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365.382 1.874 20 0 FDADRL C[C@H](C(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001594622563 986668412 /nfs/dbraw/zinc/66/84/12/986668412.db2.gz LRLUKJMSTZMFOH-NXEZZACHSA-N -2 0 363.395 1.248 20 0 FDADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCc1nnc(C2CCCC2)o1 ZINC001589450106 986835769 /nfs/dbraw/zinc/83/57/69/986835769.db2.gz AMGJNCRFPGTIOM-ZJUUUORDSA-N -2 0 373.431 1.215 20 0 FDADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001589452697 986850481 /nfs/dbraw/zinc/85/04/81/986850481.db2.gz MKIMBFKKHFPBIM-DDHJSBNISA-N -2 0 369.439 1.362 20 0 FDADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC001589453080 986856603 /nfs/dbraw/zinc/85/66/03/986856603.db2.gz CWMJKVIADKCPJV-UWVGGRQHSA-N -2 0 369.374 1.180 20 0 FDADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC001589453587 986863594 /nfs/dbraw/zinc/86/35/94/986863594.db2.gz GTWBIMAYZLNPTO-YWPYICTPSA-N -2 0 369.439 1.749 20 0 FDADRL 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973317573 /nfs/dbraw/zinc/31/75/73/973317573.db2.gz GBFRPTGAGDYKBS-UHFFFAOYSA-N -2 0 364.217 1.736 20 0 FDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000863956388 973319239 /nfs/dbraw/zinc/31/92/39/973319239.db2.gz NYGAZONUGBFJEB-JGVFFNPUSA-N -2 0 366.317 1.406 20 0 FDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2)C1CCCC1 ZINC000863958041 973322249 /nfs/dbraw/zinc/32/22/49/973322249.db2.gz YFMDUEFJGPBGDJ-HNNXBMFYSA-N -2 0 367.423 1.708 20 0 FDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000863959000 973323266 /nfs/dbraw/zinc/32/32/66/973323266.db2.gz PWFUJRVJGNTSPY-CQSZACIVSA-N -2 0 350.396 1.639 20 0 FDADRL Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1 ZINC000863960012 973325634 /nfs/dbraw/zinc/32/56/34/973325634.db2.gz HQXVZRPZYBISEU-UHFFFAOYSA-N -2 0 373.402 1.352 20 0 FDADRL COCc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863960873 973326666 /nfs/dbraw/zinc/32/66/66/973326666.db2.gz BWQSECAQTZFYGH-HNNXBMFYSA-N -2 0 369.439 1.670 20 0 FDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000863961265 973327570 /nfs/dbraw/zinc/32/75/70/973327570.db2.gz JNHZSQBRTRLVRJ-OAHLLOKOSA-N -2 0 359.831 1.829 20 0 FDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000863961936 973328586 /nfs/dbraw/zinc/32/85/86/973328586.db2.gz VYNSYUZKZDOCEC-UHFFFAOYSA-N -2 0 372.374 1.160 20 0 FDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000863961376 973329042 /nfs/dbraw/zinc/32/90/42/973329042.db2.gz OCPUGUHLLCGYID-ZDUSSCGKSA-N -2 0 367.757 1.924 20 0 FDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000863962190 973329840 /nfs/dbraw/zinc/32/98/40/973329840.db2.gz YWHNRHCEKKSPEV-UHFFFAOYSA-N -2 0 357.413 1.387 20 0 FDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000863962977 973331224 /nfs/dbraw/zinc/33/12/24/973331224.db2.gz DTVGKAWBWGYSGL-CQSZACIVSA-N -2 0 363.794 1.926 20 0 FDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000863963192 973332182 /nfs/dbraw/zinc/33/21/82/973332182.db2.gz NUWMEUYJDHTLSR-LLVKDONJSA-N -2 0 351.783 1.782 20 0 FDADRL CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863963881 973333179 /nfs/dbraw/zinc/33/31/79/973333179.db2.gz JTSNHOKEMBFMDE-HNNXBMFYSA-N -2 0 356.400 1.175 20 0 FDADRL COC(=O)c1oc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1C ZINC000863965501 973335962 /nfs/dbraw/zinc/33/59/62/973335962.db2.gz YFEGMGAQMRUHOD-NSHDSACASA-N -2 0 373.383 1.071 20 0 FDADRL COc1ccc(OCCCS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000863965341 973336229 /nfs/dbraw/zinc/33/62/29/973336229.db2.gz GYZFKFYAZQFLFZ-AWEZNQCLSA-N -2 0 373.427 1.267 20 0 FDADRL Cc1nc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198740985 973446040 /nfs/dbraw/zinc/44/60/40/973446040.db2.gz LWBOZHWMQHBKBK-UHFFFAOYSA-N -2 0 370.408 1.293 20 0 FDADRL CS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198782331 973467834 /nfs/dbraw/zinc/46/78/34/973467834.db2.gz HKFDSMIPFONVSH-UHFFFAOYSA-N -2 0 371.392 1.295 20 0 FDADRL Cc1nc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)sc1Br ZINC000864501002 973589435 /nfs/dbraw/zinc/58/94/35/973589435.db2.gz HYSIVCNHPQHYSC-OLQVQODUSA-N -2 0 355.235 1.356 20 0 FDADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2sccc2C)cc1 ZINC000776303281 975319418 /nfs/dbraw/zinc/31/94/18/975319418.db2.gz LJFFKCITHFKTDM-UHFFFAOYSA-N -2 0 374.465 1.682 20 0 FDADRL CC(C)O[N-]C(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001591735657 975727472 /nfs/dbraw/zinc/72/74/72/975727472.db2.gz WIIGTJJFJNACTQ-UHFFFAOYSA-N -2 0 363.139 1.681 20 0 FDADRL CC(C)c1nn(C)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001592049978 976784403 /nfs/dbraw/zinc/78/44/03/976784403.db2.gz GITASGAOEGLVCC-UHFFFAOYSA-N -2 0 365.411 1.502 20 0 FDADRL Cn1nc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000776428306 977389130 /nfs/dbraw/zinc/38/91/30/977389130.db2.gz XJTBROYBPKDCKV-UHFFFAOYSA-N -2 0 365.289 1.818 20 0 FDADRL C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC001592370531 977884483 /nfs/dbraw/zinc/88/44/83/977884483.db2.gz FRSMTCJYVNAVBD-MNOVXSKESA-N -2 0 358.416 1.235 20 0 FDADRL C[C@H](C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-] ZINC001592464798 978203991 /nfs/dbraw/zinc/20/39/91/978203991.db2.gz ZNXLRGGYURVNHH-GHMZBOCLSA-N -2 0 358.416 1.377 20 0 FDADRL C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001592484695 978258371 /nfs/dbraw/zinc/25/83/71/978258371.db2.gz DWUUATMZFLFKFF-QMMMGPOBSA-N -2 0 365.354 1.975 20 0 FDADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000851700841 979004754 /nfs/dbraw/zinc/00/47/54/979004754.db2.gz DCYUNOZYVGNQIG-KWQFWETISA-N -2 0 374.319 1.023 20 0 FDADRL Cc1ccoc1CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704245 979007560 /nfs/dbraw/zinc/00/75/60/979007560.db2.gz UQVVGXYLDQMINB-CABZTGNLSA-N -2 0 362.304 1.253 20 0 FDADRL C[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)C(=O)[O-] ZINC001592698468 979155771 /nfs/dbraw/zinc/15/57/71/979155771.db2.gz CTBDYNCUJVUWLB-SSDOTTSWSA-N -2 0 354.306 1.399 20 0 FDADRL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)Oc1cccc(Cl)c1 ZINC001592716093 979215603 /nfs/dbraw/zinc/21/56/03/979215603.db2.gz PLTWKJZUWOJDGE-QMMMGPOBSA-N -2 0 360.775 1.772 20 0 FDADRL CCC(CC)(CNC(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)C(=O)[O-] ZINC001595063317 979323108 /nfs/dbraw/zinc/32/31/08/979323108.db2.gz SYGIBCOIFBEYSQ-UHFFFAOYSA-N -2 0 364.398 1.947 20 0 FDADRL CC[C@H](Oc1ccccc1C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001595356741 980715294 /nfs/dbraw/zinc/71/52/94/980715294.db2.gz JSWSIGIWCOYONE-UPJWGTAASA-N -2 0 357.428 1.708 20 0 FDADRL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001595404548 980982922 /nfs/dbraw/zinc/98/29/22/980982922.db2.gz IZNFDZLEPOCKKL-ZIAGYGMSSA-N -2 0 367.423 1.677 20 0 FDADRL CCC[C@H](C)C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC001595572191 981483462 /nfs/dbraw/zinc/48/34/62/981483462.db2.gz ZOHBMOWJOKHJHX-SMDDNHRTSA-N -2 0 357.428 1.872 20 0 FDADRL CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC000882712047 981615486 /nfs/dbraw/zinc/61/54/86/981615486.db2.gz ZOMPMEQDPYAGQO-LJQANCHMSA-N -2 0 362.260 1.930 20 0 FDADRL CC[C@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001594759900 981689856 /nfs/dbraw/zinc/68/98/56/981689856.db2.gz STCKABCHHLFSQS-NSHDSACASA-N -2 0 369.424 1.993 20 0 FDADRL CCC[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)[C@H]1C(=O)[O-] ZINC001595623704 981723892 /nfs/dbraw/zinc/72/38/92/981723892.db2.gz ZDPGGDAIZYZSDA-NOZJJQNGSA-N -2 0 359.375 1.788 20 0 FDADRL CCCC[C@H](NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)C(=O)[O-] ZINC001595642184 981971225 /nfs/dbraw/zinc/97/12/25/981971225.db2.gz JNOPKSGTXYOJAZ-ZDUSSCGKSA-N -2 0 355.412 1.725 20 0 FDADRL CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001594874495 982202718 /nfs/dbraw/zinc/20/27/18/982202718.db2.gz CXTHSWNBXFRBMM-IAQYHMDHSA-N -2 0 373.427 1.660 20 0 FDADRL CC[C@H](C)C[C@H](NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC)C(=O)[O-] ZINC001594953358 982679538 /nfs/dbraw/zinc/67/95/38/982679538.db2.gz PGGCQOYZYSJYBB-JQWIXIFHSA-N -2 0 373.427 1.490 20 0 FDADRL CCCSC[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)C(=O)[O-] ZINC001595987715 983240080 /nfs/dbraw/zinc/24/00/80/983240080.db2.gz OLZRAVVRUHOMMA-NSHDSACASA-N -2 0 365.404 1.399 20 0 FDADRL CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001596174583 983540709 /nfs/dbraw/zinc/54/07/09/983540709.db2.gz GHIHXQYRQWYRDH-AWEZNQCLSA-N -2 0 361.391 1.573 20 0 FDADRL Cc1ccccc1OCCCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000645963029 1014979800 /nfs/dbraw/zinc/97/98/00/1014979800.db2.gz UVRZOSWSMRSEBI-UHFFFAOYSA-N -2 0 356.425 1.897 20 0 FDADRL CCOC(=O)Cc1cnc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)s1 ZINC001596637255 984625871 /nfs/dbraw/zinc/62/58/71/984625871.db2.gz UXJNTQBVGJJANB-UHFFFAOYSA-N -2 0 374.396 1.649 20 0 FDADRL CCOC(=O)c1ccc(CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])cc1 ZINC001596718709 984952027 /nfs/dbraw/zinc/95/20/27/984952027.db2.gz ABIJBIHYONLTDE-UHFFFAOYSA-N -2 0 351.327 1.003 20 0 FDADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c(F)c1 ZINC001596726456 984982844 /nfs/dbraw/zinc/98/28/44/984982844.db2.gz PIVLNCNOJDCPHW-UHFFFAOYSA-N -2 0 371.346 1.084 20 0 FDADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1 ZINC001596726682 984984505 /nfs/dbraw/zinc/98/45/05/984984505.db2.gz YVACYQOREZOJGU-UHFFFAOYSA-N -2 0 351.340 1.152 20 0 FDADRL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001596732660 985012787 /nfs/dbraw/zinc/01/27/87/985012787.db2.gz MEMMEUXOHWSQAP-UHFFFAOYSA-N -2 0 353.356 1.096 20 0 FDADRL CC(=O)CC(C)(C)CC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589030477 985062260 /nfs/dbraw/zinc/06/22/60/985062260.db2.gz UTKAAIXTEZRHOQ-UHFFFAOYSA-N -2 0 356.400 1.553 20 0 FDADRL CCOC(=O)c1csc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC001596748525 985076557 /nfs/dbraw/zinc/07/65/57/985076557.db2.gz HMTWIZSDQHSZHX-UHFFFAOYSA-N -2 0 370.408 1.748 20 0 FDADRL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)oc1C ZINC001596749215 985085216 /nfs/dbraw/zinc/08/52/16/985085216.db2.gz FZBMGWSEGALUTJ-UHFFFAOYSA-N -2 0 355.328 1.054 20 0 FDADRL CCOC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001596754455 985115364 /nfs/dbraw/zinc/11/53/64/985115364.db2.gz OJLZWMFLBQHGQR-UHFFFAOYSA-N -2 0 368.342 1.896 20 0 FDADRL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001589217594 985720029 /nfs/dbraw/zinc/72/00/29/985720029.db2.gz LDLAVXIBWCYQEO-UHFFFAOYSA-N -2 0 353.331 1.100 20 0 FDADRL CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1(C)C ZINC001589231216 985785749 /nfs/dbraw/zinc/78/57/49/985785749.db2.gz YWGHFVBFUSVRJF-UONOGXRCSA-N -2 0 367.423 1.582 20 0 FDADRL Cc1c(Br)csc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001599974278 986063114 /nfs/dbraw/zinc/06/31/14/986063114.db2.gz NUAMTEWCIQLLLL-RXMQYKEDSA-N -2 0 356.219 1.352 20 0 FDADRL C[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001594554731 986276488 /nfs/dbraw/zinc/27/64/88/986276488.db2.gz QQDCSSDSUBXUJQ-VXNVDRBHSA-N -2 0 363.338 1.394 20 0 FDADRL CCOc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1OC ZINC001597062406 986556128 /nfs/dbraw/zinc/55/61/28/986556128.db2.gz KWNJPTRNHGZBEX-UWVGGRQHSA-N -2 0 359.400 1.263 20 0 FDADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C12CC(c3ccccc3)(C1)C2 ZINC001589451507 986845684 /nfs/dbraw/zinc/84/56/84/986845684.db2.gz ITPFZKDOEQMEJT-MQAIEQDTSA-N -2 0 351.424 1.664 20 0 FDADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)C12CC(c3ccccc3)(C1)C2 ZINC001589451508 986846111 /nfs/dbraw/zinc/84/61/11/986846111.db2.gz ITPFZKDOEQMEJT-VDQHWBOFSA-N -2 0 351.424 1.664 20 0 FDADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccn(Cc2ccccc2)n1 ZINC001589452832 986853130 /nfs/dbraw/zinc/85/31/30/986853130.db2.gz BDMYMABXRFVUAN-VXGBXAGGSA-N -2 0 365.411 1.100 20 0 FDADRL CCOc1ccc(OCC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001597130893 986853732 /nfs/dbraw/zinc/85/37/32/986853732.db2.gz XOKBYICCTLQGQB-UHFFFAOYSA-N -2 0 369.351 1.260 20 0 FDADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccccc1C(F)(F)F ZINC001589453204 986859031 /nfs/dbraw/zinc/85/90/31/986859031.db2.gz OYESEXUYPBRNPR-RKDXNWHRSA-N -2 0 367.345 1.803 20 0 FDADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC001589454164 986874148 /nfs/dbraw/zinc/87/41/48/986874148.db2.gz UDACMBMDSBRCJL-KUCHZILPSA-N -2 0 371.842 1.781 20 0 FDADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC2 ZINC001589454245 986875179 /nfs/dbraw/zinc/87/51/79/986875179.db2.gz VBRBNBPNNFADKG-GHMZBOCLSA-N -2 0 355.412 1.109 20 0 FDADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC001589454431 986878792 /nfs/dbraw/zinc/87/87/92/986878792.db2.gz VXRZBRKJVIVJIL-SRVKXCTJSA-N -2 0 372.418 1.207 20 0 FDADRL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001594656630 986908867 /nfs/dbraw/zinc/90/88/67/986908867.db2.gz CPYNKWVGGACEEV-IMTBSYHQSA-N -2 0 365.816 1.575 20 0 FDADRL C[C@@H](C(=O)[O-])[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001589469575 986944561 /nfs/dbraw/zinc/94/45/61/986944561.db2.gz UTDRUMUAQMDGAD-RISCZKNCSA-N -2 0 370.427 1.079 20 0 FDADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Oc2cccnc2)cc1 ZINC001589492438 987063473 /nfs/dbraw/zinc/06/34/73/987063473.db2.gz UJGZZCNQBJCGHG-JTQLQIEISA-N -2 0 350.352 1.407 20 0 FDADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC001589494650 987071377 /nfs/dbraw/zinc/07/13/77/987071377.db2.gz KIUWJEQTODKMMU-GFCCVEGCSA-N -2 0 369.439 1.860 20 0 FDADRL CC(C)(C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)CC(=O)[O-] ZINC001589710578 987835974 /nfs/dbraw/zinc/83/59/74/987835974.db2.gz SPCUZBBHGPJFRP-SECBINFHSA-N -2 0 361.391 1.939 20 0 FDADRL CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1scnc1C(=O)[O-] 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ZINC001596754049 985112111 /nfs/dbraw/zinc/11/21/11/985112111.db2.gz FWQSXPIBBGWGHA-UHFFFAOYSA-N -2 0 370.408 1.748 20 0 FDADRL CCOC(=O)c1oc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nc1C ZINC001596755096 985122459 /nfs/dbraw/zinc/12/24/59/985122459.db2.gz IWXAREKZGLVAIM-UHFFFAOYSA-N -2 0 368.367 1.967 20 0 FDADRL CCOC1(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)CCCC1 ZINC001596798466 985307298 /nfs/dbraw/zinc/30/72/98/985307298.db2.gz ORYMRUYLHAYFRB-UHFFFAOYSA-N -2 0 373.402 1.607 20 0 FDADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001599940973 985454129 /nfs/dbraw/zinc/45/41/29/985454129.db2.gz ANZBUTKWCAZXBU-UHFFFAOYSA-N -2 0 359.386 1.202 20 0 FDADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)nc1 ZINC001589199315 985630341 /nfs/dbraw/zinc/63/03/41/985630341.db2.gz CZAQCAAADQPPMS-WTKPLQERSA-N -2 0 361.379 1.939 20 0 FDADRL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001596908390 985907264 /nfs/dbraw/zinc/90/72/64/985907264.db2.gz 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ZINC001589452822 986853252 /nfs/dbraw/zinc/85/32/52/986853252.db2.gz BAHWPVVMOHVFCW-DTWKUNHWSA-N -2 0 369.424 1.374 20 0 FDADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(F)cccc2c1 ZINC001589453730 986866273 /nfs/dbraw/zinc/86/62/73/986866273.db2.gz IPTXIYTVPNUAIE-DTWKUNHWSA-N -2 0 354.359 1.543 20 0 FDADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccn(C2CCCCC2)n1 ZINC001589453717 986866553 /nfs/dbraw/zinc/86/65/53/986866553.db2.gz IMVWWUGMMLZCFV-GHMZBOCLSA-N -2 0 357.432 1.557 20 0 FDADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C2CCOCC2)cc1 ZINC001589455346 986895917 /nfs/dbraw/zinc/89/59/17/986895917.db2.gz YLLDWASUXZBMPK-NWDGAFQWSA-N -2 0 369.439 1.749 20 0 FDADRL C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1c([O-])cccc1F ZINC001594656667 986908870 /nfs/dbraw/zinc/90/88/70/986908870.db2.gz CWMAYKSXBRPWSY-PSASIEDQSA-N -2 0 356.375 1.026 20 0 FDADRL C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cc(F)c([O-])c(F)c1 ZINC001594657084 986914881 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364.335 1.544 20 0 FDADRL CC(C)(C)N1CC[C@@](F)(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001589806878 988234535 /nfs/dbraw/zinc/23/45/35/988234535.db2.gz VRUKZLULDALMKO-INIZCTEOSA-N -2 0 372.418 1.402 20 0 FDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])n1 ZINC001597604264 988480054 /nfs/dbraw/zinc/48/00/54/988480054.db2.gz JJXPZFOBOPDBQN-BFUOFWGJSA-N -2 0 373.409 1.845 20 0 FDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@]2(COC)C(=O)[O-])n1 ZINC001597604627 988482639 /nfs/dbraw/zinc/48/26/39/988482639.db2.gz RHVMHERPUOTSCP-LJQANCHMSA-N -2 0 373.409 1.846 20 0 FDADRL C[C@@H](C(=O)[O-])N(Cc1ccc(Cl)cc1)S(=O)(=O)CCCC(=O)[O-] ZINC001599831887 988687255 /nfs/dbraw/zinc/68/72/55/988687255.db2.gz WDJWWKZZRUGPFN-JTQLQIEISA-N -2 0 363.819 1.810 20 0 FDADRL CCc1nc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)sc1C(=O)[O-] ZINC001597685162 988827769 /nfs/dbraw/zinc/82/77/69/988827769.db2.gz CXYLHDXBUCALCF-PSASIEDQSA-N -2 0 364.445 1.197 20 0 FDADRL CCc1nc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)sc1C(=O)[O-] ZINC001597685627 988839654 /nfs/dbraw/zinc/83/96/54/988839654.db2.gz VGNGVBKOQQLKAI-QMMMGPOBSA-N -2 0 372.428 1.362 20 0 FDADRL C[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001599848542 988974989 /nfs/dbraw/zinc/97/49/89/988974989.db2.gz RFNFIPZUGAKJKB-KCJUWKMLSA-N -2 0 359.304 1.309 20 0 FDADRL CC(C)(C)OC[C@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])C(=O)[O-] ZINC001590388273 989907402 /nfs/dbraw/zinc/90/74/02/989907402.db2.gz DCLTUORPIQTXIH-JTQLQIEISA-N -2 0 363.363 1.071 20 0 FDADRL CC(C)(CS(=O)(=O)N1C[C@H](c2ccccc2)[C@](F)(C(=O)[O-])C1)C(=O)[O-] ZINC001590789534 990615247 /nfs/dbraw/zinc/61/52/47/990615247.db2.gz ZATDKZLZGDRJFS-WBMJQRKESA-N -2 0 373.402 1.319 20 0 FDADRL CC(C)(CS(=O)(=O)[N-]C(=O)/C=C/c1ccc2ccccc2n1)C(=O)[O-] ZINC001590798098 990619112 /nfs/dbraw/zinc/61/91/12/990619112.db2.gz KVMMFUTXFCVHED-MDZDMXLPSA-N -2 0 362.407 1.805 20 0 FDADRL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)nc1 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371.440 1.825 20 0 FDADRL C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(CCC(=O)[O-])CC(=O)[O-] ZINC001589390706 986505933 /nfs/dbraw/zinc/50/59/33/986505933.db2.gz GJPMXKXOWKNOGT-IWERZKIRSA-N -2 0 352.431 1.321 20 0 FDADRL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C1CCOCC1 ZINC001589422116 986661153 /nfs/dbraw/zinc/66/11/53/986661153.db2.gz BHOMAXUGGYBJAL-NSHDSACASA-N -2 0 355.412 1.394 20 0 FDADRL C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1cccc(Br)c1 ZINC001589423675 986681731 /nfs/dbraw/zinc/68/17/31/986681731.db2.gz PBXNJSIXKCYETE-YUMQZZPRSA-N -2 0 364.217 1.472 20 0 FDADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCc1c(F)cccc1F ZINC001589450969 986842722 /nfs/dbraw/zinc/84/27/22/986842722.db2.gz GQBMQHCDZZNSGW-NXEZZACHSA-N -2 0 363.382 1.843 20 0 FDADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cn1ccc2ccc(F)cc21 ZINC001589451484 986844582 /nfs/dbraw/zinc/84/45/82/986844582.db2.gz ILSCVRDTVXAVNU-UWVGGRQHSA-N -2 0 356.375 1.336 20 0 FDADRL 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C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CSCc1cccc(Cl)c1 ZINC001589491233 987057732 /nfs/dbraw/zinc/05/77/32/987057732.db2.gz IXFJSGCZYAUWLZ-MRVPVSSYSA-N -2 0 351.833 1.492 20 0 FDADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC001589492865 987066074 /nfs/dbraw/zinc/06/60/74/987066074.db2.gz ZYCZSRJVKMDRNA-QMMMGPOBSA-N -2 0 369.317 1.089 20 0 FDADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC001589495871 987076095 /nfs/dbraw/zinc/07/60/95/987076095.db2.gz SKDKSUFCECNJFQ-SSDOTTSWSA-N -2 0 366.222 1.944 20 0 FDADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCc1ccc2c(c1)OCCCO2 ZINC001589496407 987077985 /nfs/dbraw/zinc/07/79/85/987077985.db2.gz WDVGEDJQJTWFHR-LLVKDONJSA-N -2 0 371.411 1.090 20 0 FDADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)c1 ZINC001594717385 987194416 /nfs/dbraw/zinc/19/44/16/987194416.db2.gz WTDDJPLQMRTNJB-UHFFFAOYSA-N -2 0 359.787 1.602 20 0 FDADRL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)C(F)(F)F ZINC000871870156 987294401 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FDADRL C[C@@H](CSCc1ccccc1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000827581165 604815980 /nfs/dbraw/zinc/81/59/80/604815980.db2.gz JCFSXJBQQZIXAK-LBPRGKRZSA-N -2 0 359.469 1.867 20 0 FDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CN(C)C(=O)[O-])c(Cl)cc1F ZINC000830133348 604847125 /nfs/dbraw/zinc/84/71/25/604847125.db2.gz RQOYIEIVVDKJJD-MRVPVSSYSA-N -2 0 366.798 1.838 20 0 FDADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC000829881659 604890222 /nfs/dbraw/zinc/89/02/22/604890222.db2.gz RYWDWHDTDTXTTQ-UHFFFAOYSA-N -2 0 366.351 1.463 20 0 FDADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cn1 ZINC000829881633 604890231 /nfs/dbraw/zinc/89/02/31/604890231.db2.gz QHRQRQUMZMDVHD-UHFFFAOYSA-N -2 0 356.381 1.819 20 0 FDADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000652499527 604944799 /nfs/dbraw/zinc/94/47/99/604944799.db2.gz AKQCPAIEVGKUIS-GFCCVEGCSA-N -2 0 365.455 1.831 20 0 FDADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccsc1)C1CCN(C(=O)[O-])CC1 ZINC000824680187 605091210 /nfs/dbraw/zinc/09/12/10/605091210.db2.gz SNXWVLHCLXPDFL-SNVBAGLBSA-N -2 0 360.457 1.969 20 0 FDADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000823632451 605096963 /nfs/dbraw/zinc/09/69/63/605096963.db2.gz IDQQNPUXQMDYOQ-SNVBAGLBSA-N -2 0 374.802 1.347 20 0 FDADRL CC1(OCC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCC1 ZINC000833572828 605118897 /nfs/dbraw/zinc/11/88/97/605118897.db2.gz YDCKTHYCILOHIR-UHFFFAOYSA-N -2 0 361.803 1.802 20 0 FDADRL Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)cc12 ZINC000674049973 605161202 /nfs/dbraw/zinc/16/12/02/605161202.db2.gz DIKUAEUCCNEAIZ-UHFFFAOYSA-N -2 0 364.358 1.915 20 0 FDADRL CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000833508477 605166942 /nfs/dbraw/zinc/16/69/42/605166942.db2.gz WMSKFOQVDNYAHF-UHFFFAOYSA-N -2 0 360.392 1.943 20 0 FDADRL COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c(OC)n1 ZINC000833733325 605186501 /nfs/dbraw/zinc/18/65/01/605186501.db2.gz NXOKNCKPXNVIID-UHFFFAOYSA-N -2 0 352.368 1.906 20 0 FDADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000833479109 605241454 /nfs/dbraw/zinc/24/14/54/605241454.db2.gz KMFPLRLEMBROJQ-LLVKDONJSA-N -2 0 360.436 1.026 20 0 FDADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c(C)n1C(C)C ZINC000829962177 605268082 /nfs/dbraw/zinc/26/80/82/605268082.db2.gz UYRAJCKTIHPAHH-LBPRGKRZSA-N -2 0 357.432 1.498 20 0 FDADRL C[C@@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000824809414 605274339 /nfs/dbraw/zinc/27/43/39/605274339.db2.gz GVJIBCBVMPZOQW-JSGCOSHPSA-N -2 0 370.427 1.290 20 0 FDADRL O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000831969686 605275654 /nfs/dbraw/zinc/27/56/54/605275654.db2.gz RQRKUWDDQGMMDY-AWEZNQCLSA-N -2 0 366.439 1.697 20 0 FDADRL C[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000824679377 605275746 /nfs/dbraw/zinc/27/57/46/605275746.db2.gz KIFOGJSMHXHBJX-GXFFZTMASA-N -2 0 358.391 1.518 20 0 FDADRL CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)s1 ZINC000823859671 605279683 /nfs/dbraw/zinc/27/96/83/605279683.db2.gz VTWNOLLGYFKVLM-VIFPVBQESA-N -2 0 360.457 1.858 20 0 FDADRL C[C@H](CC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)c1cccc(F)c1 ZINC000824679342 605281026 /nfs/dbraw/zinc/28/10/26/605281026.db2.gz JMAWIGZMLYZGPT-MFKMUULPSA-N -2 0 358.391 1.518 20 0 FDADRL CCn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c2ccccc21 ZINC000827700726 605281160 /nfs/dbraw/zinc/28/11/60/605281160.db2.gz OXRBBCFFRFOHAJ-LLVKDONJSA-N -2 0 365.411 1.473 20 0 FDADRL CC(C)(CC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000823881614 605282069 /nfs/dbraw/zinc/28/20/69/605282069.db2.gz HUXKTWMBXUPAHW-ZDUSSCGKSA-N -2 0 354.428 1.553 20 0 FDADRL CCSc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000827509019 605282474 /nfs/dbraw/zinc/28/24/74/605282474.db2.gz UYOCMDJBQSBANE-SNVBAGLBSA-N -2 0 359.429 1.006 20 0 FDADRL CC[C@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000826631710 605284072 /nfs/dbraw/zinc/28/40/72/605284072.db2.gz MNYGBHJFONOBAY-JQWIXIFHSA-N -2 0 374.390 1.181 20 0 FDADRL O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)[C@H]2CSc3ccccc32)C1 ZINC000831748106 605284218 /nfs/dbraw/zinc/28/42/18/605284218.db2.gz SURIFWFXPPEZHH-ONGXEEELSA-N -2 0 356.425 1.074 20 0 FDADRL COc1cccc(/C(C)=C/C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000829536980 605284540 /nfs/dbraw/zinc/28/45/40/605284540.db2.gz CAZWZODIPCKNSL-BMGYJQCNSA-N -2 0 368.411 1.297 20 0 FDADRL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCC1=O ZINC000833589696 605292781 /nfs/dbraw/zinc/29/27/81/605292781.db2.gz NTXBVFCIDNNGPH-ZWNOBZJWSA-N -2 0 353.396 1.336 20 0 FDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CSCCN2C(=O)[O-])cc1 ZINC000830413878 605343612 /nfs/dbraw/zinc/34/36/12/605343612.db2.gz BXOYGTUCJHEFQE-LLVKDONJSA-N -2 0 358.441 1.285 20 0 FDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000826727478 605418788 /nfs/dbraw/zinc/41/87/88/605418788.db2.gz FMRQRXLYRCFURV-QWRGUYRKSA-N -2 0 352.478 1.354 20 0 FDADRL O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC000834048569 605513108 /nfs/dbraw/zinc/51/31/08/605513108.db2.gz MZAFYHKTGOABFE-NSHDSACASA-N -2 0 370.431 1.269 20 0 FDADRL Cn1cc(S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-])c2ccccc21 ZINC000833950246 605694292 /nfs/dbraw/zinc/69/42/92/605694292.db2.gz DTVGMONCWAFNCG-UHFFFAOYSA-N -2 0 353.400 1.420 20 0 FDADRL O=C([O-])N1CC(CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000834069201 605726986 /nfs/dbraw/zinc/72/69/86/605726986.db2.gz RZEIEDYCYAVCAO-UHFFFAOYSA-N -2 0 355.235 1.399 20 0 FDADRL CCCN(C(=O)Cc1c(C)nc(C)[nH]c1=O)C1CCN(C(=O)[O-])CC1 ZINC000826862517 605824626 /nfs/dbraw/zinc/82/46/26/605824626.db2.gz KJFUQOAPZCRQFE-UHFFFAOYSA-N -2 0 350.419 1.723 20 0 FDADRL Cc1cc(C(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000829919619 605862062 /nfs/dbraw/zinc/86/20/62/605862062.db2.gz PDRXNDGVKUUZIM-IUCAKERBSA-N -2 0 361.358 1.005 20 0 FDADRL C[C@]1(C(=O)OCC(=O)[N-]OCc2ccccc2)CCCCN1C(=O)[O-] ZINC000833822070 605867527 /nfs/dbraw/zinc/86/75/27/605867527.db2.gz MUWSZIDRRDMGGT-QGZVFWFLSA-N -2 0 350.371 1.700 20 0 FDADRL O=C([O-])N1CCC2(C[C@H]2C(=O)[N-]S(=O)(=O)Cc2ccccc2)CC1 ZINC000834051326 605948591 /nfs/dbraw/zinc/94/85/91/605948591.db2.gz PEKNBHNHGZWWSF-ZDUSSCGKSA-N -2 0 352.412 1.413 20 0 FDADRL O=C([O-])N1CCC2(C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000834051889 605948823 /nfs/dbraw/zinc/94/88/23/605948823.db2.gz WVIWSGSMSDWHCM-SNVBAGLBSA-N -2 0 374.365 1.550 20 0 FDADRL O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])cc1 ZINC000834058298 606055390 /nfs/dbraw/zinc/05/53/90/606055390.db2.gz BMXDAQAEYSQDCS-CHWSQXEVSA-N -2 0 363.370 1.266 20 0 FDADRL C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000833894823 606060177 /nfs/dbraw/zinc/06/01/77/606060177.db2.gz HWTOYGXGOSTREX-MFKMUULPSA-N -2 0 363.370 1.361 20 0 FDADRL O=C([O-])C[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccc(F)cc1F ZINC000834059410 606067935 /nfs/dbraw/zinc/06/79/35/606067935.db2.gz AZYRXNXKMUDESI-ZDUSSCGKSA-N -2 0 356.325 1.987 20 0 FDADRL O=C([O-])N[C@H](CCC(=O)N[C@]1(C(=O)[O-])CCSC1)c1ccccc1 ZINC000834136079 606068913 /nfs/dbraw/zinc/06/89/13/606068913.db2.gz BZBRAQGYPWLHDM-MLGOLLRUSA-N -2 0 352.412 1.852 20 0 FDADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1F ZINC000273352836 674530227 /nfs/dbraw/zinc/53/02/27/674530227.db2.gz CJBVJOPADHXLGL-SNVBAGLBSA-N -2 0 369.374 1.791 20 0 FDADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C[C@H]1C(=O)[O-] ZINC000275188028 674614848 /nfs/dbraw/zinc/61/48/48/674614848.db2.gz XLQSQKAVUXNESK-HUUCEWRRSA-N -2 0 367.423 1.361 20 0 FDADRL CCOC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032586174 670867264 /nfs/dbraw/zinc/86/72/64/670867264.db2.gz WNWUNDVNBSVTFY-UHFFFAOYSA-N -2 0 373.206 1.148 20 0 FDADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000037387096 670880173 /nfs/dbraw/zinc/88/01/73/670880173.db2.gz NWNJDONWIKPZNC-SCSAIBSYSA-N -2 0 362.212 1.651 20 0 FDADRL CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000047313116 671030319 /nfs/dbraw/zinc/03/03/19/671030319.db2.gz BJIHFDMCXDPPKX-UHFFFAOYSA-N -2 0 373.383 1.728 20 0 FDADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000278650983 675167490 /nfs/dbraw/zinc/16/74/90/675167490.db2.gz JRUFUORJUJWVNC-ZCFIWIBFSA-N -3 0 371.198 1.375 20 0 FDADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1sccc1Br)C(=O)[O-] ZINC000048440708 671070674 /nfs/dbraw/zinc/07/06/74/671070674.db2.gz USRKNHCOCRFMQK-ZCFIWIBFSA-N -2 0 372.218 1.107 20 0 FDADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)C[C@H](C)OC)c(OC)c1OC ZINC000278701034 675182101 /nfs/dbraw/zinc/18/21/01/675182101.db2.gz RYWAMSRWBVDTTO-QMMMGPOBSA-N -2 0 363.388 1.187 20 0 FDADRL CC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000055665137 671238472 /nfs/dbraw/zinc/23/84/72/671238472.db2.gz NCOPRDWUJWDBGA-UHFFFAOYSA-N -2 0 368.798 1.872 20 0 FDADRL Cc1cc(F)cc(C)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 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C[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])C(F)(F)F ZINC000851704484 979007931 /nfs/dbraw/zinc/00/79/31/979007931.db2.gz XAMJEMLFEVRULK-DSYKOEDSSA-N -2 0 364.242 1.308 20 0 FDADRL C[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-])C(=O)[O-] ZINC001592683383 979111893 /nfs/dbraw/zinc/11/18/93/979111893.db2.gz YSRWSAAFSOIBKM-JTQLQIEISA-N -2 0 351.359 1.064 20 0 FDADRL C[C@@H](CNS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1)C(=O)[O-] ZINC001592716724 979217372 /nfs/dbraw/zinc/21/73/72/979217372.db2.gz WTMHKPUDCXHMIU-LURJTMIESA-N -2 0 366.189 1.146 20 0 FDADRL C[C@H](C[N-]S(=O)(=O)c1c(F)cc(Br)cc1F)C(=O)[O-] ZINC001592716741 979217627 /nfs/dbraw/zinc/21/76/27/979217627.db2.gz WZOGEHGAKZHXMP-RXMQYKEDSA-N -2 0 358.160 1.726 20 0 FDADRL CCC(CC)(CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-])C(=O)[O-] ZINC001595063321 979322498 /nfs/dbraw/zinc/32/24/98/979322498.db2.gz UATYTOMPAQQWJC-UHFFFAOYSA-N -2 0 354.334 1.470 20 0 FDADRL C[C@@H](CS(=O)(=O)NC[C@H](CC(=O)[O-])c1ccc(Cl)cc1)C(=O)[O-] ZINC001592807913 979478858 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370.427 1.131 20 0 FDADRL CC[C@H](Oc1ccccc1C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001595356740 980715211 /nfs/dbraw/zinc/71/52/11/980715211.db2.gz JSWSIGIWCOYONE-AVGNSLFASA-N -2 0 357.428 1.708 20 0 FDADRL CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595368275 980825191 /nfs/dbraw/zinc/82/51/91/980825191.db2.gz DJNKGCKYKLQZBJ-AWEZNQCLSA-N -2 0 363.338 1.681 20 0 FDADRL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001595368423 980826902 /nfs/dbraw/zinc/82/69/02/980826902.db2.gz IKOZWZJTKWYQDK-SBSDFTTDSA-N -2 0 353.396 1.660 20 0 FDADRL O=C([O-])c1ccnc(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000903505394 980964014 /nfs/dbraw/zinc/96/40/14/980964014.db2.gz DGMLQPOJHVSUTH-NXEZZACHSA-N -2 0 350.318 1.955 20 0 FDADRL CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001595409234 981006108 /nfs/dbraw/zinc/00/61/08/981006108.db2.gz ZIZPZLZEBJFNND-OCCSQVGLSA-N -2 0 355.412 1.536 20 0 FDADRL 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CC[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)C(=O)[O-] ZINC001603567902 973699949 /nfs/dbraw/zinc/69/99/49/973699949.db2.gz LXVDQGPQJJJNMX-QMMMGPOBSA-N -2 0 368.333 1.789 20 0 FDADRL O=C([O-])Cn1cccc(C(=O)Nc2c([O-])n[nH]c2-c2ccccc2)c1=O ZINC001606355573 973811491 /nfs/dbraw/zinc/81/14/91/973811491.db2.gz VAWWURIGWYFBBZ-UHFFFAOYSA-N -2 0 354.322 1.281 20 0 FDADRL CC(C)OCCO[N-]C(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001591726762 975692107 /nfs/dbraw/zinc/69/21/07/975692107.db2.gz MINSWEYNKGOTNS-UHFFFAOYSA-N -2 0 352.387 1.460 20 0 FDADRL COC(=O)c1cc(C)c(F)c(S(=O)(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000848678955 976995394 /nfs/dbraw/zinc/99/53/94/976995394.db2.gz JMGMMOCGXIKJGG-UHFFFAOYSA-N -2 0 359.375 1.454 20 0 FDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001592359721 977843332 /nfs/dbraw/zinc/84/33/32/977843332.db2.gz KLPIXLLGTIVISP-ZCFIWIBFSA-N -2 0 373.280 1.640 20 0 FDADRL C[C@@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001592370107 977880790 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ZINC001593680377 996108941 /nfs/dbraw/zinc/10/89/41/996108941.db2.gz XQUNQDLWHASXNT-SSDOTTSWSA-N -2 0 373.437 1.222 20 0 FDADRL C[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001593707558 996202075 /nfs/dbraw/zinc/20/20/75/996202075.db2.gz VSNKRVYWZBPNDC-NOZJJQNGSA-N -2 0 369.420 1.982 20 0 FDADRL C[C@@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001593736768 996329308 /nfs/dbraw/zinc/32/93/08/996329308.db2.gz AARULBMSJHQPKZ-QMMMGPOBSA-N -2 0 354.392 1.135 20 0 FDADRL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCOC1 ZINC001593755521 996403846 /nfs/dbraw/zinc/40/38/46/996403846.db2.gz SKUMVHVYASNDDD-CQSZACIVSA-N -2 0 363.338 1.285 20 0 FDADRL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c([O-])cccc2OC(F)(F)F)C1 ZINC001593797827 996516875 /nfs/dbraw/zinc/51/68/75/996516875.db2.gz HQHLHKIYXQCYKV-GFCCVEGCSA-N -2 0 369.317 1.776 20 0 FDADRL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC001598873716 996750741 /nfs/dbraw/zinc/75/07/41/996750741.db2.gz VKNIDMGCHBLHPC-UHFFFAOYSA-N -2 0 350.352 1.296 20 0 FDADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)NCC[C@@H](C)CC(=O)[O-])c1 ZINC001599279675 996873869 /nfs/dbraw/zinc/87/38/69/996873869.db2.gz NTOOYFYAIFSUCD-SNVBAGLBSA-N -2 0 359.400 1.310 20 0 FDADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC001599280201 996883795 /nfs/dbraw/zinc/88/37/95/996883795.db2.gz XFDZJILLNNPNGA-ZDUSSCGKSA-N -2 0 357.384 1.159 20 0 FDADRL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)nn1C ZINC001599293181 997095361 /nfs/dbraw/zinc/09/53/61/997095361.db2.gz MDKSHGHZEWNPJF-UHFFFAOYSA-N -2 0 365.411 1.943 20 0 FDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-] ZINC001599501403 997127862 /nfs/dbraw/zinc/12/78/62/997127862.db2.gz JLYUWFURKYWUCB-LBPRGKRZSA-N -2 0 355.368 1.021 20 0 FDADRL COC1(CC(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)CCC1 ZINC001599087687 997130153 /nfs/dbraw/zinc/13/01/53/997130153.db2.gz VOFPNRQFAQGVIF-UHFFFAOYSA-N -2 0 359.375 1.217 20 0 FDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2c(c1)COCC2 ZINC001599503422 997167602 /nfs/dbraw/zinc/16/76/02/997167602.db2.gz OIUBHWSRFUIOAT-UHFFFAOYSA-N -2 0 364.379 1.662 20 0 FDADRL COCc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC001599297880 997178207 /nfs/dbraw/zinc/17/82/07/997178207.db2.gz GLKMVFBHBXOSTH-UHFFFAOYSA-N -2 0 367.379 1.692 20 0 FDADRL CO[N-]C(=O)CNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001599321146 997584119 /nfs/dbraw/zinc/58/41/19/997584119.db2.gz SIUZFGPXYURMNX-UHFFFAOYSA-N -2 0 364.383 1.236 20 0 FDADRL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001599225209 997745443 /nfs/dbraw/zinc/74/54/43/997745443.db2.gz IWMRKCLWIHNNAV-SECBINFHSA-N -2 0 363.819 1.906 20 0 FDADRL COc1cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc(OC)c1Cl ZINC001599430257 997746918 /nfs/dbraw/zinc/74/69/18/997746918.db2.gz SHGXKMVENRHGGT-UHFFFAOYSA-N -2 0 360.750 1.208 20 0 FDADRL COc1c(NC(=O)N[C@@H](CCSC)c2nnn[n-]2)cccc1C(=O)[O-] ZINC001599339356 997895466 /nfs/dbraw/zinc/89/54/66/997895466.db2.gz NPNASTMCAVNBBP-JTQLQIEISA-N -2 0 366.403 1.522 20 0 FDADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)ccc1C(=O)[O-] ZINC001599444922 997991915 /nfs/dbraw/zinc/99/19/15/997991915.db2.gz MMUHMXVILCUCKN-UHFFFAOYSA-N -3 0 355.324 1.794 20 0 FDADRL Cc1cnn(C)c1[C@@H]1NC(=O)N(CCCCCC(=O)[O-])C(C)=C1C(=O)[O-] ZINC001594095322 998064923 /nfs/dbraw/zinc/06/49/23/998064923.db2.gz JSANGEZAGNBFMR-CQSZACIVSA-N -2 0 364.402 1.798 20 0 FDADRL COc1cc(S(=O)(=O)NCC2(CC(=O)[O-])CCC2)ccc1C(=O)[O-] ZINC001599458601 998231474 /nfs/dbraw/zinc/23/14/74/998231474.db2.gz LEVCOLAWOAQOQI-UHFFFAOYSA-N -2 0 357.384 1.317 20 0 FDADRL COc1cc(S(=O)(=O)[N-]c2cccnc2-n2cccn2)ccc1C(=O)[O-] ZINC001599459962 998254504 /nfs/dbraw/zinc/25/45/04/998254504.db2.gz QTDUKSLFZXZVAS-UHFFFAOYSA-N -2 0 374.378 1.775 20 0 FDADRL COc1cc(S(=O)(=O)N[C@@H](CC2CCC2)C(=O)[O-])ccc1C(=O)[O-] ZINC001599460831 998269892 /nfs/dbraw/zinc/26/98/92/998269892.db2.gz ZAPDAIODVYAYHF-LBPRGKRZSA-N -2 0 357.384 1.315 20 0 FDADRL COc1cc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)ccc1C(=O)[O-] ZINC001599461397 998279263 /nfs/dbraw/zinc/27/92/63/998279263.db2.gz SCHQOEZMYQCYRP-UHFFFAOYSA-N -2 0 355.372 1.875 20 0 FDADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599257152 998322196 /nfs/dbraw/zinc/32/21/96/998322196.db2.gz MUGNFYHYPLZBPF-UHFFFAOYSA-N -2 0 368.411 1.858 20 0 FDADRL COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)[C@H](C)C(=O)[O-])CC2 ZINC001599464591 998336500 /nfs/dbraw/zinc/33/65/00/998336500.db2.gz GSANKNAEWRXXRO-CABZTGNLSA-N -2 0 351.355 1.325 20 0 FDADRL COCCc1cc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])n(C)n1 ZINC001599265558 998463010 /nfs/dbraw/zinc/46/30/10/998463010.db2.gz NTNQWXAUYQPMMH-UHFFFAOYSA-N -2 0 359.429 1.478 20 0 FDADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)c1 ZINC001598976651 998606630 /nfs/dbraw/zinc/60/66/30/998606630.db2.gz BNQLTUPAYWRCEM-UHFFFAOYSA-N -2 0 371.758 1.416 20 0 FDADRL COC(=O)c1ccc(S(=O)(=O)C=C([O-])c2cccc(C(=O)[O-])c2)cc1 ZINC001598986829 998703296 /nfs/dbraw/zinc/70/32/96/998703296.db2.gz JCBGYBMAABMNTE-UHFFFAOYSA-N -2 0 362.359 1.828 20 0 FDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001594209667 998811603 /nfs/dbraw/zinc/81/16/03/998811603.db2.gz GISDLEXPUMELRS-SFYZADRCSA-N -2 0 370.308 1.171 20 0 FDADRL COC(=O)c1cncc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599011724 998904523 /nfs/dbraw/zinc/90/45/23/998904523.db2.gz YYORTLOTGRKDSI-UHFFFAOYSA-N -2 0 366.351 1.132 20 0 FDADRL COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC001599015806 998937192 /nfs/dbraw/zinc/93/71/92/998937192.db2.gz PIMJPTBSXGALDK-LBPRGKRZSA-N -2 0 368.770 1.003 20 0 FDADRL COC(=O)c1oc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1C ZINC001599019194 998964882 /nfs/dbraw/zinc/96/48/82/998964882.db2.gz DAXQPURHYBAOOU-UHFFFAOYSA-N -2 0 369.351 1.639 20 0 FDADRL CO[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C1CCCCC1 ZINC001599027529 999026717 /nfs/dbraw/zinc/02/67/17/999026717.db2.gz CKOAUIZVQIGXJZ-NSHDSACASA-N -2 0 361.441 1.847 20 0 FDADRL C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001594277483 999073691 /nfs/dbraw/zinc/07/36/91/999073691.db2.gz HENHPBYMWOEVRN-HUSDVWBVSA-N -2 0 350.415 1.486 20 0 FDADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001594295683 999138114 /nfs/dbraw/zinc/13/81/14/999138114.db2.gz JHSPGTCLFDCAKC-ZVBGUDQZSA-N -2 0 353.396 1.658 20 0 FDADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001594297168 999145837 /nfs/dbraw/zinc/14/58/37/999145837.db2.gz SLCQZGYDCLFREB-VXGBXAGGSA-N -2 0 371.411 1.414 20 0 FDADRL C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001594394585 999486392 /nfs/dbraw/zinc/48/63/92/999486392.db2.gz JWKPCTMUKVPYQF-GZMMTYOYSA-N -2 0 368.773 1.546 20 0 FDADRL CC(C)Oc1ccc(=NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)[n-]n1 ZINC000649542298 1011489857 /nfs/dbraw/zinc/48/98/57/1011489857.db2.gz BJWXCGXPKZPSOK-SFHVURJKSA-N -2 0 358.398 1.850 20 0 FDADRL CCc1ccccc1-n1cc([O-])c(C(=O)[N-]NC(=O)Cc2ccncc2)n1 ZINC000084407735 1011939128 /nfs/dbraw/zinc/93/91/28/1011939128.db2.gz OCOLETPQWZRVDW-UHFFFAOYSA-N -2 0 365.393 1.539 20 0 FDADRL Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC000650671323 1012544747 /nfs/dbraw/zinc/54/47/47/1012544747.db2.gz AOECILAWGJAGFI-VIFPVBQESA-N -2 0 361.803 1.832 20 0 FDADRL Cc1cccc2c(O)c(C(=O)Nc3ccc(-n4nn[n-]c4=O)cc3)cnc12 ZINC000507856651 538923442 /nfs/dbraw/zinc/92/34/42/538923442.db2.gz XCIVHTKTBOXDKR-UHFFFAOYSA-N -2 0 362.349 1.770 20 0 FDADRL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000514931547 539022566 /nfs/dbraw/zinc/02/25/66/539022566.db2.gz ZSEZYEOOKFQHQH-UHFFFAOYSA-N -2 0 353.356 1.014 20 0 FDADRL COCCCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)n1 ZINC000265264900 179325241 /nfs/dbraw/zinc/32/52/41/179325241.db2.gz KFJYORZBKNJMLX-UHFFFAOYSA-N -2 0 369.399 1.433 20 0 FDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCCOC)n1 ZINC000265310573 179337108 /nfs/dbraw/zinc/33/71/08/179337108.db2.gz XVPQUHWLDIIHCS-UHFFFAOYSA-N -2 0 367.427 1.981 20 0 FDADRL COCCn1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cn1 ZINC000268589264 180121483 /nfs/dbraw/zinc/12/14/83/180121483.db2.gz GXOOVBHPXPVEDI-UHFFFAOYSA-N -2 0 357.363 1.476 20 0 FDADRL O=C([N-]OCc1cccnc1)C1(C(=O)[N-]OCc2cccnc2)CCC1 ZINC000269580918 180334497 /nfs/dbraw/zinc/33/44/97/180334497.db2.gz GVZIQQRFYRMCQD-UHFFFAOYSA-N -2 0 356.382 1.443 20 0 FDADRL CCc1ccc([N-]S(=O)(=O)c2cnn(CCOC)c2)c(C(=O)[O-])c1 ZINC000269588282 180336088 /nfs/dbraw/zinc/33/60/88/180336088.db2.gz CUVZRWGWEXPYSF-UHFFFAOYSA-N -2 0 353.400 1.591 20 0 FDADRL Cc1ccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c(C(=O)[O-])c1 ZINC000269709736 180367982 /nfs/dbraw/zinc/36/79/82/180367982.db2.gz PVGFJHYCVHVMPB-NSHDSACASA-N -2 0 351.384 1.652 20 0 FDADRL CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC000274387410 181082252 /nfs/dbraw/zinc/08/22/52/181082252.db2.gz UPSYUEWOQCVWPW-JTQLQIEISA-N -2 0 357.384 1.269 20 0 FDADRL COc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1OC ZINC000530957605 540073716 /nfs/dbraw/zinc/07/37/16/540073716.db2.gz NUSANQKAQCUKPQ-UHFFFAOYSA-N -2 0 367.379 1.933 20 0 FDADRL CCC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000274979301 181210536 /nfs/dbraw/zinc/21/05/36/181210536.db2.gz DCUSNRSHRKCEPB-OLZOCXBDSA-N -2 0 369.395 1.075 20 0 FDADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)OCCO2 ZINC000275013248 181217519 /nfs/dbraw/zinc/21/75/19/181217519.db2.gz KIQPQMHCYNVUBZ-UHFFFAOYSA-N -2 0 368.367 1.684 20 0 FDADRL Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000275171979 181253489 /nfs/dbraw/zinc/25/34/89/181253489.db2.gz VMNHPALAILQOIS-GHMZBOCLSA-N -2 0 361.803 1.444 20 0 FDADRL Cn1cc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)cn1 ZINC000536490716 540602817 /nfs/dbraw/zinc/60/28/17/540602817.db2.gz GIASSXXHPLKYDQ-UHFFFAOYSA-N -2 0 360.189 1.682 20 0 FDADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000538092785 540808097 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ZINC001595357863 980726199 /nfs/dbraw/zinc/72/61/99/980726199.db2.gz RSBWLOONVPCKAI-UMNHJUIQSA-N -2 0 361.391 1.538 20 0 FDADRL CCC[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])[C@@H]1C(=O)[O-] ZINC001595623489 981722144 /nfs/dbraw/zinc/72/21/44/981722144.db2.gz QJYSKIQXNYHYSD-ZANVPECISA-N -2 0 359.375 1.788 20 0 FDADRL CC[C@](C)(CNS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-])C(=O)[O-] ZINC001594834441 982020477 /nfs/dbraw/zinc/02/04/77/982020477.db2.gz DLJHKRAVOBEEEL-OAHLLOKOSA-N -2 0 359.400 1.102 20 0 FDADRL CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001595785810 982572172 /nfs/dbraw/zinc/57/21/72/982572172.db2.gz HAJFAPXNLVZSKC-ZETCQYMHSA-N -2 0 352.459 1.568 20 0 FDADRL CC[C@@H](C)N(CC(=O)[O-])C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC001594974633 982745959 /nfs/dbraw/zinc/74/59/59/982745959.db2.gz JEJUUZUWVLSWSL-LLVKDONJSA-N -2 0 363.439 1.787 20 0 FDADRL CCCSC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)C(=O)[O-] ZINC001595988093 983242103 /nfs/dbraw/zinc/24/21/03/983242103.db2.gz 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CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833488645 605118793 /nfs/dbraw/zinc/11/87/93/605118793.db2.gz CTJLQAFCVUNXMS-SECBINFHSA-N -2 0 363.819 1.904 20 0 FDADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)cc1[N+](=O)[O-] ZINC000325479301 605166033 /nfs/dbraw/zinc/16/60/33/605166033.db2.gz HQHLWRPQNBEBPI-UHFFFAOYSA-N -2 0 353.312 1.497 20 0 FDADRL O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000831291180 605266975 /nfs/dbraw/zinc/26/69/75/605266975.db2.gz COXQUPCGJYDJFO-RYBZSIHZSA-N -2 0 358.803 1.552 20 0 FDADRL CC(C)COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000824276932 605273938 /nfs/dbraw/zinc/27/39/38/605273938.db2.gz QJEXRDYHMVHVLU-CQSZACIVSA-N -2 0 370.427 1.533 20 0 FDADRL COc1ccccc1/C(C)=C/C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000829591159 605276335 /nfs/dbraw/zinc/27/63/35/605276335.db2.gz BSISUOSRGMLIDG-ZKQHCESOSA-N -2 0 368.411 1.297 20 0 FDADRL Cn1c(Cl)c(Cl)cc1C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000830968198 605279054 /nfs/dbraw/zinc/27/90/54/605279054.db2.gz AUVVYBWBPMIZNU-LURJTMIESA-N -2 0 370.214 1.144 20 0 FDADRL O=C(C[C@@H]1CCOc2ccccc21)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000831348915 605284628 /nfs/dbraw/zinc/28/46/28/605284628.db2.gz ASHAXFIOHGRFIR-RYUDHWBXSA-N -2 0 368.411 1.141 20 0 FDADRL O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000831747320 605285036 /nfs/dbraw/zinc/28/50/36/605285036.db2.gz GSUUEDMJGMRSNF-VWYCJHECSA-N -2 0 374.365 1.267 20 0 FDADRL Cc1cc(S(=O)(=O)[N-]c2noc(CCNC(=O)[O-])n2)cc(C)c1F ZINC000833901100 605412508 /nfs/dbraw/zinc/41/25/08/605412508.db2.gz IZSKURUEBCYXOK-UHFFFAOYSA-N -2 0 358.351 1.436 20 0 FDADRL O=C([O-])NCCc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2F)no1 ZINC000834245004 605413984 /nfs/dbraw/zinc/41/39/84/605413984.db2.gz LNJYYVQWAYKDOX-UHFFFAOYSA-N -2 0 364.742 1.473 20 0 FDADRL O=C([O-])N1CCC[C@H]1CCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000833997658 605485760 /nfs/dbraw/zinc/48/57/60/605485760.db2.gz 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O=C([O-])N(CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C1CC1 ZINC000834002061 605984197 /nfs/dbraw/zinc/98/41/97/605984197.db2.gz UGEPGZDDBZGEOH-UHFFFAOYSA-N -2 0 367.305 1.048 20 0 FDADRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000834149937 606031584 /nfs/dbraw/zinc/03/15/84/606031584.db2.gz JVOIBXPCEJCXFR-MRXNPFEDSA-N -2 0 356.378 1.922 20 0 FDADRL C[C@H]1[C@H](C)N(C(=O)[O-])CCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000833831148 606039431 /nfs/dbraw/zinc/03/94/31/606039431.db2.gz YJINSZXKQOQJOK-QWRGUYRKSA-N -2 0 352.416 1.081 20 0 FDADRL C[C@@H]1[C@H](C)N(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCN1C(=O)[O-] ZINC000833831149 606039687 /nfs/dbraw/zinc/03/96/87/606039687.db2.gz YJINSZXKQOQJOK-WDEREUQCSA-N -2 0 352.416 1.081 20 0 FDADRL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000833986856 606049367 /nfs/dbraw/zinc/04/93/67/606049367.db2.gz DVMFIMMDNCQLPM-SWLSCSKDSA-N -2 0 359.382 1.812 20 0 FDADRL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000833986847 606049715 /nfs/dbraw/zinc/04/97/15/606049715.db2.gz DVMFIMMDNCQLPM-IUODEOHRSA-N -2 0 359.382 1.812 20 0 FDADRL O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000834060210 606051534 /nfs/dbraw/zinc/05/15/34/606051534.db2.gz OOHUSPDGOSJWHY-CQSZACIVSA-N -2 0 350.371 1.550 20 0 FDADRL C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833894809 606062983 /nfs/dbraw/zinc/06/29/83/606062983.db2.gz HNTHCKNVBAOGON-SNVBAGLBSA-N -2 0 363.370 1.218 20 0 FDADRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000834150342 606065244 /nfs/dbraw/zinc/06/52/44/606065244.db2.gz PECBISIBGZSHOB-CVEARBPZSA-N -2 0 356.378 1.850 20 0 FDADRL O=C([O-])[C@H](CNC(=O)C1CCN(C(=O)[O-])CC1)Oc1ccc(F)cc1 ZINC000834020551 606071196 /nfs/dbraw/zinc/07/11/96/606071196.db2.gz BVZHLDPQVWVDKT-ZDUSSCGKSA-N -2 0 354.334 1.164 20 0 FDADRL O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)[O-])Oc1ccc(F)cc1 ZINC000834057134 606071582 /nfs/dbraw/zinc/07/15/82/606071582.db2.gz AEESSHWIBYNGKH-QWHCGFSZSA-N -2 0 354.334 1.306 20 0 FDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])C1 ZINC000834167724 606072338 /nfs/dbraw/zinc/07/23/38/606072338.db2.gz DEIGWHXVJXEFKQ-IRUJWGPZSA-N -2 0 354.334 1.210 20 0 FDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2O)cs1 ZINC000823387281 606212559 /nfs/dbraw/zinc/21/25/59/606212559.db2.gz HLPISJCDILFJRC-UHFFFAOYSA-N -2 0 367.368 1.133 20 0 FDADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(F)F)c1-c1nnn[n-]1 ZINC000826303871 607982796 /nfs/dbraw/zinc/98/27/96/607982796.db2.gz JYDRKWWDIKCDHM-UHFFFAOYSA-N -2 0 369.357 1.647 20 0 FDADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)cc1 ZINC000273806875 674573222 /nfs/dbraw/zinc/57/32/22/674573222.db2.gz AWSUZUJMJFXLHE-UHFFFAOYSA-N -2 0 365.411 1.663 20 0 FDADRL CCCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000274972291 674599168 /nfs/dbraw/zinc/59/91/68/674599168.db2.gz CMMMAUBUMCUYJB-KGLIPLIRSA-N -2 0 355.412 1.435 20 0 FDADRL Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)n1 ZINC000037395262 670880295 /nfs/dbraw/zinc/88/02/95/670880295.db2.gz IIPZKZWMJKIHAQ-UHFFFAOYSA-N -2 0 360.189 1.682 20 0 FDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1cc(C)oc1C ZINC000055559276 671236505 /nfs/dbraw/zinc/23/65/05/671236505.db2.gz GQJIEGVQPBLJDQ-UHFFFAOYSA-N -2 0 366.395 1.780 20 0 FDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1ccccc1O ZINC000055556880 671236510 /nfs/dbraw/zinc/23/65/10/671236510.db2.gz XDHUFLOLZDLGIX-UHFFFAOYSA-N -2 0 364.379 1.276 20 0 FDADRL CCNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000066813761 671346700 /nfs/dbraw/zinc/34/67/00/671346700.db2.gz XKDRDYRCZAQPHU-UHFFFAOYSA-N -2 0 356.187 1.204 20 0 FDADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cnc1Cl ZINC000189511292 672310308 /nfs/dbraw/zinc/31/03/08/672310308.db2.gz CLYXHQDRVLDFRN-UHFFFAOYSA-N -2 0 366.790 1.113 20 0 FDADRL CCC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1nnn[n-]1 ZINC000267699643 673320842 /nfs/dbraw/zinc/32/08/42/673320842.db2.gz QBCNUPRBKRKUFX-SNVBAGLBSA-N -2 0 359.415 1.007 20 0 FDADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000281267739 675505916 /nfs/dbraw/zinc/50/59/16/675505916.db2.gz WWECIBOPGKSACN-UHFFFAOYSA-N -2 0 353.400 1.901 20 0 FDADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1C(N)=O ZINC000281779035 675558446 /nfs/dbraw/zinc/55/84/46/675558446.db2.gz HDBYHJHZTZPHOF-UHFFFAOYSA-N -2 0 365.411 1.332 20 0 FDADRL Cc1cc(F)cc(C)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000282035901 675589509 /nfs/dbraw/zinc/58/95/09/675589509.db2.gz RWFMUZWTSSWEHF-NWDGAFQWSA-N -2 0 359.375 1.239 20 0 FDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCCO)cc1 ZINC000284998675 675779328 /nfs/dbraw/zinc/77/93/28/675779328.db2.gz GUTQJAKKAWCORK-UHFFFAOYSA-N -2 0 355.368 1.848 20 0 FDADRL COCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cn1 ZINC000298832159 676498781 /nfs/dbraw/zinc/49/87/81/676498781.db2.gz ADROZJZBGSNJET-UHFFFAOYSA-N -2 0 355.372 1.043 20 0 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