 /nfs/dbraw/zinc/48/88/75/737488875.db2.gz UEDHWBVZMKJQFY-UHFFFAOYSA-N -2 0 352.437 3.136 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000573760716 505612150 /nfs/dbraw/zinc/61/21/50/505612150.db2.gz GHPSFFIXQOEQPI-UHFFFAOYSA-N -2 0 367.398 3.173 20 0 FGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000061564234 493983402 /nfs/dbraw/zinc/98/34/02/493983402.db2.gz ZMVFYFDIYZXXLS-UHFFFAOYSA-N -2 0 353.755 3.179 20 0 FGADRL CCc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(C(=O)[O-])c1 ZINC000038930523 494119536 /nfs/dbraw/zinc/11/95/36/494119536.db2.gz ITXRHJKPLYDVIR-UHFFFAOYSA-N -2 0 356.403 3.296 20 0 FGADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000042627995 494231768 /nfs/dbraw/zinc/23/17/68/494231768.db2.gz LFCLCCDFZSJVMQ-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1C ZINC000055311215 494325619 /nfs/dbraw/zinc/32/56/19/494325619.db2.gz PHJQUMQUGJZKQY-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000055548521 494358809 /nfs/dbraw/zinc/35/88/09/494358809.db2.gz ZIMDFBHHCCDHFT-UHFFFAOYSA-N -2 0 370.308 3.076 20 0 FGADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)s1 ZINC000181768728 496536908 /nfs/dbraw/zinc/53/69/08/496536908.db2.gz MPUUISIZCDGDNX-VIFPVBQESA-N -2 0 354.453 3.139 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c1C#N ZINC000181773652 496538040 /nfs/dbraw/zinc/53/80/40/496538040.db2.gz UHKQULDNCWAQHH-ZDUSSCGKSA-N -2 0 358.419 3.246 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)c1 ZINC000578496412 505954107 /nfs/dbraw/zinc/95/41/07/505954107.db2.gz BZRNYOQXKSIRCH-UHFFFAOYSA-N -2 0 365.432 3.156 20 0 FGADRL CC(C)c1nc(/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)ncc1C(=O)[O-] ZINC000285127140 498000498 /nfs/dbraw/zinc/00/04/98/498000498.db2.gz NKYMIDBEIZFXNR-UVMWJGKXSA-N -2 0 356.378 3.321 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccncc2)ccc1C ZINC000363297216 498750008 /nfs/dbraw/zinc/75/00/08/498750008.db2.gz MPNBGNHEBTWPCQ-UHFFFAOYSA-N -2 0 372.402 3.457 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1F ZINC000313937260 498772688 /nfs/dbraw/zinc/77/26/88/498772688.db2.gz HQXOHDKBVKBPGS-UHFFFAOYSA-N -2 0 374.187 3.087 20 0 FGADRL CCc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C(=O)[O-])c1 ZINC000326770963 498847400 /nfs/dbraw/zinc/84/74/00/498847400.db2.gz QUKBROFKSSICDU-UHFFFAOYSA-N -2 0 359.325 3.165 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(OC)c1C ZINC000327010444 498850422 /nfs/dbraw/zinc/85/04/22/498850422.db2.gz QMTUXTDBKLGMMB-UHFFFAOYSA-N -2 0 363.435 3.373 20 0 FGADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000392072885 499557989 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C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000739008465 602460340 /nfs/dbraw/zinc/46/03/40/602460340.db2.gz LYFFCCYMPDNQCX-MRVPVSSYSA-N -2 0 361.225 3.207 20 0 FGADRL O=C([O-])N1CCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2C1 ZINC000740530277 602490915 /nfs/dbraw/zinc/49/09/15/602490915.db2.gz ODLYOSKTUKCWQI-UHFFFAOYSA-N -2 0 366.826 3.177 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000827589330 603400760 /nfs/dbraw/zinc/40/07/60/603400760.db2.gz HBRVGXGSYPOWMI-JTQLQIEISA-N -2 0 354.453 3.440 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)c(F)c1 ZINC000830421457 603401512 /nfs/dbraw/zinc/40/15/12/603401512.db2.gz VVEBKCRHHBKDRA-NSHDSACASA-N -2 0 352.387 3.264 20 0 FGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830333495 603404135 /nfs/dbraw/zinc/40/41/35/603404135.db2.gz YDYOYBKXDSEFRB-NSHDSACASA-N -2 0 352.387 3.264 20 0 FGADRL O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1[O-] ZINC000832715244 604090698 /nfs/dbraw/zinc/09/06/98/604090698.db2.gz QJPJKBSEVLVXAY-UHFFFAOYSA-N -2 0 360.797 3.406 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)cc1C ZINC000833751185 604759928 /nfs/dbraw/zinc/75/99/28/604759928.db2.gz QSRHYRDWTLHABY-UHFFFAOYSA-N -2 0 352.437 3.136 20 0 FGADRL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000833429954 605138134 /nfs/dbraw/zinc/13/81/34/605138134.db2.gz BGLAHIJYEROBQX-UHFFFAOYSA-N -2 0 372.443 3.370 20 0 FGADRL O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000834059403 605307002 /nfs/dbraw/zinc/30/70/02/605307002.db2.gz JQNRXPLIXCFJIB-UHFFFAOYSA-N -2 0 356.378 3.284 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)c(C)c1 ZINC000833662693 605418672 /nfs/dbraw/zinc/41/86/72/605418672.db2.gz KMFTWSZLVDGRSP-UHFFFAOYSA-N -2 0 353.396 3.048 20 0 FGADRL O=C([O-])N[C@H](CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000834130561 606057211 /nfs/dbraw/zinc/05/72/11/606057211.db2.gz SMBPWOPKTXIPFA-CQSZACIVSA-N -2 0 362.769 3.376 20 0 FGADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000013264827 695609742 /nfs/dbraw/zinc/60/97/42/695609742.db2.gz KHFJIENUJNLVQV-UHFFFAOYSA-N -2 0 374.187 3.087 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)sc1Cl ZINC000317745665 713808322 /nfs/dbraw/zinc/80/83/22/713808322.db2.gz UEULOCWURJVEMR-UHFFFAOYSA-N -2 0 367.782 3.487 20 0 FGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000328233749 713824802 /nfs/dbraw/zinc/82/48/02/713824802.db2.gz YCAHMKHXAJLOEL-UHFFFAOYSA-N -2 0 364.329 3.012 20 0 FGADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000783874736 724799064 /nfs/dbraw/zinc/79/90/64/724799064.db2.gz WYVSORDCRQQRBF-UHFFFAOYSA-N -2 0 371.773 3.181 20 0 FGADRL CCc1ncc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])s1 ZINC000681561249 722211267 /nfs/dbraw/zinc/21/12/67/722211267.db2.gz CNLHLFKSTVATNQ-UHFFFAOYSA-N -2 0 360.844 3.166 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc(C(F)(F)F)c1 ZINC000683071325 722279778 /nfs/dbraw/zinc/27/97/78/722279778.db2.gz JHFTXTKSMRRKPO-UHFFFAOYSA-N -2 0 363.313 3.414 20 0 FGADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000753783487 722913175 /nfs/dbraw/zinc/91/31/75/722913175.db2.gz OFDQLTZRHGGURV-UHFFFAOYSA-N -2 0 365.382 3.226 20 0 FGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1C ZINC000790418613 723138011 /nfs/dbraw/zinc/13/80/11/723138011.db2.gz XPHFTUZMQANRES-JTQLQIEISA-N -2 0 369.418 3.109 20 0 FGADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000761886978 723193286 /nfs/dbraw/zinc/19/32/86/723193286.db2.gz MVTCBYVLORKGIS-UHFFFAOYSA-N -2 0 367.810 3.350 20 0 FGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)cc1C ZINC000794612218 723535106 /nfs/dbraw/zinc/53/51/06/723535106.db2.gz IIVKDXJQTKWSCX-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(O)c1 ZINC000799930638 724115004 /nfs/dbraw/zinc/11/50/04/724115004.db2.gz XTDUTNNLSPCGRD-UHFFFAOYSA-N -2 0 367.398 3.328 20 0 FGADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000800844240 724236232 /nfs/dbraw/zinc/23/62/32/724236232.db2.gz PZJYFTYXKSRIKV-UHFFFAOYSA-N -2 0 365.194 3.043 20 0 FGADRL O=C(CSc1n[n-]c(=S)s1)Nc1cc(Cl)c([O-])cc1F ZINC000805255472 725059731 /nfs/dbraw/zinc/05/97/31/725059731.db2.gz RRYWOEMLEHHQTG-UHFFFAOYSA-N -2 0 351.837 3.056 20 0 FGADRL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000808128609 725185297 /nfs/dbraw/zinc/18/52/97/725185297.db2.gz CATRGHYJVWHNIZ-UHFFFAOYSA-N -2 0 360.844 3.419 20 0 FGADRL CC(C)c1scnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000808130454 725185473 /nfs/dbraw/zinc/18/54/73/725185473.db2.gz NHOLLZAROQZEMF-UHFFFAOYSA-N -2 0 362.379 3.044 20 0 FGADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc3cccnc32)c1 ZINC000821107360 729058458 /nfs/dbraw/zinc/05/84/58/729058458.db2.gz XLWBCRGVARBCBU-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000917759504 758267597 /nfs/dbraw/zinc/26/75/97/758267597.db2.gz BGEZFHJRJRWMBR-UHFFFAOYSA-N -2 0 370.814 3.021 20 0 FGADRL Cn1cc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)cc1C(=O)[O-] ZINC000573835543 505631733 /nfs/dbraw/zinc/63/17/33/505631733.db2.gz SVEYROCVLHQBQG-UHFFFAOYSA-N -2 0 356.403 3.191 20 0 FGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000028940301 493809497 /nfs/dbraw/zinc/80/94/97/493809497.db2.gz NILMBHXTDJTXDQ-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000070825632 494060267 /nfs/dbraw/zinc/06/02/67/494060267.db2.gz RDCNZXVVPSCMJD-UHFFFAOYSA-N -2 0 351.327 3.266 20 0 FGADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(F)c(C(=O)[O-])c3)c2n1 ZINC000084920133 494104407 /nfs/dbraw/zinc/10/44/07/494104407.db2.gz ZVWVIXRTYUDLAS-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000072759823 494245568 /nfs/dbraw/zinc/24/55/68/494245568.db2.gz NJBNRTVSJUBGON-UHFFFAOYSA-N -2 0 363.395 3.018 20 0 FGADRL CC(C)(C)Nc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccco2)cc1F ZINC000577335255 505707025 /nfs/dbraw/zinc/70/70/25/505707025.db2.gz UDROFZIBPGPIAH-UHFFFAOYSA-N -2 0 356.375 3.128 20 0 FGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000013278954 494284848 /nfs/dbraw/zinc/28/48/48/494284848.db2.gz YJNPJRDLZSGMPB-UHFFFAOYSA-N -2 0 359.375 3.186 20 0 FGADRL O=S(=O)(CCC1CC1)[N-]c1cc(Cl)cc(Br)c1[O-] ZINC000092276917 494580897 /nfs/dbraw/zinc/58/08/97/494580897.db2.gz VUWHYFRAAZDKQG-UHFFFAOYSA-N -2 0 354.653 3.350 20 0 FGADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC000131231589 495510256 /nfs/dbraw/zinc/51/02/56/495510256.db2.gz WCKNZGVEVRGOQZ-UHFFFAOYSA-N -2 0 371.846 3.082 20 0 FGADRL CC(C)(CCNC(=O)c1cc(Br)cc(Cl)c1[O-])C(=O)[O-] ZINC000574519016 505791382 /nfs/dbraw/zinc/79/13/82/505791382.db2.gz ZYHZITLJAWJNKG-UHFFFAOYSA-N -2 0 364.623 3.039 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)c(C)o1 ZINC000182824121 495717571 /nfs/dbraw/zinc/71/75/71/495717571.db2.gz CNJAZFORGKRPIF-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c(F)c1 ZINC000184656469 496481742 /nfs/dbraw/zinc/48/17/42/496481742.db2.gz SBNJWUXHBJNIQT-LBPRGKRZSA-N -2 0 351.399 3.198 20 0 FGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000181772919 496538030 /nfs/dbraw/zinc/53/80/30/496538030.db2.gz VVSMRVWZZZUJJU-JTQLQIEISA-N -2 0 355.362 3.344 20 0 FGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000181772174 496538095 /nfs/dbraw/zinc/53/80/95/496538095.db2.gz ILHYEOPGVXUTNB-JTQLQIEISA-N -2 0 355.362 3.344 20 0 FGADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1)C(=O)[O-] ZINC000184904130 496578936 /nfs/dbraw/zinc/57/89/36/496578936.db2.gz FUWMKSHXJPCPFN-LBPRGKRZSA-N -2 0 369.389 3.419 20 0 FGADRL C[C@@H](N=c1ccc(N2CCC(C(C)(C)C(=O)[O-])CC2)n[nH]1)c1ccccc1 ZINC000581133953 505917092 /nfs/dbraw/zinc/91/70/92/505917092.db2.gz IFZNAYAXPGZASU-OAHLLOKOSA-N -2 0 368.481 3.399 20 0 FGADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000272374481 497611658 /nfs/dbraw/zinc/61/16/58/497611658.db2.gz CMONWFYCDQDAQX-UHFFFAOYSA-N -2 0 373.381 3.278 20 0 FGADRL COc1cc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)ccc1C(=O)[O-] ZINC000569538915 505958532 /nfs/dbraw/zinc/95/85/32/505958532.db2.gz MVBXNCZTYAAGID-UHFFFAOYSA-N -2 0 372.402 3.051 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2OC)cc1C(=O)[O-] ZINC000575915292 506031883 /nfs/dbraw/zinc/03/18/83/506031883.db2.gz QVOJEWNCQGVTNE-UHFFFAOYSA-N -2 0 371.361 3.035 20 0 FGADRL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000324048675 498824560 /nfs/dbraw/zinc/82/45/60/498824560.db2.gz ACCSWXSKGWCZJJ-UHFFFAOYSA-N -2 0 355.799 3.238 20 0 FGADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000327353915 498856672 /nfs/dbraw/zinc/85/66/72/498856672.db2.gz FXUAOFDOFWQZER-UHFFFAOYSA-N -2 0 363.435 3.212 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c1F ZINC000410402636 499660528 /nfs/dbraw/zinc/66/05/28/499660528.db2.gz QFXRKSZQYJJZLM-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-] ZINC000421152621 499973735 /nfs/dbraw/zinc/97/37/35/499973735.db2.gz KXTGKVLQSDBXCP-CYBMUJFWSA-N -2 0 373.833 3.184 20 0 FGADRL Cc1c([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cccc1C(=O)[O-] ZINC000430976135 500316241 /nfs/dbraw/zinc/31/62/41/500316241.db2.gz FAUUMLMHGIKHES-UHFFFAOYSA-N -2 0 363.288 3.050 20 0 FGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(Cl)c(C)c1 ZINC000442228679 500573341 /nfs/dbraw/zinc/57/33/41/500573341.db2.gz JOVPYLKOQOINSU-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000433809095 500748162 /nfs/dbraw/zinc/74/81/62/500748162.db2.gz SJIWIEZBMVTORL-UHFFFAOYSA-N -2 0 353.396 3.090 20 0 FGADRL Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)n[nH]2)c1 ZINC000444422392 500845734 /nfs/dbraw/zinc/84/57/34/500845734.db2.gz XNYBYLGGRJJSFN-UHFFFAOYSA-N -2 0 371.418 3.193 20 0 FGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000436175135 501083951 /nfs/dbraw/zinc/08/39/51/501083951.db2.gz YOTMKZYHKQYYNS-UHFFFAOYSA-N -2 0 371.361 3.306 20 0 FGADRL CC1(C)Cc2ccc(C(=O)N=c3nc(-c4ccsc4)[n-]s3)c([O-])c2O1 ZINC000436792620 501212893 /nfs/dbraw/zinc/21/28/93/501212893.db2.gz OJVLKDMNBHUCIU-UHFFFAOYSA-N -2 0 373.459 3.360 20 0 FGADRL COc1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)c(Cl)cc1C(=O)[O-] ZINC000485300008 501781393 /nfs/dbraw/zinc/78/13/93/501781393.db2.gz SRCXLYCBLJIRIB-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000474387490 501818050 /nfs/dbraw/zinc/81/80/50/501818050.db2.gz BJNJZZGWDSFNNH-UHFFFAOYSA-N -2 0 371.361 3.138 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000467754978 501860923 /nfs/dbraw/zinc/86/09/23/501860923.db2.gz QNAYGVJEZMZYIQ-UHFFFAOYSA-N -2 0 363.313 3.192 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000467760048 501863820 /nfs/dbraw/zinc/86/38/20/501863820.db2.gz RDUJLOIKNSDPAR-UHFFFAOYSA-N -2 0 363.395 3.018 20 0 FGADRL CCc1ncc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)s1 ZINC000460754316 501912900 /nfs/dbraw/zinc/91/29/00/501912900.db2.gz DHPHPSTVAKBXRP-SNVBAGLBSA-N -2 0 354.453 3.085 20 0 FGADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481957108 501928467 /nfs/dbraw/zinc/92/84/67/501928467.db2.gz JVYXLTBTRWPXKL-UHFFFAOYSA-N -2 0 371.867 3.490 20 0 FGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000481980140 501934271 /nfs/dbraw/zinc/93/42/71/501934271.db2.gz LXATWBDLZKDLGQ-UHFFFAOYSA-N -2 0 363.363 3.157 20 0 FGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000468878573 502215962 /nfs/dbraw/zinc/21/59/62/502215962.db2.gz HTKWYCJBFGDMKE-UHFFFAOYSA-N -2 0 373.789 3.377 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000462070279 502293840 /nfs/dbraw/zinc/29/38/40/502293840.db2.gz JQCMQXKBQNFOCI-UHFFFAOYSA-N -2 0 374.374 3.274 20 0 FGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000476406782 502481373 /nfs/dbraw/zinc/48/13/73/502481373.db2.gz FBQDUYPFDCHZJX-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000509660725 502960164 /nfs/dbraw/zinc/96/01/64/502960164.db2.gz FBCCGSYSYSYSNL-UHFFFAOYSA-N -2 0 357.334 3.095 20 0 FGADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1)C(=O)[O-] ZINC000504658271 503601624 /nfs/dbraw/zinc/60/16/24/503601624.db2.gz QWYSSOUVVDRHMG-SNVBAGLBSA-N -2 0 355.412 3.192 20 0 FGADRL CCOCc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512731681 503622561 /nfs/dbraw/zinc/62/25/61/503622561.db2.gz ZXOWXRKUZAGQGS-UHFFFAOYSA-N -2 0 367.398 3.170 20 0 FGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1 ZINC000512790235 503631810 /nfs/dbraw/zinc/63/18/10/503631810.db2.gz JCGUDRKATHDMJR-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)c2O1 ZINC000530542141 504003538 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PCRLYXHWJSTERA-UHFFFAOYSA-N -2 0 364.423 3.159 20 0 FGADRL CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736969442 600241712 /nfs/dbraw/zinc/24/17/12/600241712.db2.gz GNCPTFWXKOGWCT-GFCCVEGCSA-N -2 0 373.496 3.248 20 0 FGADRL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000522365204 600613400 /nfs/dbraw/zinc/61/34/00/600613400.db2.gz PEEBEBNAUZLSEP-UHFFFAOYSA-N -2 0 355.437 3.424 20 0 FGADRL CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)ccc2n1 ZINC000827186553 600682832 /nfs/dbraw/zinc/68/28/32/600682832.db2.gz QKMINOASKQSBEQ-UHFFFAOYSA-N -2 0 365.436 3.178 20 0 FGADRL CCCn1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nc2ccccc21 ZINC000829580005 600979272 /nfs/dbraw/zinc/97/92/72/600979272.db2.gz OYOHKAKZVDUULZ-UHFFFAOYSA-N -2 0 365.436 3.007 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1C(=O)[O-] ZINC000833030395 601231723 /nfs/dbraw/zinc/23/17/23/601231723.db2.gz UULDOLBEBXFFIK-UHFFFAOYSA-N -2 0 363.363 3.402 20 0 FGADRL 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O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000799129222 723989867 /nfs/dbraw/zinc/98/98/67/723989867.db2.gz NLVPBXFJZZIMBR-UHFFFAOYSA-N -2 0 353.346 3.341 20 0 FGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000799129351 723989964 /nfs/dbraw/zinc/98/99/64/723989964.db2.gz MLCQEDYULGGFQG-UHFFFAOYSA-N -2 0 371.336 3.480 20 0 FGADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC000775679312 724023159 /nfs/dbraw/zinc/02/31/59/724023159.db2.gz WLEXCSSJDARGRZ-SECBINFHSA-N -2 0 371.846 3.315 20 0 FGADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c2O1 ZINC000788762570 725086582 /nfs/dbraw/zinc/08/65/82/725086582.db2.gz UACHZTCWXFTSQS-UHFFFAOYSA-N -2 0 365.382 3.038 20 0 FGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2csnc2-c2ccccc2)c1 ZINC000821116713 729059699 /nfs/dbraw/zinc/05/96/99/729059699.db2.gz WGISDBSFFODVQE-UHFFFAOYSA-N -2 0 360.416 3.309 20 0 FGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000060367191 493926976 /nfs/dbraw/zinc/92/69/76/493926976.db2.gz HILNIKJQGXDMPB-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000057116008 494644832 /nfs/dbraw/zinc/64/48/32/494644832.db2.gz FOYFGFDURDLGPO-UHFFFAOYSA-N -2 0 369.826 3.085 20 0 FGADRL COCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000067874397 494674077 /nfs/dbraw/zinc/67/40/77/494674077.db2.gz DFTUDJPSYKVUPG-UHFFFAOYSA-N -2 0 369.826 3.028 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C)sc1C(=O)[O-] ZINC000137777407 495451234 /nfs/dbraw/zinc/45/12/34/495451234.db2.gz GYUCJXZOGRJAMZ-UHFFFAOYSA-N -2 0 371.484 3.107 20 0 FGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000184653154 496480794 /nfs/dbraw/zinc/48/07/94/496480794.db2.gz TUAZUCYECAYCSH-JTQLQIEISA-N -2 0 355.362 3.029 20 0 FGADRL CCCOc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c(C)c1 ZINC000265842119 497192252 /nfs/dbraw/zinc/19/22/52/497192252.db2.gz SGUAYLFZOOUPBG-UHFFFAOYSA-N -2 0 368.393 3.094 20 0 FGADRL O=C([O-])c1ccc(NS(=O)(=O)C[C@H]2CCCCC2(F)F)c(F)c1 ZINC000296941282 498259743 /nfs/dbraw/zinc/25/97/43/498259743.db2.gz MGLPUTGUHJGJGR-SNVBAGLBSA-N -2 0 351.346 3.091 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000392172229 499558277 /nfs/dbraw/zinc/55/82/77/499558277.db2.gz LWQKJHKDJNIUMW-UHFFFAOYSA-N -2 0 353.396 3.183 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC000396418060 499563195 /nfs/dbraw/zinc/56/31/95/499563195.db2.gz CLGNPWYPSAYVDZ-UHFFFAOYSA-N -2 0 356.403 3.296 20 0 FGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1 ZINC000430976837 500317035 /nfs/dbraw/zinc/31/70/35/500317035.db2.gz UBQWUBAHYXWGAY-UHFFFAOYSA-N -2 0 370.430 3.398 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000430993500 500319276 /nfs/dbraw/zinc/31/92/76/500319276.db2.gz YHKSWNZIWYZGNW-UHFFFAOYSA-N -2 0 373.427 3.402 20 0 FGADRL CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1Cl ZINC000436998300 500589878 /nfs/dbraw/zinc/58/98/78/500589878.db2.gz YLRMVCODGNLGSL-UHFFFAOYSA-N -2 0 373.839 3.267 20 0 FGADRL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2O1 ZINC000442840885 500633599 /nfs/dbraw/zinc/63/35/99/500633599.db2.gz MMJIDESQJJSAGW-OAHLLOKOSA-N -2 0 369.420 3.145 20 0 FGADRL COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)c(Cl)cc1C(=O)[O-] ZINC000485269361 501774053 /nfs/dbraw/zinc/77/40/53/501774053.db2.gz DKIWSHZCUDFUSZ-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL COc1cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c(Cl)cc1C(=O)[O-] ZINC000485274620 501774411 /nfs/dbraw/zinc/77/44/11/501774411.db2.gz MAGPGWZNCYSEMI-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL Cc1ccc(-n2[n-]c(C(=O)Nc3cc(F)cc(Cl)c3[O-])cc2=O)cc1 ZINC000474442666 501838676 /nfs/dbraw/zinc/83/86/76/501838676.db2.gz ZCMLKLPRXQDQCH-UHFFFAOYSA-N -2 0 361.760 3.224 20 0 FGADRL CCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc21 ZINC000467746207 501858310 /nfs/dbraw/zinc/85/83/10/501858310.db2.gz HTTLSBODHFOBRN-UHFFFAOYSA-N -2 0 362.407 3.452 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc([C@H](C)CC)nc1 ZINC000478681699 502056418 /nfs/dbraw/zinc/05/64/18/502056418.db2.gz YQQWZTRKAIGMNZ-LLVKDONJSA-N -2 0 363.439 3.052 20 0 FGADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C)cc1C ZINC000478723041 502068112 /nfs/dbraw/zinc/06/81/12/502068112.db2.gz ODWVRBUQCGCJKJ-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000487288726 502408902 /nfs/dbraw/zinc/40/89/02/502408902.db2.gz TVLNZUKQQHQLND-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1 ZINC000487405020 502435637 /nfs/dbraw/zinc/43/56/37/502435637.db2.gz LVRKLQBTYKCHRI-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1C ZINC000480191014 502495582 /nfs/dbraw/zinc/49/55/82/502495582.db2.gz BQMNIWDTZAXUGT-NSHDSACASA-N -2 0 365.455 3.278 20 0 FGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)c1 ZINC000480229570 502508010 /nfs/dbraw/zinc/50/80/10/502508010.db2.gz PTUDBPXEXKNGRF-UHFFFAOYSA-N -2 0 365.382 3.114 20 0 FGADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cnn1C(CC)CC ZINC000480242228 502511359 /nfs/dbraw/zinc/51/13/59/502511359.db2.gz AHSKRUKAWXOIKM-UHFFFAOYSA-N -2 0 365.455 3.306 20 0 FGADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c2ncccc21 ZINC000484790552 502741210 /nfs/dbraw/zinc/74/12/10/502741210.db2.gz APHZBKMOMMLAEL-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000484971984 502789456 /nfs/dbraw/zinc/78/94/56/502789456.db2.gz BYORGTMRGJSLRS-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000484977436 502791437 /nfs/dbraw/zinc/79/14/37/502791437.db2.gz SHDFVPKUUDRIMV-UHFFFAOYSA-N -2 0 371.361 3.251 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000509389201 502890527 /nfs/dbraw/zinc/89/05/27/502890527.db2.gz SMWYTAQMHCUHEU-UHFFFAOYSA-N -2 0 374.340 3.216 20 0 FGADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000509389120 502890860 /nfs/dbraw/zinc/89/08/60/502890860.db2.gz CXFKTJHEOLWGJR-UHFFFAOYSA-N -2 0 358.441 3.095 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000513457138 502943610 /nfs/dbraw/zinc/94/36/10/502943610.db2.gz HUFKZVYTAVHTKE-UHFFFAOYSA-N -2 0 371.361 3.171 20 0 FGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n[nH]1 ZINC000507880505 503386506 /nfs/dbraw/zinc/38/65/06/503386506.db2.gz XQFHGETXAHGCGF-UHFFFAOYSA-N -2 0 371.418 3.193 20 0 FGADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512756975 503626299 /nfs/dbraw/zinc/62/62/99/503626299.db2.gz BCXRCJBDLOUCTB-UHFFFAOYSA-N -2 0 367.398 3.340 20 0 FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c(C(=O)[O-])c1 ZINC000509071341 503635202 /nfs/dbraw/zinc/63/52/02/503635202.db2.gz YAZXIJZGKURHOD-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c(C(=O)[O-])c1 ZINC000512832019 503642136 /nfs/dbraw/zinc/64/21/36/503642136.db2.gz IEOAJTBZCKNKLV-UHFFFAOYSA-N -2 0 373.434 3.359 20 0 FGADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cncc4ccccc43)c1)CCC2 ZINC000536655336 503661924 /nfs/dbraw/zinc/66/19/24/503661924.db2.gz MSOOZJMMNNQBCI-UHFFFAOYSA-N -2 0 368.414 3.223 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(C)c1OCC(=O)[O-] ZINC000548150248 504348062 /nfs/dbraw/zinc/34/80/62/504348062.db2.gz SZLYGMFNWGCAEZ-UHFFFAOYSA-N -2 0 374.418 3.049 20 0 FGADRL COc1cc(C)c([N-]S(=O)(=O)c2cc3ccccc3o2)c(C(=O)[O-])c1 ZINC000548264616 504377831 /nfs/dbraw/zinc/37/78/31/504377831.db2.gz NZMHQTYMVRWQCN-UHFFFAOYSA-N -2 0 361.375 3.249 20 0 FGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C1CC1 ZINC000536495678 504748560 /nfs/dbraw/zinc/74/85/60/504748560.db2.gz CUFNJCLHKOEJEV-VIFPVBQESA-N -2 0 369.468 3.292 20 0 FGADRL Cc1cc(Cl)c([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)c(C(=O)[O-])c1 ZINC000562645075 504892460 /nfs/dbraw/zinc/89/24/60/504892460.db2.gz XYSGMPIAIVFABL-UHFFFAOYSA-N -2 0 371.846 3.004 20 0 FGADRL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000564063386 505315635 /nfs/dbraw/zinc/31/56/35/505315635.db2.gz KWDZGBVOYSIUFH-UHFFFAOYSA-N -2 0 360.844 3.419 20 0 FGADRL Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)s2)c1 ZINC000630566877 522937487 /nfs/dbraw/zinc/93/74/87/522937487.db2.gz FCSBZOQZFKRAEW-OCCSQVGLSA-N -2 0 374.466 3.396 20 0 FGADRL C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC(C)(C)C1 ZINC000736755772 599728183 /nfs/dbraw/zinc/72/81/83/599728183.db2.gz PNOZEWPOLDCSOY-QWRGUYRKSA-N -2 0 373.496 3.104 20 0 FGADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000738477083 599853891 /nfs/dbraw/zinc/85/38/91/599853891.db2.gz JMCYKADSONVWFA-UHFFFAOYSA-N -2 0 370.430 3.361 20 0 FGADRL C[C@@](CC(=O)[O-])(C(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC000736551592 599858689 /nfs/dbraw/zinc/85/86/89/599858689.db2.gz XJBMYFIETGMIPX-IBGZPJMESA-N -2 0 363.410 3.150 20 0 FGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000738277201 599966398 /nfs/dbraw/zinc/96/63/98/599966398.db2.gz RAMHKVDWAAFFOT-GFCCVEGCSA-N -2 0 365.455 3.298 20 0 FGADRL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cc(F)ccc1F ZINC000739501437 599970526 /nfs/dbraw/zinc/97/05/26/599970526.db2.gz IFJGGIBGAMXTGF-ZDUSSCGKSA-N -2 0 359.250 3.138 20 0 FGADRL CC(C)(C)c1csc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000736299121 600053170 /nfs/dbraw/zinc/05/31/70/600053170.db2.gz IPSQXYOPPXLFMR-UHFFFAOYSA-N -2 0 358.416 3.079 20 0 FGADRL Cc1cccc2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)nc21 ZINC000738750001 600054266 /nfs/dbraw/zinc/05/42/66/600054266.db2.gz NGKBHKFCDQGGAI-UHFFFAOYSA-N -2 0 354.434 3.165 20 0 FGADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000740034150 600056610 /nfs/dbraw/zinc/05/66/10/600056610.db2.gz SAZHLYOPVPANFH-UHFFFAOYSA-N -2 0 370.386 3.048 20 0 FGADRL O=C([O-])C[C@@H](NC(=O)c1cccc(Br)c1[O-])c1cccs1 ZINC000739627911 600100811 /nfs/dbraw/zinc/10/08/11/600100811.db2.gz MTASCMUFJRYMHS-SNVBAGLBSA-N -2 0 370.224 3.162 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCCC2)s1 ZINC000738655332 600103742 /nfs/dbraw/zinc/10/37/42/600103742.db2.gz QWZADGXHDFOYGR-UHFFFAOYSA-N -2 0 366.464 3.156 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1 ZINC000740270787 600104168 /nfs/dbraw/zinc/10/41/68/600104168.db2.gz DAZJPOSDMUGWCJ-UHFFFAOYSA-N -2 0 360.416 3.309 20 0 FGADRL CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737376272 600105014 /nfs/dbraw/zinc/10/50/14/600105014.db2.gz RLYNMDHNSVQANN-UHFFFAOYSA-N -2 0 372.805 3.044 20 0 FGADRL O=C([O-])Nc1cc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)ccc1F ZINC000740006159 600155460 /nfs/dbraw/zinc/15/54/60/600155460.db2.gz PENVWAPELOEPRY-UHFFFAOYSA-N -2 0 372.352 3.114 20 0 FGADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)c1C(=O)[O-] ZINC000738828552 600229317 /nfs/dbraw/zinc/22/93/17/600229317.db2.gz ZYVKKZUSACFDSS-UHFFFAOYSA-N -2 0 373.390 3.009 20 0 FGADRL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738604113 600229387 /nfs/dbraw/zinc/22/93/87/600229387.db2.gz CJHCSOLLOGIJFP-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000738210840 600230393 /nfs/dbraw/zinc/23/03/93/600230393.db2.gz BGWNDHOVCKGZBQ-UHFFFAOYSA-N -2 0 359.375 3.186 20 0 FGADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000740290879 600695121 /nfs/dbraw/zinc/69/51/21/600695121.db2.gz WHIOSRREPPMYQS-UHFFFAOYSA-N -2 0 371.411 3.175 20 0 FGADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cn1 ZINC000736532162 600889296 /nfs/dbraw/zinc/88/92/96/600889296.db2.gz AOBZWFIYSLXVNE-UHFFFAOYSA-N -2 0 359.407 3.116 20 0 FGADRL CCc1cccc(CC)c1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000830265608 601204763 /nfs/dbraw/zinc/20/47/63/601204763.db2.gz GJQBPZZYUWRFPA-UHFFFAOYSA-N -2 0 369.464 3.381 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C(=O)[O-] ZINC000833030136 601229693 /nfs/dbraw/zinc/22/96/93/601229693.db2.gz RYQMOZMUMCFPFJ-UHFFFAOYSA-N -2 0 364.423 3.077 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1C(=O)[O-] ZINC000833030012 601233270 /nfs/dbraw/zinc/23/32/70/601233270.db2.gz QAMMOJILLHCMKO-UHFFFAOYSA-N -2 0 353.396 3.012 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1C(=O)[O-] ZINC000832922583 601235209 /nfs/dbraw/zinc/23/52/09/601235209.db2.gz ACOBDLUHZCLIBU-UHFFFAOYSA-N -2 0 363.313 3.414 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000314550670 601357206 /nfs/dbraw/zinc/35/72/06/601357206.db2.gz YVPPDUYMTHNPQJ-UHFFFAOYSA-N -2 0 351.327 3.266 20 0 FGADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(CNC(=O)[O-])cc3)c2n1 ZINC000832962169 601558151 /nfs/dbraw/zinc/55/81/51/601558151.db2.gz SMEFWUYAWFDLEO-UHFFFAOYSA-N -2 0 371.418 3.112 20 0 FGADRL CCCCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC000829304394 601598988 /nfs/dbraw/zinc/59/89/88/601598988.db2.gz FAKHDCTUVNLKSC-INIZCTEOSA-N -2 0 369.483 3.183 20 0 FGADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832780849 601839006 /nfs/dbraw/zinc/83/90/06/601839006.db2.gz IWKFPZRGVAQMPC-UHFFFAOYSA-N -2 0 364.857 3.017 20 0 FGADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000826764524 601847517 /nfs/dbraw/zinc/84/75/17/601847517.db2.gz ULZPSVZCHFHEEC-NSHDSACASA-N -2 0 369.418 3.128 20 0 FGADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000829373213 601847837 /nfs/dbraw/zinc/84/78/37/601847837.db2.gz LWCOGSOCHKEKOI-UHFFFAOYSA-N -2 0 369.418 3.020 20 0 FGADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n[nH]1 ZINC000829216818 602102543 /nfs/dbraw/zinc/10/25/43/602102543.db2.gz SROJARNZAIFZQB-JTQLQIEISA-N -2 0 351.428 3.121 20 0 FGADRL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3cc(F)ccc3Cl)ccc21 ZINC000740530447 602296524 /nfs/dbraw/zinc/29/65/24/602296524.db2.gz XFVIDMFGYIJUDV-UHFFFAOYSA-N -2 0 370.789 3.320 20 0 FGADRL CN(CC1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1)C(=O)[O-] ZINC000739657097 602458681 /nfs/dbraw/zinc/45/86/81/602458681.db2.gz ORRKSLYXSFTEJZ-UHFFFAOYSA-N -2 0 361.225 3.161 20 0 FGADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000740717184 602653998 /nfs/dbraw/zinc/65/39/98/602653998.db2.gz TYOBSCXKRNESPA-UHFFFAOYSA-N -2 0 371.212 3.340 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN(C)C(=O)[O-])c(F)c1 ZINC000740150821 602654739 /nfs/dbraw/zinc/65/47/39/602654739.db2.gz LCSOWRCAKQJTNP-UHFFFAOYSA-N -2 0 352.387 3.045 20 0 FGADRL CN(Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1)C(=O)[O-] ZINC000739711945 602655029 /nfs/dbraw/zinc/65/50/29/602655029.db2.gz JIOPOGDIXXINGK-UHFFFAOYSA-N -2 0 372.805 3.390 20 0 FGADRL C[C@H](NC(=O)[O-])c1ccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000825378252 604283154 /nfs/dbraw/zinc/28/31/54/604283154.db2.gz UKNWVVAMEPWJMT-ZDUSSCGKSA-N -2 0 362.426 3.057 20 0 FGADRL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833560846 604616126 /nfs/dbraw/zinc/61/61/26/604616126.db2.gz KLSYRNINCVEQSC-JTQLQIEISA-N -2 0 373.858 3.060 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)cc1F ZINC000833744837 604759919 /nfs/dbraw/zinc/75/99/19/604759919.db2.gz RKHWSBBDIHCKBL-UHFFFAOYSA-N -2 0 374.390 3.106 20 0 FGADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)on1 ZINC000833450729 604989321 /nfs/dbraw/zinc/98/93/21/604989321.db2.gz XSMMULNNPUHKOA-UHFFFAOYSA-N -2 0 358.803 3.125 20 0 FGADRL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000833511251 604989542 /nfs/dbraw/zinc/98/95/42/604989542.db2.gz HWRWJACXRFEBCF-UHFFFAOYSA-N -2 0 360.844 3.419 20 0 FGADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)c1 ZINC000833636556 605125608 /nfs/dbraw/zinc/12/56/08/605125608.db2.gz WCADRKIQSPUPCA-UHFFFAOYSA-N -2 0 353.421 3.148 20 0 FGADRL O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1[O-] ZINC000834250794 605928163 /nfs/dbraw/zinc/92/81/63/605928163.db2.gz GUXMMLASNVTRPD-HNNXBMFYSA-N -2 0 373.796 3.344 20 0 FGADRL O=C([O-])Nc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)c(Cl)c1 ZINC000834258581 606050558 /nfs/dbraw/zinc/05/05/58/606050558.db2.gz YQDYWHRNGFNZEM-SFHVURJKSA-N -2 0 374.780 3.086 20 0 FGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1O ZINC000037376284 695754511 /nfs/dbraw/zinc/75/45/11/695754511.db2.gz GCDYREXJCSLDSN-UHFFFAOYSA-N -2 0 368.219 3.260 20 0 FGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000169875170 705352244 /nfs/dbraw/zinc/35/22/44/705352244.db2.gz NTJFHLFRSQRAHD-UHFFFAOYSA-N -2 0 353.371 3.114 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cnc1Cl ZINC000184651580 712674332 /nfs/dbraw/zinc/67/43/32/712674332.db2.gz RQOKRVOSDBTDEA-NSHDSACASA-N -2 0 368.842 3.107 20 0 FGADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000187730726 712752705 /nfs/dbraw/zinc/75/27/05/712752705.db2.gz BHXWFCLROUSFNI-VIFPVBQESA-N -2 0 369.830 3.007 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c(Cl)n1 ZINC000193337431 712887651 /nfs/dbraw/zinc/88/76/51/712887651.db2.gz OOLFFINHAXEKSX-UHFFFAOYSA-N -2 0 368.842 3.252 20 0 FGADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1O ZINC000674755484 721709592 /nfs/dbraw/zinc/70/95/92/721709592.db2.gz ZNCKKNHYUMYHSC-UHFFFAOYSA-N -2 0 361.419 3.078 20 0 FGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000737757278 722527302 /nfs/dbraw/zinc/52/73/02/722527302.db2.gz WYACSYMBRPBONA-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749140601 722717545 /nfs/dbraw/zinc/71/75/45/722717545.db2.gz BKWUCDGZRSZBCV-UHFFFAOYSA-N -2 0 355.412 3.355 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c(C)c1 ZINC000753780052 722912874 /nfs/dbraw/zinc/91/28/74/722912874.db2.gz ZGWZFLRMKYGNFO-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000753964597 722920639 /nfs/dbraw/zinc/92/06/39/722920639.db2.gz YEHQJFYVMMUEPV-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000758951761 722997301 /nfs/dbraw/zinc/99/73/01/722997301.db2.gz VGTXWSRMTIZJLG-UHFFFAOYSA-N -2 0 355.412 3.188 20 0 FGADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759114991 722999766 /nfs/dbraw/zinc/99/97/66/722999766.db2.gz ZPGWVLMJKYNZDU-UHFFFAOYSA-N -2 0 358.803 3.006 20 0 FGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1C ZINC000790418614 723138055 /nfs/dbraw/zinc/13/80/55/723138055.db2.gz XPHFTUZMQANRES-SNVBAGLBSA-N -2 0 369.418 3.109 20 0 FGADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793350249 723427599 /nfs/dbraw/zinc/42/75/99/723427599.db2.gz KCHBNJLVHXPEMP-UHFFFAOYSA-N -2 0 353.371 3.032 20 0 FGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC000793367823 723431768 /nfs/dbraw/zinc/43/17/68/723431768.db2.gz AFHTZPFUXOPDGX-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)nc1Cl ZINC000800831451 724233382 /nfs/dbraw/zinc/23/33/82/724233382.db2.gz FWHBICQSRLHTNN-UHFFFAOYSA-N -2 0 372.855 3.264 20 0 FGADRL O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)CCS2 ZINC000908178217 744268752 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Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c(F)cc1F ZINC000184653007 496480352 /nfs/dbraw/zinc/48/03/52/496480352.db2.gz ZLFKJGOXYIWQCA-NSHDSACASA-N -2 0 369.389 3.337 20 0 FGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000181772196 496537860 /nfs/dbraw/zinc/53/78/60/496537860.db2.gz ILHYEOPGVXUTNB-SNVBAGLBSA-N -2 0 355.362 3.344 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1-c1ncco1 ZINC000164729795 496629837 /nfs/dbraw/zinc/62/98/37/496629837.db2.gz PRKMZGSEOYZAJU-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000578189767 505882777 /nfs/dbraw/zinc/88/27/77/505882777.db2.gz YDFLURXDCZMMRG-UHFFFAOYSA-N -2 0 374.340 3.216 20 0 FGADRL O=C([O-])[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000274966117 497207525 /nfs/dbraw/zinc/20/75/25/497207525.db2.gz BWNRXIZRJVBPSK-DLBZAZTESA-N -2 0 368.389 3.052 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ncsc2C(C)C)c1C ZINC000569285005 505896918 /nfs/dbraw/zinc/89/69/18/505896918.db2.gz YUEFAHOCYZBTLD-UHFFFAOYSA-N -2 0 354.453 3.382 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)sc1C ZINC000271348535 497326471 /nfs/dbraw/zinc/32/64/71/497326471.db2.gz FWCFLJMDIKAKQI-UHFFFAOYSA-N -2 0 367.448 3.213 20 0 FGADRL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000372286330 499416650 /nfs/dbraw/zinc/41/66/50/499416650.db2.gz AGVREVZNMRIVBS-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)c(Cl)c1 ZINC000383785304 499546992 /nfs/dbraw/zinc/54/69/92/499546992.db2.gz YGSMTXBNFHYTPK-UHFFFAOYSA-N -2 0 367.810 3.164 20 0 FGADRL CCCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000392012289 499557821 /nfs/dbraw/zinc/55/78/21/499557821.db2.gz FYFAAQOMHSYROU-UHFFFAOYSA-N -2 0 353.371 3.114 20 0 FGADRL CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000410401997 499660440 /nfs/dbraw/zinc/66/04/40/499660440.db2.gz OIDQQMSXXSBQEB-UHFFFAOYSA-N -2 0 364.423 3.102 20 0 FGADRL O=C([O-])CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000582304278 506182228 /nfs/dbraw/zinc/18/22/28/506182228.db2.gz HMOWATMCKZQDNQ-GXFFZTMASA-N -2 0 363.838 3.181 20 0 FGADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1 ZINC000433504206 500705760 /nfs/dbraw/zinc/70/57/60/500705760.db2.gz ZBPBDOIOBUTXRU-UHFFFAOYSA-N -2 0 369.826 3.415 20 0 FGADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000434628855 500869647 /nfs/dbraw/zinc/86/96/47/500869647.db2.gz FDXFWENEVUQUFQ-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000446650267 501148124 /nfs/dbraw/zinc/14/81/24/501148124.db2.gz YMTJISWDXIJOEY-UHFFFAOYSA-N -2 0 372.468 3.403 20 0 FGADRL COc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)c(Cl)cc1C(=O)[O-] ZINC000485299565 501781310 /nfs/dbraw/zinc/78/13/10/501781310.db2.gz GOWKDNZXTVPDRP-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000467764162 501864664 /nfs/dbraw/zinc/86/46/64/501864664.db2.gz ZKPUIHDKOFRUKQ-JTQLQIEISA-N -2 0 353.396 3.264 20 0 FGADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471119118 501925948 /nfs/dbraw/zinc/92/59/48/501925948.db2.gz OSRZQVYSAKHYMI-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1C(=O)[O-] ZINC000471578723 502071583 /nfs/dbraw/zinc/07/15/83/502071583.db2.gz RFTHDPRKZFBFFW-UHFFFAOYSA-N -2 0 374.418 3.076 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000479195409 502189804 /nfs/dbraw/zinc/18/98/04/502189804.db2.gz QBTYKGVYTDHJFQ-UHFFFAOYSA-N -2 0 363.288 3.344 20 0 FGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1C(=O)[O-] ZINC000471995519 502194274 /nfs/dbraw/zinc/19/42/74/502194274.db2.gz MSYYOAKHYARXFY-UHFFFAOYSA-N -2 0 373.789 3.301 20 0 FGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000476273406 502439259 /nfs/dbraw/zinc/43/92/59/502439259.db2.gz GYGBSLUQXBKYRE-UHFFFAOYSA-N -2 0 355.412 3.355 20 0 FGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n[nH]1 ZINC000466277653 502523522 /nfs/dbraw/zinc/52/35/22/502523522.db2.gz AQFMPNWKCURKIJ-UHFFFAOYSA-N -2 0 371.418 3.193 20 0 FGADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000484802999 502742802 /nfs/dbraw/zinc/74/28/02/502742802.db2.gz DMYQWGIEPXWKRG-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000513457300 502944823 /nfs/dbraw/zinc/94/48/23/502944823.db2.gz IRVJWYNOZDKFBP-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL CCCCOc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000511277091 503291935 /nfs/dbraw/zinc/29/19/35/503291935.db2.gz PHULAMRFEDXUKO-UHFFFAOYSA-N -2 0 355.437 3.426 20 0 FGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000508009609 503412865 /nfs/dbraw/zinc/41/28/65/503412865.db2.gz HPOCDQAWIRUCDS-UHFFFAOYSA-N -2 0 371.361 3.404 20 0 FGADRL CCCOc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512757927 503626259 /nfs/dbraw/zinc/62/62/59/503626259.db2.gz UCRDWOJBDMBCON-UHFFFAOYSA-N -2 0 367.398 3.422 20 0 FGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000512767123 503628339 /nfs/dbraw/zinc/62/83/39/503628339.db2.gz OKXWQSQJSUUBKT-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)s1 ZINC000533624120 503904659 /nfs/dbraw/zinc/90/46/59/503904659.db2.gz DAFZBRVZCXQGQN-UHFFFAOYSA-N -2 0 367.235 3.257 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000537604390 503970437 /nfs/dbraw/zinc/97/04/37/503970437.db2.gz ULFIHKBUMOHWHE-UHFFFAOYSA-N -2 0 363.416 3.414 20 0 FGADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000547871267 504256080 /nfs/dbraw/zinc/25/60/80/504256080.db2.gz OYPGTXSQDWJSSY-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3F)ccc12 ZINC000547878472 504256150 /nfs/dbraw/zinc/25/61/50/504256150.db2.gz MRUKLUJDNLYOMQ-UHFFFAOYSA-N -2 0 370.308 3.084 20 0 FGADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000542231774 504415013 /nfs/dbraw/zinc/41/50/13/504415013.db2.gz FNUKGBNAMRRVTL-UHFFFAOYSA-N -2 0 369.468 3.257 20 0 FGADRL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000545366751 504461893 /nfs/dbraw/zinc/46/18/93/504461893.db2.gz PBNZOJXHNNCOJC-UHFFFAOYSA-N -2 0 357.478 3.419 20 0 FGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C1CC1 ZINC000535684923 504507202 /nfs/dbraw/zinc/50/72/02/504507202.db2.gz DEFPJMRDXWXRPB-SECBINFHSA-N -2 0 369.468 3.292 20 0 FGADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c2ccccc2n1C ZINC000556347565 504851007 /nfs/dbraw/zinc/85/10/07/504851007.db2.gz YGJSUFYZQUYGDE-UHFFFAOYSA-N -2 0 358.419 3.294 20 0 FGADRL Cc1c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cccc1C(=O)[O-] ZINC000551109900 505159636 /nfs/dbraw/zinc/15/96/36/505159636.db2.gz OCLKZKLNKYQQGT-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3C)c2n1 ZINC000589438894 506549533 /nfs/dbraw/zinc/54/95/33/506549533.db2.gz GMGGTNSVDGVJMP-UHFFFAOYSA-N -2 0 374.393 3.490 20 0 FGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000604692601 506910071 /nfs/dbraw/zinc/91/00/71/506910071.db2.gz UZJCNQCTTWQLQL-UHFFFAOYSA-N -2 0 364.329 3.012 20 0 FGADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000607613562 507776715 /nfs/dbraw/zinc/77/67/15/507776715.db2.gz KYTBIBDYZYLAQH-UHFFFAOYSA-N -2 0 351.428 3.086 20 0 FGADRL CC(C)c1n[n-]c(=NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])s1 ZINC000478465379 515836743 /nfs/dbraw/zinc/83/67/43/515836743.db2.gz UWCAMQHEAJSGLA-UHFFFAOYSA-N -2 0 363.830 3.459 20 0 FGADRL Cc1cc(C)c(N=c2[n-]nc(SCc3nnn[n-]3)s2)c(Cl)c1 ZINC000497441253 516322513 /nfs/dbraw/zinc/32/25/13/516322513.db2.gz MUHCQDUCRLHMEG-UHFFFAOYSA-N -2 0 353.864 3.357 20 0 FGADRL O=C(N=c1[n-]nc(C2CC2)s1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000515026358 517176024 /nfs/dbraw/zinc/17/60/24/517176024.db2.gz HMTRJNJRNTXZSI-UHFFFAOYSA-N -2 0 361.814 3.213 20 0 FGADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000315161510 597313566 /nfs/dbraw/zinc/31/35/66/597313566.db2.gz FZCBUXVTTUNXCU-UHFFFAOYSA-N -2 0 360.218 3.421 20 0 FGADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000740290594 599925004 /nfs/dbraw/zinc/92/50/04/599925004.db2.gz UUXOILVRWSTHMU-UHFFFAOYSA-N -2 0 369.317 3.405 20 0 FGADRL Cc1nc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)sc1C(=O)[O-] ZINC000738251899 600054411 /nfs/dbraw/zinc/05/44/11/600054411.db2.gz PQDUHJFLJJXOKK-UHFFFAOYSA-N -2 0 370.452 3.046 20 0 FGADRL C[C@@](CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736548342 600155063 /nfs/dbraw/zinc/15/50/63/600155063.db2.gz KUDMAUIIVFIHPU-SFHVURJKSA-N -2 0 360.341 3.287 20 0 FGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c1C(=O)[O-] ZINC000738968801 600424198 /nfs/dbraw/zinc/42/41/98/600424198.db2.gz AKJYSURCNIBUGB-UHFFFAOYSA-N -2 0 372.402 3.457 20 0 FGADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736486481 600482071 /nfs/dbraw/zinc/48/20/71/600482071.db2.gz WCIAUJXNDRVTJC-UHFFFAOYSA-N -2 0 359.787 3.219 20 0 FGADRL O=C([O-])C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1cccc(Cl)c1 ZINC000833198888 600814235 /nfs/dbraw/zinc/81/42/35/600814235.db2.gz MKYHMXGXWIPZEV-GFCCVEGCSA-N -2 0 355.724 3.270 20 0 FGADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000736228637 600933476 /nfs/dbraw/zinc/93/34/76/600933476.db2.gz ZSAZDSPEGLYCTI-UHFFFAOYSA-N -2 0 350.374 3.143 20 0 FGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000832853056 600988346 /nfs/dbraw/zinc/98/83/46/600988346.db2.gz QUSDZZIGCFWZMV-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL CCCn1ccc2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc21 ZINC000829585095 601485167 /nfs/dbraw/zinc/48/51/67/601485167.db2.gz HEWDHFDGWVNOEC-UHFFFAOYSA-N -2 0 365.436 3.007 20 0 FGADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000827212988 601829013 /nfs/dbraw/zinc/82/90/13/601829013.db2.gz ITEXAIOSTASMAC-SECBINFHSA-N -2 0 369.830 3.007 20 0 FGADRL CSCc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000832770770 601841267 /nfs/dbraw/zinc/84/12/67/601841267.db2.gz FRMUBVAGHDKIPG-UHFFFAOYSA-N -2 0 372.855 3.097 20 0 FGADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000826905881 601859084 /nfs/dbraw/zinc/85/90/84/601859084.db2.gz XIPROOYORLKFTJ-UHFFFAOYSA-N -2 0 367.398 3.360 20 0 FGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000830050108 602309261 /nfs/dbraw/zinc/30/92/61/602309261.db2.gz XNYBCWWYUYGUIL-UHFFFAOYSA-N -2 0 355.799 3.238 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1C(=O)[O-] ZINC000832972972 602320736 /nfs/dbraw/zinc/32/07/36/602320736.db2.gz RYQSAJRKJIMHNI-UHFFFAOYSA-N -2 0 371.361 3.138 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1NC(=O)[O-] ZINC000739926096 602869551 /nfs/dbraw/zinc/86/95/51/602869551.db2.gz YTJPMZLKEWOVDW-UHFFFAOYSA-N -2 0 373.390 3.134 20 0 FGADRL C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC[C@H]1NC(=O)[O-] ZINC000826035086 603472215 /nfs/dbraw/zinc/47/22/15/603472215.db2.gz OROFMGKFFCGQBX-MEBBXXQBSA-N -2 0 362.813 3.317 20 0 FGADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c1C ZINC000832871965 604625198 /nfs/dbraw/zinc/62/51/98/604625198.db2.gz HAPXONRIFFGEKR-UHFFFAOYSA-N -2 0 368.480 3.195 20 0 FGADRL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC000833430911 604991154 /nfs/dbraw/zinc/99/11/54/604991154.db2.gz XGSMNQHYOSVTOH-UHFFFAOYSA-N -2 0 371.846 3.151 20 0 FGADRL O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1[O-] ZINC000834246684 605995785 /nfs/dbraw/zinc/99/57/85/605995785.db2.gz BKYMDXHPRUELOZ-UHFFFAOYSA-N -2 0 360.797 3.406 20 0 FGADRL O=C([O-])COc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000834067269 606070150 /nfs/dbraw/zinc/07/01/50/606070150.db2.gz ZHYDEDGONCZFEF-UHFFFAOYSA-N -2 0 364.741 3.146 20 0 FGADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000048382838 695876180 /nfs/dbraw/zinc/87/61/80/695876180.db2.gz XXGJDVXZAWOBMS-UHFFFAOYSA-N -2 0 355.799 3.238 20 0 FGADRL Cc1c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cccc1C(=O)[O-] ZINC000112530856 700560722 /nfs/dbraw/zinc/56/07/22/700560722.db2.gz YWJHJTTXAFUTRL-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000187727163 712752810 /nfs/dbraw/zinc/75/28/10/712752810.db2.gz GJYKPXVVDCTQPM-SECBINFHSA-N -2 0 369.830 3.007 20 0 FGADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000618761898 714774519 /nfs/dbraw/zinc/77/45/19/714774519.db2.gz UWZGEXDIOGPFRC-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000737337295 722526220 /nfs/dbraw/zinc/52/62/20/722526220.db2.gz XIJPZFDVCJDHJN-UHFFFAOYSA-N -2 0 358.778 3.394 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1F ZINC000749142991 722717742 /nfs/dbraw/zinc/71/77/42/722717742.db2.gz SLTCQWJQEBRSTE-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1 ZINC000753770201 722912276 /nfs/dbraw/zinc/91/22/76/722912276.db2.gz KIGLQMXAMMBVHC-UHFFFAOYSA-N -2 0 367.810 3.350 20 0 FGADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761951037 723200510 /nfs/dbraw/zinc/20/05/10/723200510.db2.gz USOHUSNPRVHZMR-UHFFFAOYSA-N -2 0 372.805 3.497 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc2n[nH]cc21 ZINC000766328784 723568772 /nfs/dbraw/zinc/56/87/72/723568772.db2.gz GAIZWCKXGVOMAU-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000795367421 723585747 /nfs/dbraw/zinc/58/57/47/723585747.db2.gz YFSQUNIHXKCHMK-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC000069535499 221326377 /nfs/dbraw/zinc/32/63/77/221326377.db2.gz VLQCWBJKCSCLLI-UHFFFAOYSA-N -2 0 357.387 3.353 20 0 FGADRL CCCn1ncc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C1CC1 ZINC000573792227 505622033 /nfs/dbraw/zinc/62/20/33/505622033.db2.gz ZMRSOZUBPDVTHG-UHFFFAOYSA-N -2 0 369.468 3.039 20 0 FGADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000126916640 494861429 /nfs/dbraw/zinc/86/14/29/494861429.db2.gz TYCAUQAFEIMJMD-UHFFFAOYSA-N -2 0 370.814 3.321 20 0 FGADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000574508996 505788520 /nfs/dbraw/zinc/78/85/20/505788520.db2.gz NLRZTVBMCFGYAH-UHFFFAOYSA-N -2 0 363.435 3.428 20 0 FGADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1C ZINC000156369606 496226344 /nfs/dbraw/zinc/22/63/44/496226344.db2.gz OGOYVPYYVQMXCI-UHFFFAOYSA-N -2 0 365.455 3.107 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000324977012 498832642 /nfs/dbraw/zinc/83/26/42/498832642.db2.gz RCJDMSKXMZJPNY-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL Cc1cc(C(=O)N(C)c2ccccc2C(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000573524383 506207491 /nfs/dbraw/zinc/20/74/91/506207491.db2.gz AUQQRKLRRXIPMH-UHFFFAOYSA-N -2 0 352.394 3.144 20 0 FGADRL CCSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433506826 500706222 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Cc1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1O ZINC000832970143 601604805 /nfs/dbraw/zinc/60/48/05/601604805.db2.gz CQLAMONMFMKUQW-UHFFFAOYSA-N -2 0 363.416 3.414 20 0 FGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cc3ccccc3o2)n1 ZINC000833229559 601771380 /nfs/dbraw/zinc/77/13/80/601771380.db2.gz IJEUQTNLMFNFTL-UHFFFAOYSA-N -2 0 366.420 3.097 20 0 FGADRL Cc1ccc(/C=C/S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1 ZINC000832930439 601771400 /nfs/dbraw/zinc/77/14/00/601771400.db2.gz XCXWQUHAMAYGEQ-MDZDMXLPSA-N -2 0 366.464 3.271 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c(F)cc1F ZINC000832904596 601831049 /nfs/dbraw/zinc/83/10/49/601831049.db2.gz USXJSMNUJWXVQT-UHFFFAOYSA-N -2 0 355.362 3.091 20 0 FGADRL CC(C)CCc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000826860919 601838675 /nfs/dbraw/zinc/83/86/75/601838675.db2.gz JTWGNHOXEWQREB-UHFFFAOYSA-N -2 0 354.453 3.231 20 0 FGADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000827054361 601861159 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C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000825449480 604002168 /nfs/dbraw/zinc/00/21/68/604002168.db2.gz RDPNTZZVSJGILV-LBPRGKRZSA-N -2 0 366.377 3.159 20 0 FGADRL COc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1NC(=O)[O-] ZINC000829484363 604011585 /nfs/dbraw/zinc/01/15/85/604011585.db2.gz RZWDWLOMOVRRQB-UHFFFAOYSA-N -2 0 362.363 3.332 20 0 FGADRL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000832079133 604015106 /nfs/dbraw/zinc/01/51/06/604015106.db2.gz FIZXZJSDWLMEKY-UHFFFAOYSA-N -2 0 369.402 3.076 20 0 FGADRL C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000825378307 604283281 /nfs/dbraw/zinc/28/32/81/604283281.db2.gz VVDRZVRVKSPMDH-CYBMUJFWSA-N -2 0 362.426 3.057 20 0 FGADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1 ZINC000833449448 604744821 /nfs/dbraw/zinc/74/48/21/604744821.db2.gz UTHXOKHYLNDPFC-UHFFFAOYSA-N -2 0 367.398 3.328 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)ccc1C(=O)[O-] ZINC000832904387 604800858 /nfs/dbraw/zinc/80/08/58/604800858.db2.gz KQJABAZWWPNPLY-UHFFFAOYSA-N -2 0 374.390 3.204 20 0 FGADRL CC1=C(C(=O)[O-])[C@H](c2coc3ccccc32)NC(=O)N1CCCCC(=O)[O-] ZINC000833576004 604874836 /nfs/dbraw/zinc/87/48/36/604874836.db2.gz GDTFKHAGVMAXHC-KRWDZBQOSA-N -2 0 372.377 3.113 20 0 FGADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833516260 604990993 /nfs/dbraw/zinc/99/09/93/604990993.db2.gz UEDZODLBELXQSR-VIFPVBQESA-N -2 0 369.830 3.007 20 0 FGADRL CCN(c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1)C(C)C ZINC000833655108 605183853 /nfs/dbraw/zinc/18/38/53/605183853.db2.gz YDXOFNWEPMAYOZ-UHFFFAOYSA-N -2 0 352.412 3.013 20 0 FGADRL Cc1sc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c(C(=O)[O-])c1C ZINC000833758000 605302900 /nfs/dbraw/zinc/30/29/00/605302900.db2.gz HEXHPPDOAORLMF-QMMMGPOBSA-N -2 0 367.448 3.187 20 0 FGADRL O=C([O-])NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000832589974 605555136 /nfs/dbraw/zinc/55/51/36/605555136.db2.gz NTAFPQDMDMUQLC-LBPRGKRZSA-N -2 0 374.824 3.442 20 0 FGADRL O=C([O-])N1CCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2[O-])CC1 ZINC000834287389 605992523 /nfs/dbraw/zinc/99/25/23/605992523.db2.gz KRBUKWSHRHMTMF-CQSZACIVSA-N -2 0 352.818 3.040 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)c1C ZINC000193495990 712893362 /nfs/dbraw/zinc/89/33/62/712893362.db2.gz KHTMYRBFYQEJJG-UHFFFAOYSA-N -2 0 354.815 3.159 20 0 FGADRL CCn1cc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1C(=O)[O-] ZINC000326863710 713820784 /nfs/dbraw/zinc/82/07/84/713820784.db2.gz VRYWWGXOWAWFNI-UHFFFAOYSA-N -2 0 366.439 3.042 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c(C(=O)[O-])c1 ZINC000620709093 714932989 /nfs/dbraw/zinc/93/29/89/714932989.db2.gz UUVLDUJRIVFUAM-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)ccc2s1 ZINC000781121077 724530390 /nfs/dbraw/zinc/53/03/90/724530390.db2.gz VIIKRLTUXLLZJM-UHFFFAOYSA-N -2 0 368.461 3.474 20 0 FGADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(C(F)F)nc3)c1)CCC2 ZINC000656634462 719430547 /nfs/dbraw/zinc/43/05/47/719430547.db2.gz ZLLWJXXZJKXIGE-UHFFFAOYSA-N -2 0 368.361 3.007 20 0 FGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000677123657 721860626 /nfs/dbraw/zinc/86/06/26/721860626.db2.gz AGNYVNBEQHROJX-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c(F)c1 ZINC000681566074 722211501 /nfs/dbraw/zinc/21/15/01/722211501.db2.gz HBVWNURXCOGANN-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1F ZINC000749146148 722717987 /nfs/dbraw/zinc/71/79/87/722717987.db2.gz ROSATSCQIRYTPD-UHFFFAOYSA-N -2 0 363.288 3.050 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000753768960 722912093 /nfs/dbraw/zinc/91/20/93/722912093.db2.gz GILVWJZBYBUOFG-UHFFFAOYSA-N -2 0 361.753 3.426 20 0 FGADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753774814 722912456 /nfs/dbraw/zinc/91/24/56/722912456.db2.gz OGBZQDJEOAYFDB-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000761954369 723200874 /nfs/dbraw/zinc/20/08/74/723200874.db2.gz QDUULYPQUNASFP-UHFFFAOYSA-N -2 0 372.805 3.037 20 0 FGADRL C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1F ZINC000795381756 723586860 /nfs/dbraw/zinc/58/68/60/723586860.db2.gz QLBLIWLPZBOVHF-QMMMGPOBSA-N -2 0 373.789 3.031 20 0 FGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)ccc1Cl ZINC000788492784 725067903 /nfs/dbraw/zinc/06/79/03/725067903.db2.gz GGUXIXOYJKUJPE-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000806636431 725138484 /nfs/dbraw/zinc/13/84/84/725138484.db2.gz NYBIMHDGGZDANK-SNVBAGLBSA-N -2 0 368.842 3.107 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc3cccnc32)c(C)c1 ZINC000821107020 729058301 /nfs/dbraw/zinc/05/83/01/729058301.db2.gz QZFVJCYTYCITJX-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL CCOc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc(Cl)c1O ZINC000910241486 744433225 /nfs/dbraw/zinc/43/32/25/744433225.db2.gz UZOJIVKLTFGCRJ-SGMGOOAPSA-N -2 0 367.829 3.160 20 0 FGADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000918062860 758302287 /nfs/dbraw/zinc/30/22/87/758302287.db2.gz AKKOFUFVWGNQRY-UHFFFAOYSA-N -2 0 367.398 3.328 20 0 FGADRL CCc1c([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cnn1CC(C)C ZINC000649619779 450599198 /nfs/dbraw/zinc/59/91/98/450599198.db2.gz WVSCHYBBXQQCTL-UHFFFAOYSA-N -2 0 357.863 3.261 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)sc1C ZINC000091017396 494510786 /nfs/dbraw/zinc/51/07/86/494510786.db2.gz ZRETVHKSQKZDRM-UHFFFAOYSA-N -2 0 350.421 3.345 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c(F)c1 ZINC000184656448 496482074 /nfs/dbraw/zinc/48/20/74/496482074.db2.gz SBNJWUXHBJNIQT-GFCCVEGCSA-N -2 0 351.399 3.198 20 0 FGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000181769978 496536892 /nfs/dbraw/zinc/53/68/92/496536892.db2.gz VFALHZYMDVGHMX-JTQLQIEISA-N -2 0 355.362 3.344 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1F ZINC000229620076 497099641 /nfs/dbraw/zinc/09/96/41/497099641.db2.gz NUUPFKRSQQREOH-UHFFFAOYSA-N -2 0 374.187 3.087 20 0 FGADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)cc1C(=O)[O-] ZINC000281287814 498089813 /nfs/dbraw/zinc/08/98/13/498089813.db2.gz XWUUREZGNPNAPJ-UHFFFAOYSA-N -2 0 371.846 3.004 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000315660462 498783984 /nfs/dbraw/zinc/78/39/84/498783984.db2.gz YSMSAKIIEAMTKJ-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000320081029 498805933 /nfs/dbraw/zinc/80/59/33/498805933.db2.gz BOMYTWHOIBJTFB-SNVBAGLBSA-N -2 0 355.437 3.424 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000323311794 498820123 /nfs/dbraw/zinc/82/01/23/498820123.db2.gz FXUZPKQIPOAATA-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000391746020 499557290 /nfs/dbraw/zinc/55/72/90/499557290.db2.gz MHUQVZUFNFGDRQ-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000392057389 499557845 /nfs/dbraw/zinc/55/78/45/499557845.db2.gz LKYSVZOBPBJXCW-UHFFFAOYSA-N -2 0 353.371 3.032 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)nn1C(C)C ZINC000421188217 499986494 /nfs/dbraw/zinc/98/64/94/499986494.db2.gz XDZHWJQUSWGMEF-UHFFFAOYSA-N -2 0 371.846 3.233 20 0 FGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])n2)cc1 ZINC000424242635 500473971 /nfs/dbraw/zinc/47/39/71/500473971.db2.gz FCEWRQOFRYBOSN-ACJLOTCBSA-N -2 0 371.437 3.027 20 0 FGADRL COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C ZINC000447272403 500582879 /nfs/dbraw/zinc/58/28/79/500582879.db2.gz WDXZFQNOJAVLMS-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL CCCCOc1ccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)c([O-])c1 ZINC000436993711 500588663 /nfs/dbraw/zinc/58/86/63/500588663.db2.gz GFHIGNNRBVWMOX-UHFFFAOYSA-N -2 0 370.434 3.159 20 0 FGADRL CC(=O)c1ccc([O-])c(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1 ZINC000447552282 500622873 /nfs/dbraw/zinc/62/28/73/500622873.db2.gz SSDLKKYGNPWTJL-UHFFFAOYSA-N -2 0 371.780 3.392 20 0 FGADRL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433489373 500703465 /nfs/dbraw/zinc/70/34/65/500703465.db2.gz CUHOBEKSYFIBRA-LLVKDONJSA-N -2 0 365.407 3.069 20 0 FGADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433508569 500706373 /nfs/dbraw/zinc/70/63/73/500706373.db2.gz XGZHLKPBWVALGO-UHFFFAOYSA-N -2 0 373.839 3.267 20 0 FGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1C(=O)[O-] ZINC000444417389 500845339 /nfs/dbraw/zinc/84/53/39/500845339.db2.gz DCOHIQRCXDWKLX-UHFFFAOYSA-N -2 0 371.418 3.193 20 0 FGADRL Cc1nc(C=Cc2cc(Cl)c([O-])cc2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC000436580827 501161837 /nfs/dbraw/zinc/16/18/37/501161837.db2.gz XQUQSLFXXAMAAQ-IHWYPQMZSA-N -2 0 355.177 3.301 20 0 FGADRL CO[C@@H](C)c1nc(=NC(=O)c2cc(Cc3ccccc3)ccc2[O-])s[n-]1 ZINC000436729176 501198674 /nfs/dbraw/zinc/19/86/74/501198674.db2.gz FZDXTVJMXDGHRN-LBPRGKRZSA-N -2 0 369.446 3.216 20 0 FGADRL Cc1csc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000451031264 501240558 /nfs/dbraw/zinc/24/05/58/501240558.db2.gz WCEWOKFKKZQHEG-UHFFFAOYSA-N -2 0 355.437 3.343 20 0 FGADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000467754794 501860781 /nfs/dbraw/zinc/86/07/81/501860781.db2.gz WSVYAGSWBZAWPW-UHFFFAOYSA-N -2 0 361.828 3.462 20 0 FGADRL CC(C)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000471127149 501929441 /nfs/dbraw/zinc/92/94/41/501929441.db2.gz IZYKOCSJVXIWIS-UHFFFAOYSA-N -2 0 367.448 3.392 20 0 FGADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461345192 502077500 /nfs/dbraw/zinc/07/75/00/502077500.db2.gz ZSRKJNVEECJPCQ-UHFFFAOYSA-N -2 0 365.354 3.195 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000484089670 502567835 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O=C([O-])CCCc1nnc(NC(=O)c2ccc3ccccc3c2O)s1 ZINC000739710279 722533760 /nfs/dbraw/zinc/53/37/60/722533760.db2.gz GIJZIRUEGMZMQI-UHFFFAOYSA-N -2 0 357.391 3.057 20 0 FGADRL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000749142728 722717560 /nfs/dbraw/zinc/71/75/60/722717560.db2.gz ROTFAPBHMCIFCI-UHFFFAOYSA-N -2 0 355.412 3.355 20 0 FGADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000753773661 722912494 /nfs/dbraw/zinc/91/24/94/722912494.db2.gz XPUUBYQFLJWETJ-UHFFFAOYSA-N -2 0 355.412 3.355 20 0 FGADRL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000758950949 722997245 /nfs/dbraw/zinc/99/72/45/722997245.db2.gz MBZNEXDZQODZPF-UHFFFAOYSA-N -2 0 369.439 3.496 20 0 FGADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000761886907 723192676 /nfs/dbraw/zinc/19/26/76/723192676.db2.gz LODZAMYKFNJJEL-UHFFFAOYSA-N -2 0 367.810 3.350 20 0 FGADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767737892 723631888 /nfs/dbraw/zinc/63/18/88/723631888.db2.gz USAMSPZQEAYWEY-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000771745117 723741395 /nfs/dbraw/zinc/74/13/95/723741395.db2.gz LKMJDIVEAXOJBG-UHFFFAOYSA-N -2 0 365.773 3.375 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000048440696 493828264 /nfs/dbraw/zinc/82/82/64/493828264.db2.gz YLVGTTIZDJMDQE-UHFFFAOYSA-N -2 0 362.226 3.010 20 0 FGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cnccc32)c1 ZINC000032604189 494000320 /nfs/dbraw/zinc/00/03/20/494000320.db2.gz KLMHGFLAJHRWPT-UHFFFAOYSA-N -2 0 362.794 3.387 20 0 FGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)c2n1 ZINC000066235511 494293259 /nfs/dbraw/zinc/29/32/59/494293259.db2.gz HBJCKJMFIFFFKW-UHFFFAOYSA-N -2 0 370.430 3.361 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000055311229 494325431 /nfs/dbraw/zinc/32/54/31/494325431.db2.gz XPRKWJHFBGQQPN-UHFFFAOYSA-N -2 0 374.212 3.158 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1C(=O)[O-] ZINC000110988600 495028975 /nfs/dbraw/zinc/02/89/75/495028975.db2.gz VDQXYNWKEJCGSH-UHFFFAOYSA-N -2 0 370.224 3.257 20 0 FGADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000278125021 497013176 /nfs/dbraw/zinc/01/31/76/497013176.db2.gz QVNVYACCZAFDSE-UHFFFAOYSA-N -2 0 358.441 3.149 20 0 FGADRL O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)[N-]O[C@H]1CCCCO1 ZINC000274892625 497192848 /nfs/dbraw/zinc/19/28/48/497192848.db2.gz PYJQOKKPYICPON-NSHDSACASA-N -2 0 354.819 3.438 20 0 FGADRL C[C@H](CCNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)CC(=O)[O-] ZINC000275047287 497226101 /nfs/dbraw/zinc/22/61/01/497226101.db2.gz RYJAWCJAUFUPCN-MRVPVSSYSA-N -2 0 373.780 3.138 20 0 FGADRL Cc1cc(C(=O)Nc2ccccc2OCC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266810480 497424163 /nfs/dbraw/zinc/42/41/63/497424163.db2.gz GYBZMQSBTAURHV-UHFFFAOYSA-N -2 0 368.393 3.032 20 0 FGADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000319731407 498804161 /nfs/dbraw/zinc/80/41/61/498804161.db2.gz CAYALALZGQDLFF-UHFFFAOYSA-N -2 0 355.437 3.282 20 0 FGADRL CCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000320525446 498807369 /nfs/dbraw/zinc/80/73/69/498807369.db2.gz HPTQJDJYDAGUGJ-UHFFFAOYSA-N -2 0 355.437 3.344 20 0 FGADRL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000325839321 498840131 /nfs/dbraw/zinc/84/01/31/498840131.db2.gz RFEAGMGHTBWSOP-UHFFFAOYSA-N -2 0 372.805 3.044 20 0 FGADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000327263231 498853591 /nfs/dbraw/zinc/85/35/91/498853591.db2.gz BIGKNTQZCPSISI-UHFFFAOYSA-N -2 0 367.398 3.286 20 0 FGADRL COc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1C(=O)[O-] ZINC000386157196 499548595 /nfs/dbraw/zinc/54/85/95/499548595.db2.gz KAIKIVQTGDEZNT-UHFFFAOYSA-N -2 0 363.416 3.409 20 0 FGADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000390246982 499553968 /nfs/dbraw/zinc/55/39/68/499553968.db2.gz VYMGTUDHNGOHMK-UHFFFAOYSA-N -2 0 355.799 3.156 20 0 FGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000392037904 499557968 /nfs/dbraw/zinc/55/79/68/499557968.db2.gz KIJIHYCOOGJHCL-UHFFFAOYSA-N -2 0 353.371 3.032 20 0 FGADRL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1O ZINC000421147879 499971882 /nfs/dbraw/zinc/97/18/82/499971882.db2.gz GEDIPMNBDBLSPD-OAHLLOKOSA-N -2 0 369.870 3.353 20 0 FGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000430990432 500318808 /nfs/dbraw/zinc/31/88/08/500318808.db2.gz OLQSDNBBXBDGFF-JTQLQIEISA-N -2 0 353.465 3.429 20 0 FGADRL CO[C@H](C)c1nc(=NC(=O)c2cc(Cc3ccccc3)ccc2[O-])s[n-]1 ZINC000436729175 501198509 /nfs/dbraw/zinc/19/85/09/501198509.db2.gz FZDXTVJMXDGHRN-GFCCVEGCSA-N -2 0 369.446 3.216 20 0 FGADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(C[C@@H](CC)C(=O)[O-])cc2)s1 ZINC000463782385 501820816 /nfs/dbraw/zinc/82/08/16/501820816.db2.gz MNVXEFGBOAFPDX-GFCCVEGCSA-N -2 0 368.480 3.160 20 0 FGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)s1 ZINC000486118377 502052437 /nfs/dbraw/zinc/05/24/37/502052437.db2.gz SAUJDRXDNZRJIA-UHFFFAOYSA-N -2 0 372.443 3.351 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000479562197 502298339 /nfs/dbraw/zinc/29/83/39/502298339.db2.gz HXOPUKJTBJJYHM-UHFFFAOYSA-N -2 0 353.396 3.090 20 0 FGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000462101278 502307178 /nfs/dbraw/zinc/30/71/78/502307178.db2.gz KPXXXDUSMRGZAV-UHFFFAOYSA-N -2 0 367.398 3.340 20 0 FGADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)s1 ZINC000489024770 502863498 /nfs/dbraw/zinc/86/34/98/502863498.db2.gz TWXYSQAMNXTPNU-UHFFFAOYSA-N -2 0 374.871 3.475 20 0 FGADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000509566335 502936325 /nfs/dbraw/zinc/93/63/25/502936325.db2.gz DXVWNLZBAFHAPX-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cn2)cc1 ZINC000509575832 502938736 /nfs/dbraw/zinc/93/87/36/502938736.db2.gz YMQOOSLPAWHZQR-UHFFFAOYSA-N -2 0 373.390 3.009 20 0 FGADRL Cc1cccc([C@@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F)c1 ZINC000582664474 506354470 /nfs/dbraw/zinc/35/44/70/506354470.db2.gz DJQWZZGLHHLLRG-CQSZACIVSA-N -2 0 367.389 3.163 20 0 FGADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000507024976 503214995 /nfs/dbraw/zinc/21/49/95/503214995.db2.gz DCEJWEQRHNOAPZ-UHFFFAOYSA-N -2 0 354.815 3.357 20 0 FGADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000507027188 503216216 /nfs/dbraw/zinc/21/62/16/503216216.db2.gz SNVQJPHWIQXNOA-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000509075207 503635926 /nfs/dbraw/zinc/63/59/26/503635926.db2.gz PFBAJJITSSEHLT-UHFFFAOYSA-N -2 0 374.418 3.292 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1C1CCCCC1 ZINC000517002710 503641848 /nfs/dbraw/zinc/64/18/48/503641848.db2.gz YJFYFMXCECEIRX-UHFFFAOYSA-N -2 0 369.468 3.257 20 0 FGADRL CSc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1C ZINC000540474969 503782244 /nfs/dbraw/zinc/78/22/44/503782244.db2.gz PPKXHHMUMWAOTG-UHFFFAOYSA-N -2 0 356.407 3.027 20 0 FGADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000540999913 503970805 /nfs/dbraw/zinc/97/08/05/503970805.db2.gz NGSUDQSNFKGIKS-UHFFFAOYSA-N -2 0 355.362 3.173 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1C ZINC000534344573 504117993 /nfs/dbraw/zinc/11/79/93/504117993.db2.gz XTWDHJKZMQDDOE-UHFFFAOYSA-N -2 0 372.402 3.457 20 0 FGADRL CN(C)c1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C(=O)[O-])c1 ZINC000547549229 504146066 /nfs/dbraw/zinc/14/60/66/504146066.db2.gz WBDKPSUSKMKTOA-UHFFFAOYSA-N -2 0 372.805 3.044 20 0 FGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000541807305 504260433 /nfs/dbraw/zinc/26/04/33/504260433.db2.gz KNCTUIJHKCJKSS-UHFFFAOYSA-N -2 0 366.464 3.156 20 0 FGADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(C)s2)c(C(=O)[O-])c1 ZINC000547902361 504260613 /nfs/dbraw/zinc/26/06/13/504260613.db2.gz AGLZJKXQWPUCAA-UHFFFAOYSA-N -2 0 355.437 3.181 20 0 FGADRL C[C@@](CNC(=O)N(c1ccccc1)c1ccccc1)(CC(=O)[O-])C(=O)[O-] ZINC000547934857 504265007 /nfs/dbraw/zinc/26/50/07/504265007.db2.gz YPXSOTFDFZKMHO-IBGZPJMESA-N -2 0 356.378 3.100 20 0 FGADRL CC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000542091955 504361259 /nfs/dbraw/zinc/36/12/59/504361259.db2.gz BBCJWMPZXLPJKM-UHFFFAOYSA-N -2 0 359.812 3.103 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000556792062 504976259 /nfs/dbraw/zinc/97/62/59/504976259.db2.gz QGJQNRFWHKWXKY-UHFFFAOYSA-N -2 0 363.288 3.050 20 0 FGADRL O=C([O-])c1ccc([C@@H]([N-]S(=O)(=O)CC2CCCC2)C(F)(F)F)cc1 ZINC000564927250 505559633 /nfs/dbraw/zinc/55/96/33/505559633.db2.gz SYYJKFIVINZVSI-CYBMUJFWSA-N -2 0 365.373 3.098 20 0 FGADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000314158603 599873460 /nfs/dbraw/zinc/87/34/60/599873460.db2.gz AATSHBMUQYNMTH-UHFFFAOYSA-N -2 0 351.327 3.266 20 0 FGADRL C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC(C)(C)C1 ZINC000736755768 599728103 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FGADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1F ZINC000740011286 600101714 /nfs/dbraw/zinc/10/17/14/600101714.db2.gz AIGHWMNONAGTIY-UHFFFAOYSA-N -2 0 350.780 3.431 20 0 FGADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccsc3C(=O)[O-])cc2)co1 ZINC000738828813 600177355 /nfs/dbraw/zinc/17/73/55/600177355.db2.gz DWSKQCCQWWDFCQ-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000738476492 600565807 /nfs/dbraw/zinc/56/58/07/600565807.db2.gz QEDPJMRCVKZFRH-UHFFFAOYSA-N -2 0 358.375 3.141 20 0 FGADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2)o1 ZINC000194140861 600672928 /nfs/dbraw/zinc/67/29/28/600672928.db2.gz OEYDKDKBJHWJDR-UHFFFAOYSA-N -2 0 364.404 3.211 20 0 FGADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)nc21 ZINC000832925710 600976608 /nfs/dbraw/zinc/97/66/08/600976608.db2.gz SQURHIQGOIUOLF-UHFFFAOYSA-N -2 0 368.461 3.474 20 0 FGADRL Cc1nc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)sc1C(=O)[O-] ZINC000833002970 600977525 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FGADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000828580496 604806594 /nfs/dbraw/zinc/80/65/94/604806594.db2.gz KRVXIZWCFGLGJP-UHFFFAOYSA-N -2 0 369.345 3.057 20 0 FGADRL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000833430549 605139042 /nfs/dbraw/zinc/13/90/42/605139042.db2.gz RJNMYSZPEVOBAA-UHFFFAOYSA-N -2 0 360.482 3.292 20 0 FGADRL Cc1cccc2sc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)nc21 ZINC000833753203 605167968 /nfs/dbraw/zinc/16/79/68/605167968.db2.gz NUXOVLNUUUJMPI-UHFFFAOYSA-N -2 0 366.395 3.243 20 0 FGADRL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1 ZINC000833466694 605203933 /nfs/dbraw/zinc/20/39/33/605203933.db2.gz LJUVBSSNSCTXMI-UHFFFAOYSA-N -2 0 353.421 3.086 20 0 FGADRL O=C([O-])Cc1csc(NC(=O)c2cc3ccccc3cc2NC(=O)[O-])n1 ZINC000834068574 606027786 /nfs/dbraw/zinc/02/77/86/606027786.db2.gz LSDRJVPGLNKCTN-UHFFFAOYSA-N -2 0 371.374 3.266 20 0 FGADRL O=C([O-])Nc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000834255194 606065633 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COCc1cc(-c2cccc(-n3[n-]c(C)c(CC(=O)[O-])c3=O)c2)cs1 ZINC000630576598 716478978 /nfs/dbraw/zinc/47/89/78/716478978.db2.gz LUKRNZDWSPOLNS-INIZCTEOSA-N -2 0 358.419 3.375 20 0 FGADRL Cc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1O ZINC000679843769 722050404 /nfs/dbraw/zinc/05/04/04/722050404.db2.gz GTLSIZXLPXCUJK-UHFFFAOYSA-N -2 0 363.435 3.054 20 0 FGADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000681566725 722211429 /nfs/dbraw/zinc/21/14/29/722211429.db2.gz NSMZWJPZYPRGPN-UHFFFAOYSA-N -2 0 369.826 3.464 20 0 FGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC000685902539 722407440 /nfs/dbraw/zinc/40/74/40/722407440.db2.gz YJEKJINLTJATBS-UHFFFAOYSA-N -2 0 374.340 3.216 20 0 FGADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000749144313 722717783 /nfs/dbraw/zinc/71/77/83/722717783.db2.gz WLIDZEBRRSCOEO-LLVKDONJSA-N -2 0 367.398 3.341 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1O ZINC000753779023 722912886 /nfs/dbraw/zinc/91/28/86/722912886.db2.gz KGOIKKSFGFMPJO-UHFFFAOYSA-N -2 0 355.799 3.161 20 0 FGADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)ccc1C ZINC000753778907 722912942 /nfs/dbraw/zinc/91/29/42/722912942.db2.gz QTCMPNXMDPAVAB-UHFFFAOYSA-N -2 0 367.398 3.340 20 0 FGADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000754758806 722945385 /nfs/dbraw/zinc/94/53/85/722945385.db2.gz CYMHGPBEVHGIKF-UHFFFAOYSA-N -2 0 358.803 3.006 20 0 FGADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000760486992 723058918 /nfs/dbraw/zinc/05/89/18/723058918.db2.gz QZIWGEVKKOGFHW-UHFFFAOYSA-N -2 0 359.131 3.095 20 0 FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1O ZINC000762454181 723244717 /nfs/dbraw/zinc/24/47/17/723244717.db2.gz FNNKPKDTCPITCV-UHFFFAOYSA-N -2 0 369.826 3.470 20 0 FGADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cccnc2Cl)cc1)C(=O)[O-] ZINC000766371311 723570406 /nfs/dbraw/zinc/57/04/06/723570406.db2.gz VDUXXZUVISLYAJ-GFCCVEGCSA-N -2 0 368.842 3.189 20 0 FGADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000775294871 723978490 /nfs/dbraw/zinc/97/84/90/723978490.db2.gz HORTTXCQDUDAIH-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(Cl)nc2)cccc1C(=O)[O-] ZINC000799125133 723989507 /nfs/dbraw/zinc/98/95/07/723989507.db2.gz GVKBPOPJOHYKTF-UHFFFAOYSA-N -2 0 370.814 3.021 20 0 FGADRL CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(F)F ZINC000840889050 730188317 /nfs/dbraw/zinc/18/83/17/730188317.db2.gz AGAIMOJRWSICOW-QMMMGPOBSA-N -2 0 362.181 3.014 20 0 FGADRL COc1ccc(C2CC2)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000872412980 735625214 /nfs/dbraw/zinc/62/52/14/735625214.db2.gz AZZXWZRIPJZMTN-UHFFFAOYSA-N -2 0 353.421 3.133 20 0 FGADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000916103618 758036841 /nfs/dbraw/zinc/03/68/41/758036841.db2.gz QNEKLHOTADVPGD-UHFFFAOYSA-N -2 0 367.398 3.328 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)C3CC3)n2)sc1C(=O)[O-] ZINC000580003264 505659341 /nfs/dbraw/zinc/65/93/41/505659341.db2.gz NLRQXOXGCUWQQG-JTQLQIEISA-N -2 0 369.468 3.031 20 0 FGADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C(=O)[O-])c1 ZINC000060360629 493926894 /nfs/dbraw/zinc/92/68/94/493926894.db2.gz JCQCJUGLALWSGU-UHFFFAOYSA-N -2 0 359.325 3.220 20 0 FGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000070825808 494059788 /nfs/dbraw/zinc/05/97/88/494059788.db2.gz MDUOAYKGENXZRL-UHFFFAOYSA-N -2 0 371.436 3.045 20 0 FGADRL C=CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000057124038 494648130 /nfs/dbraw/zinc/64/81/30/494648130.db2.gz YPKSSVNTHWJNTK-UHFFFAOYSA-N -2 0 353.421 3.120 20 0 FGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1 ZINC000047212134 494655715 /nfs/dbraw/zinc/65/57/15/494655715.db2.gz FQVCFMBIBFYHSN-UHFFFAOYSA-N -2 0 370.386 3.373 20 0 FGADRL O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000127471945 494949339 /nfs/dbraw/zinc/94/93/39/494949339.db2.gz BHJDUTMIHVBYJC-UHFFFAOYSA-N -2 0 372.797 3.489 20 0 FGADRL O=S(=O)(CCc1cccs1)Nc1ccc(OC(F)(F)F)cc1O ZINC000568925246 505808907 /nfs/dbraw/zinc/80/89/07/505808907.db2.gz DWWBNBSBGHWOAD-UHFFFAOYSA-N -2 0 367.370 3.337 20 0 FGADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C ZINC000160163060 495898447 /nfs/dbraw/zinc/89/84/47/495898447.db2.gz NJVZPXGBAKEGST-UHFFFAOYSA-N -2 0 371.846 3.144 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c1C#N ZINC000181773674 496538276 /nfs/dbraw/zinc/53/82/76/496538276.db2.gz UHKQULDNCWAQHH-CYBMUJFWSA-N -2 0 358.419 3.246 20 0 FGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000181772853 496538689 /nfs/dbraw/zinc/53/86/89/496538689.db2.gz VDPHMVVSIADBBH-SNVBAGLBSA-N -2 0 355.362 3.344 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(-c2ncco2)c1 ZINC000164679353 496627854 /nfs/dbraw/zinc/62/78/54/496627854.db2.gz DIGQABWQFDDIHR-UHFFFAOYSA-N -2 0 362.363 3.050 20 0 FGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(O)c1 ZINC000314797857 498779383 /nfs/dbraw/zinc/77/93/83/498779383.db2.gz CSVGCWIMIADQIR-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000321434958 498812543 /nfs/dbraw/zinc/81/25/43/498812543.db2.gz VAYYHYYFBVAFIQ-UHFFFAOYSA-N -2 0 355.437 3.263 20 0 FGADRL CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2OC)c(C(=O)[O-])c1 ZINC000326742496 498846807 /nfs/dbraw/zinc/84/68/07/498846807.db2.gz IXQCHZUZKKBRKZ-UHFFFAOYSA-N -2 0 369.826 3.410 20 0 FGADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000392705447 499559034 /nfs/dbraw/zinc/55/90/34/499559034.db2.gz KAIJYMNDFGZUBK-UHFFFAOYSA-N -2 0 373.789 3.377 20 0 FGADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000393120745 499559980 /nfs/dbraw/zinc/55/99/80/499559980.db2.gz ZVHVXZIOVCEEQO-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL CCc1ccc(S(=O)(=O)Nc2cc(C)c(OC)cc2C)cc1C(=O)[O-] ZINC000435715112 501016083 /nfs/dbraw/zinc/01/60/83/501016083.db2.gz OPMGOCBUBSUTLH-UHFFFAOYSA-N -2 0 363.435 3.373 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c[nH]1 ZINC000440822936 501053218 /nfs/dbraw/zinc/05/32/18/501053218.db2.gz UNGLRYVBBWNANG-UHFFFAOYSA-N -2 0 357.391 3.257 20 0 FGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000467755374 501861831 /nfs/dbraw/zinc/86/18/31/501861831.db2.gz ZCTPEUBNKUTIBU-UHFFFAOYSA-N -2 0 365.407 3.014 20 0 FGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000460834579 501933364 /nfs/dbraw/zinc/93/33/64/501933364.db2.gz HRVOLWLILSXOQI-UHFFFAOYSA-N -2 0 365.354 3.352 20 0 FGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)s1 ZINC000486129934 502056459 /nfs/dbraw/zinc/05/64/59/502056459.db2.gz QYQHGKVCUVPIOC-UHFFFAOYSA-N -2 0 368.480 3.222 20 0 FGADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461347374 502079173 /nfs/dbraw/zinc/07/91/73/502079173.db2.gz QTOYWBOSMNUTCT-UHFFFAOYSA-N -2 0 351.327 3.266 20 0 FGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000479513444 502280823 /nfs/dbraw/zinc/28/08/23/502280823.db2.gz ITUHVGBQRXFVFD-UHFFFAOYSA-N -2 0 355.412 3.355 20 0 FGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000470438112 502773558 /nfs/dbraw/zinc/77/35/58/502773558.db2.gz MFMVZAHJFZJLMW-UHFFFAOYSA-N -2 0 371.361 3.253 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)ccc1F ZINC000484987044 502792979 /nfs/dbraw/zinc/79/29/79/502792979.db2.gz LTNVYRHRXVHSAT-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)s1 ZINC000488988284 502855371 /nfs/dbraw/zinc/85/53/71/502855371.db2.gz VWLNXOMVSFBPDB-UHFFFAOYSA-N -2 0 354.453 3.075 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(C(=O)[O-])c1 ZINC000509571642 502938130 /nfs/dbraw/zinc/93/81/30/502938130.db2.gz RIPMUPRDUBKBGX-UHFFFAOYSA-N -2 0 357.334 3.095 20 0 FGADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000588833839 506351171 /nfs/dbraw/zinc/35/11/71/506351171.db2.gz SVNQQWNTAMQQAE-JTQLQIEISA-N -2 0 355.437 3.263 20 0 FGADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000507008052 503211292 /nfs/dbraw/zinc/21/12/92/503211292.db2.gz QWBQHQWDTUWFTO-UHFFFAOYSA-N -2 0 373.789 3.295 20 0 FGADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1 ZINC000507019045 503213371 /nfs/dbraw/zinc/21/33/71/503213371.db2.gz CNSCSYLUQUMHMY-UHFFFAOYSA-N -2 0 374.393 3.490 20 0 FGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c1 ZINC000511321897 503300076 /nfs/dbraw/zinc/30/00/76/503300076.db2.gz DYZPHOFCZMXURP-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL O=C([O-])c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2)c(F)c1 ZINC000504587953 503593512 /nfs/dbraw/zinc/59/35/12/503593512.db2.gz ZFQFDQVPXGNPLH-UHFFFAOYSA-N -2 0 357.790 3.162 20 0 FGADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1)C(=O)[O-] ZINC000504703779 503606871 /nfs/dbraw/zinc/60/68/71/503606871.db2.gz PYPKEMKSNCEISR-SECBINFHSA-N -2 0 372.855 3.101 20 0 FGADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512742338 503623675 /nfs/dbraw/zinc/62/36/75/503623675.db2.gz MCCRQTVYONSNBF-LLVKDONJSA-N -2 0 367.398 3.341 20 0 FGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000509066623 503633861 /nfs/dbraw/zinc/63/38/61/503633861.db2.gz NZRWITAVAOQABG-UHFFFAOYSA-N -2 0 371.361 3.089 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000540906376 503932884 /nfs/dbraw/zinc/93/28/84/503932884.db2.gz DRFJQBTYKMZRED-UHFFFAOYSA-N -2 0 373.427 3.482 20 0 FGADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000541003796 503971283 /nfs/dbraw/zinc/97/12/83/503971283.db2.gz XRNVIPNOLZGRSQ-UHFFFAOYSA-N -2 0 355.362 3.173 20 0 FGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000547548244 504146352 /nfs/dbraw/zinc/14/63/52/504146352.db2.gz JZWOCUAROZCFDQ-UHFFFAOYSA-N -2 0 368.773 3.158 20 0 FGADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000547585608 504152012 /nfs/dbraw/zinc/15/20/12/504152012.db2.gz UXHILCMOKCVJGL-UHFFFAOYSA-N -2 0 361.828 3.218 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)c(Cl)c1 ZINC000534973719 504298114 /nfs/dbraw/zinc/29/81/14/504298114.db2.gz YLUUCLSVRPFCFV-UHFFFAOYSA-N -2 0 358.828 3.173 20 0 FGADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1F ZINC000548554451 504481352 /nfs/dbraw/zinc/48/13/52/504481352.db2.gz OUMREYXHFODYFG-UHFFFAOYSA-N -2 0 365.716 3.256 20 0 FGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000535687014 504507459 /nfs/dbraw/zinc/50/74/59/504507459.db2.gz UILOLMCERKMBCC-LLVKDONJSA-N -2 0 363.439 3.231 20 0 FGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000539359906 504541385 /nfs/dbraw/zinc/54/13/85/504541385.db2.gz UNZGHJNYBHSKBS-UHFFFAOYSA-N -2 0 372.402 3.189 20 0 FGADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000520628623 504545136 /nfs/dbraw/zinc/54/51/36/504545136.db2.gz PTRFUBPQBUXNJR-UHFFFAOYSA-N -2 0 374.871 3.290 20 0 FGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000604691760 506910028 /nfs/dbraw/zinc/91/00/28/506910028.db2.gz PFKVMFJBTBVGJE-UHFFFAOYSA-N -2 0 374.443 3.456 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1C(=O)[O-] ZINC000607102968 507612673 /nfs/dbraw/zinc/61/26/73/507612673.db2.gz NJZQMMFJUWQLAQ-UHFFFAOYSA-N -2 0 361.419 3.283 20 0 FGADRL COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000614731606 507639003 /nfs/dbraw/zinc/63/90/03/507639003.db2.gz GXSIPNPMFGBCJK-UHFFFAOYSA-N -2 0 361.419 3.073 20 0 FGADRL CC(=O)Nc1ccc([O-])c(C(=O)N=c2cc(-c3ccccc3C)[nH][nH]2)c1 ZINC000540421099 516547099 /nfs/dbraw/zinc/54/70/99/516547099.db2.gz QSGIQPYVWMZELT-UHFFFAOYSA-N -2 0 350.378 3.301 20 0 FGADRL CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736431935 599738166 /nfs/dbraw/zinc/73/81/66/599738166.db2.gz KKNFLMKUEAXSMR-UHFFFAOYSA-N -2 0 353.396 3.204 20 0 FGADRL Cc1cc(C)cc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])c1 ZINC000736746328 599988495 /nfs/dbraw/zinc/98/84/95/599988495.db2.gz NQLRDZZFSDDWKR-GOSISDBHSA-N -2 0 374.437 3.373 20 0 FGADRL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)nc21 ZINC000738347385 600053861 /nfs/dbraw/zinc/05/38/61/600053861.db2.gz JJEFLHZCABZWTF-UHFFFAOYSA-N -2 0 362.432 3.412 20 0 FGADRL Cc1cccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c1C(=O)[O-] ZINC000738746739 600054340 /nfs/dbraw/zinc/05/43/40/600054340.db2.gz KMEIIDMHGNERRC-UHFFFAOYSA-N -2 0 354.453 3.248 20 0 FGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000738348138 600055015 /nfs/dbraw/zinc/05/50/15/600055015.db2.gz XUVPXIWARWENKH-CYBMUJFWSA-N -2 0 365.455 3.298 20 0 FGADRL O=C([O-])c1cccc(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000740226221 600225568 /nfs/dbraw/zinc/22/55/68/600225568.db2.gz DVXXYRQENLSUFD-CQSZACIVSA-N -2 0 373.352 3.108 20 0 FGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000738654495 600489233 /nfs/dbraw/zinc/48/92/33/600489233.db2.gz AWQODJPTXVQSTM-UHFFFAOYSA-N -2 0 355.437 3.101 20 0 FGADRL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000736431746 600576696 /nfs/dbraw/zinc/57/66/96/600576696.db2.gz FLZXBOPOASQTJR-UHFFFAOYSA-N -2 0 364.423 3.006 20 0 FGADRL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000736286767 600613666 /nfs/dbraw/zinc/61/36/66/600613666.db2.gz VHNXMIJFYZMFRN-UHFFFAOYSA-N -2 0 365.407 3.069 20 0 FGADRL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736285630 600613689 /nfs/dbraw/zinc/61/36/89/600613689.db2.gz HHNMCFPJWPXRCM-UHFFFAOYSA-N -2 0 355.437 3.424 20 0 FGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3cc(C(=O)[O-])ccn3)n2)cc1 ZINC000827113230 600721740 /nfs/dbraw/zinc/72/17/40/600721740.db2.gz YNILXNOCOLSQKW-UHFFFAOYSA-N -2 0 366.377 3.047 20 0 FGADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000751215354 600983640 /nfs/dbraw/zinc/98/36/40/600983640.db2.gz ZVXVCJGICRQAQN-UHFFFAOYSA-N -2 0 355.799 3.107 20 0 FGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000833030407 601233370 /nfs/dbraw/zinc/23/33/70/601233370.db2.gz VDGCQLKSDQMSAV-UHFFFAOYSA-N -2 0 367.276 3.245 20 0 FGADRL Cc1ccc2nc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)sc2c1 ZINC000391719186 601358320 /nfs/dbraw/zinc/35/83/20/601358320.db2.gz BQNKBXXUUZLNTR-UHFFFAOYSA-N -2 0 366.395 3.243 20 0 FGADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000314012591 601359284 /nfs/dbraw/zinc/35/92/84/601359284.db2.gz GWXLXEVPHSUQNN-UHFFFAOYSA-N -2 0 361.206 3.196 20 0 FGADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000828870843 601501789 /nfs/dbraw/zinc/50/17/89/601501789.db2.gz XIHVNSFLQUJPAP-UHFFFAOYSA-N -2 0 369.468 3.249 20 0 FGADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])s1 ZINC000828870588 601501933 /nfs/dbraw/zinc/50/19/33/601501933.db2.gz RRRXQNQQHYVHOS-UHFFFAOYSA-N -2 0 373.431 3.080 20 0 FGADRL Cc1ccc(/C=C\S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1 ZINC000832930436 601771374 /nfs/dbraw/zinc/77/13/74/601771374.db2.gz XCXWQUHAMAYGEQ-KTKRTIGZSA-N -2 0 366.464 3.271 20 0 FGADRL CC(C)CCc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000826861233 601838722 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CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000830049739 602309060 /nfs/dbraw/zinc/30/90/60/602309060.db2.gz ONKKYGAFLYFPIF-UHFFFAOYSA-N -2 0 361.828 3.299 20 0 FGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000830049662 602309410 /nfs/dbraw/zinc/30/94/10/602309410.db2.gz MGJLSDPUJBBQQG-UHFFFAOYSA-N -2 0 361.828 3.299 20 0 FGADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000761886383 602315110 /nfs/dbraw/zinc/31/51/10/602315110.db2.gz KTKIURUQLYDWOQ-UHFFFAOYSA-N -2 0 353.783 3.042 20 0 FGADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000761885362 602315571 /nfs/dbraw/zinc/31/55/71/602315571.db2.gz BYNOHGOGYNGDRU-UHFFFAOYSA-N -2 0 367.810 3.350 20 0 FGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000740129921 602646439 /nfs/dbraw/zinc/64/64/39/602646439.db2.gz ONCXCMVGXMCMDO-UHFFFAOYSA-N -2 0 364.398 3.366 20 0 FGADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)s1)C(=O)[O-] ZINC000739446464 602655160 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3.060 20 0 FGADRL CC(C)CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833484474 605184680 /nfs/dbraw/zinc/18/46/80/605184680.db2.gz QIVNRXBFWUOODP-UHFFFAOYSA-N -2 0 353.396 3.204 20 0 FGADRL O=C([O-])N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000832375794 605763721 /nfs/dbraw/zinc/76/37/21/605763721.db2.gz MIJWQMNNAMMCQR-CYBMUJFWSA-N -2 0 360.797 3.195 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])c(C)o1 ZINC000833900790 606012648 /nfs/dbraw/zinc/01/26/48/606012648.db2.gz BDFQEALYLBGZGI-UHFFFAOYSA-N -2 0 350.396 3.128 20 0 FGADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000042795650 695785440 /nfs/dbraw/zinc/78/54/40/695785440.db2.gz SSVAOUWRYJBFMR-UHFFFAOYSA-N -2 0 373.789 3.377 20 0 FGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1C(=O)[O-] ZINC000178955508 705682703 /nfs/dbraw/zinc/68/27/03/705682703.db2.gz FOQRFLZICDSIEQ-UHFFFAOYSA-N -2 0 366.395 3.243 20 0 FGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)ccc1F ZINC000195441045 713556444 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FGADRL C[C@@H](O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC000795380392 723586812 /nfs/dbraw/zinc/58/68/12/723586812.db2.gz LAAHMTBQZQPKLX-MRVPVSSYSA-N -2 0 373.789 3.031 20 0 FGADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc2cccnc21 ZINC000821107276 729058394 /nfs/dbraw/zinc/05/83/94/729058394.db2.gz WLUYZVOUCQJQTA-UHFFFAOYSA-N -2 0 360.366 3.181 20 0 FGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncsc1C1CC1 ZINC000882771192 737488931 /nfs/dbraw/zinc/48/89/31/737488931.db2.gz RRDDMNFTXIACAI-UHFFFAOYSA-N -2 0 352.437 3.082 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ncsc2C2CC2)cc(C(=O)[O-])c1Cl ZINC000882772279 737489420 /nfs/dbraw/zinc/48/94/20/737489420.db2.gz OZNOAYBPJYTHKX-UHFFFAOYSA-N -2 0 372.855 3.481 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)c(F)c1 ZINC000097986957 495046344 /nfs/dbraw/zinc/04/63/44/495046344.db2.gz FJSAVPUGBDCRBZ-UHFFFAOYSA-N -2 0 374.187 3.087 20 0 FGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)s1 ZINC000292286221 497955875 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CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000583708142 506926541 /nfs/dbraw/zinc/92/65/41/506926541.db2.gz HSUFWRQPXJAKCW-UHFFFAOYSA-N -2 0 369.826 3.497 20 0 FGADRL CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736751509 599992795 /nfs/dbraw/zinc/99/27/95/599992795.db2.gz RBWQGNVYIWGLCT-KRWDZBQOSA-N -2 0 366.373 3.010 20 0 FGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c1C(=O)[O-] ZINC000738968835 600055212 /nfs/dbraw/zinc/05/52/12/600055212.db2.gz COZRAVNYKITFNS-SNVBAGLBSA-N -2 0 369.443 3.199 20 0 FGADRL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000738113707 600236425 /nfs/dbraw/zinc/23/64/25/600236425.db2.gz LBYLOKJJIBLOTL-UHFFFAOYSA-N -2 0 373.386 3.454 20 0 FGADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)s1 ZINC000737267919 600299740 /nfs/dbraw/zinc/29/97/40/600299740.db2.gz NOXISCNCHRJXIR-UHFFFAOYSA-N -2 0 354.453 3.221 20 0 FGADRL CCOc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c2ccccc12 ZINC000737210654 600514474 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CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC000775679234 724023199 /nfs/dbraw/zinc/02/31/99/724023199.db2.gz RRRDXIIFNVVFDW-SECBINFHSA-N -2 0 371.846 3.315 20 0 FGADRL CC(C)c1scnc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000808130278 725185511 /nfs/dbraw/zinc/18/55/11/725185511.db2.gz KMNWOPJTPFASNZ-UHFFFAOYSA-N -2 0 362.379 3.044 20 0 FGADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816836269 727199639 /nfs/dbraw/zinc/19/96/39/727199639.db2.gz KZQNDXYQUZNSCQ-UHFFFAOYSA-N -2 0 372.431 3.099 20 0 FGADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000825449003 729383882 /nfs/dbraw/zinc/38/38/82/729383882.db2.gz JHSMDDPHEPGRIV-VIFPVBQESA-N -2 0 356.350 3.094 20 0 FGADRL O=C([O-])N1CC[C@@H](C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)C1 ZINC000834051764 729755760 /nfs/dbraw/zinc/75/57/60/729755760.db2.gz LZOGQJJLIPKUEF-RXMQYKEDSA-N -2 0 353.589 3.291 20 0 FGADRL O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC000910110474 744418634 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FGADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])s1 ZINC000484497355 502654867 /nfs/dbraw/zinc/65/48/67/502654867.db2.gz GDTGHDVPVXOWJQ-UHFFFAOYSA-N -2 0 372.493 3.128 20 0 FGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(Cl)c1 ZINC000489698942 503014257 /nfs/dbraw/zinc/01/42/57/503014257.db2.gz KYRMGUWXQDPGNC-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc2n[nH]cc21 ZINC000499264544 503368499 /nfs/dbraw/zinc/36/84/99/503368499.db2.gz HXMAUAFXLZMQNS-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000499499851 503419600 /nfs/dbraw/zinc/41/96/00/503419600.db2.gz AKERBKLMTLTUEY-UHFFFAOYSA-N -2 0 360.416 3.309 20 0 FGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000512766557 503628131 /nfs/dbraw/zinc/62/81/31/503628131.db2.gz KCYXONGAFKKPSR-UHFFFAOYSA-N -2 0 367.398 3.420 20 0 FGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000527314885 503761541 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FGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1C1CC1 ZINC000535685397 504507235 /nfs/dbraw/zinc/50/72/35/504507235.db2.gz IINOMNPSIBAWNO-VIFPVBQESA-N -2 0 367.427 3.132 20 0 FGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000532099200 504533186 /nfs/dbraw/zinc/53/31/86/504533186.db2.gz JUTAQIFKKIVXQL-UHFFFAOYSA-N -2 0 373.427 3.483 20 0 FGADRL Cc1c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c2ccccc2n1C ZINC000551106998 505158439 /nfs/dbraw/zinc/15/84/39/505158439.db2.gz XBWQVCAGSMVIKW-UHFFFAOYSA-N -2 0 358.419 3.294 20 0 FGADRL Cc1c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c2ccccc2n1C ZINC000551109563 505159348 /nfs/dbraw/zinc/15/93/48/505159348.db2.gz NCBZWRKWWOHLNH-UHFFFAOYSA-N -2 0 362.382 3.125 20 0 FGADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000614776016 507649176 /nfs/dbraw/zinc/64/91/76/507649176.db2.gz VGWCAHJJPRBRRQ-UHFFFAOYSA-N -2 0 356.403 3.351 20 0 FGADRL O=C([O-])CCS(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000739741776 599873417 /nfs/dbraw/zinc/87/34/17/599873417.db2.gz FLLZQAXHLOEIEW-UHFFFAOYSA-N -2 0 355.799 3.349 20 0 FGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000738277206 599966406 /nfs/dbraw/zinc/96/64/06/599966406.db2.gz RAMHKVDWAAFFOT-LBPRGKRZSA-N -2 0 365.455 3.298 20 0 FGADRL C[C@@](CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000736541575 599981733 /nfs/dbraw/zinc/98/17/33/599981733.db2.gz MAKRPPLHNMTLCC-UTKZUKDTSA-N -2 0 369.417 3.141 20 0 FGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)sc2C1 ZINC000736936647 600054765 /nfs/dbraw/zinc/05/47/65/600054765.db2.gz BUJNKGUBHHRZNU-SNVBAGLBSA-N -2 0 366.464 3.157 20 0 FGADRL CCc1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])sc1C ZINC000737283381 600055946 /nfs/dbraw/zinc/05/59/46/600055946.db2.gz XHBHCAVMZBBAQA-UHFFFAOYSA-N -2 0 360.844 3.166 20 0 FGADRL Cc1csc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n1 ZINC000316068527 600101699 /nfs/dbraw/zinc/10/16/99/600101699.db2.gz ZKQXKTHZIIYAEK-UHFFFAOYSA-N -2 0 354.434 3.165 20 0 FGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1C(=O)[O-] ZINC000738968817 600104194 /nfs/dbraw/zinc/10/41/94/600104194.db2.gz BIHFAFMWDAGLTL-UHFFFAOYSA-N -2 0 372.402 3.457 20 0 FGADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000738688150 600149563 /nfs/dbraw/zinc/14/95/63/600149563.db2.gz HHSRPMAGXNFNHB-UHFFFAOYSA-N -2 0 360.416 3.309 20 0 FGADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738900614 600638026 /nfs/dbraw/zinc/63/80/26/600638026.db2.gz HATBBPRPQMHPEF-UHFFFAOYSA-N -2 0 371.846 3.233 20 0 FGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000740143648 600694660 /nfs/dbraw/zinc/69/46/60/600694660.db2.gz JCAFGFKNTOUNQV-UHFFFAOYSA-N -2 0 365.382 3.114 20 0 FGADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000740291301 600695214 /nfs/dbraw/zinc/69/52/14/600695214.db2.gz ZJWCOMBJAVSGDJ-UHFFFAOYSA-N -2 0 353.421 3.036 20 0 FGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NC3CCC(C(=O)[O-])CC3)n2)cc1 ZINC000236859758 600707381 /nfs/dbraw/zinc/70/73/81/600707381.db2.gz VLNIVAKZOASCEG-UHFFFAOYSA-N -2 0 371.437 3.075 20 0 FGADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])c1C ZINC000737312932 600891755 /nfs/dbraw/zinc/89/17/55/600891755.db2.gz VSUCEAYZSCPZGQ-UHFFFAOYSA-N -2 0 365.455 3.142 20 0 FGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000740075319 600893862 /nfs/dbraw/zinc/89/38/62/600893862.db2.gz KAHSSTIDOGTEQL-UHFFFAOYSA-N -2 0 362.190 3.198 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)ccc1C(=O)[O-] ZINC000832904281 600976881 /nfs/dbraw/zinc/97/68/81/600976881.db2.gz DQAHKKJNXNFSEH-CYBMUJFWSA-N -2 0 365.455 3.298 20 0 FGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000831946652 601150380 /nfs/dbraw/zinc/15/03/80/601150380.db2.gz WAQMLINTGLLVDA-UHFFFAOYSA-N -2 0 361.828 3.218 20 0 FGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000023385847 601318672 /nfs/dbraw/zinc/31/86/72/601318672.db2.gz PNHQGQPBEIDFSX-FMIVXFBMSA-N -2 0 361.419 3.374 20 0 FGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c1C ZINC000321233309 601358440 /nfs/dbraw/zinc/35/84/40/601358440.db2.gz BYFBVTSQDRZBFB-UHFFFAOYSA-N -2 0 352.437 3.136 20 0 FGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)n[nH]2)s1 ZINC000832906307 601605403 /nfs/dbraw/zinc/60/54/03/601605403.db2.gz XSRSPLAHUKXGTL-UHFFFAOYSA-N -2 0 369.449 3.007 20 0 FGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000388162277 601772027 /nfs/dbraw/zinc/77/20/27/601772027.db2.gz KFZQPSMPWMPYAJ-UHFFFAOYSA-N -2 0 360.844 3.005 20 0 FGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c2n[nH]cc21 ZINC000745834143 601829078 /nfs/dbraw/zinc/82/90/78/601829078.db2.gz NCXHYMMUGWNRLX-UHFFFAOYSA-N -2 0 365.798 3.024 20 0 FGADRL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)sc1C(=O)[O-] ZINC000832899069 601830990 /nfs/dbraw/zinc/83/09/90/601830990.db2.gz CJLFIUUHBBTCKJ-UHFFFAOYSA-N -2 0 367.448 3.269 20 0 FGADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n[nH]1 ZINC000829216562 601862111 /nfs/dbraw/zinc/86/21/11/601862111.db2.gz OHPIFWIEPISEPJ-SECBINFHSA-N -2 0 371.846 3.466 20 0 FGADRL O=C([O-])CCCCCCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000403280254 601962206 /nfs/dbraw/zinc/96/22/06/601962206.db2.gz ZIPYLALKVWJXHF-UHFFFAOYSA-N -2 0 351.827 3.183 20 0 FGADRL O=C([O-])CCCCCCCNC(=O)c1cccc(Br)c1[O-] ZINC000833225547 602052190 /nfs/dbraw/zinc/05/21/90/602052190.db2.gz YQIGWNVZWJWRQY-UHFFFAOYSA-N -2 0 358.232 3.310 20 0 FGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)cs1 ZINC000833303981 602103699 /nfs/dbraw/zinc/10/36/99/602103699.db2.gz CXDZDFNOXAMYRZ-UHFFFAOYSA-N -2 0 369.468 3.093 20 0 FGADRL O=C([O-])N1CCc2cc(NC(=O)CC3(C(=O)[O-])CCCCCC3)ccc21 ZINC000740350258 602270518 /nfs/dbraw/zinc/27/05/18/602270518.db2.gz UBDSUHFVJPZGNB-UHFFFAOYSA-N -2 0 360.410 3.481 20 0 FGADRL O=C([O-])Nc1cc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])ccc1F ZINC000833283231 602299740 /nfs/dbraw/zinc/29/97/40/602299740.db2.gz QAKJZUUTJZXQAB-UHFFFAOYSA-N -2 0 374.303 3.198 20 0 FGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2CN(C)C(=O)[O-])c(C)s1 ZINC000740092785 602654610 /nfs/dbraw/zinc/65/46/10/602654610.db2.gz FUBIPCFISVLSBG-UHFFFAOYSA-N -2 0 354.453 3.276 20 0 FGADRL O=C([O-])NC[C@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000832534042 603750499 /nfs/dbraw/zinc/75/04/99/603750499.db2.gz RPWUDFDHRGBTDL-LLVKDONJSA-N -2 0 362.813 3.319 20 0 FGADRL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1ccccc1Cl ZINC000832079199 604015163 /nfs/dbraw/zinc/01/51/63/604015163.db2.gz FZKFVSWSNCEMSP-UHFFFAOYSA-N -2 0 352.799 3.181 20 0 FGADRL CCc1nc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)sc1C(=O)[O-] ZINC000833675395 604991721 /nfs/dbraw/zinc/99/17/21/604991721.db2.gz NYIYJQARKQAGTF-CMDGGOBGSA-N -2 0 352.437 3.125 20 0 FGADRL CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)ccc21 ZINC000833494819 605183118 /nfs/dbraw/zinc/18/31/18/605183118.db2.gz NVIKYKVXUPFKQR-UHFFFAOYSA-N -2 0 362.407 3.389 20 0 FGADRL O=C([O-])NC[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000832413522 605759658 /nfs/dbraw/zinc/75/96/58/605759658.db2.gz APYONFXPRZDUIG-GFCCVEGCSA-N -2 0 357.391 3.106 20 0 FGADRL O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000834096133 605985776 /nfs/dbraw/zinc/98/57/76/605985776.db2.gz IJSHQOQKKYLUHB-BDAKNGLRSA-N -2 0 359.209 3.056 20 0 FGADRL