smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1ccc(F)cc1N1CCOCC1)c1cccc(Cl)c1[O-] ZINC000414395024 450599234 /nfs/dbraw/zinc/59/92/34/450599234.db2.gz LJVIRVBCWINFEN-UHFFFAOYSA-N -2 3 386.832 2.822 20 0 GFADHL Cn1cc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c2ccc(F)cc21 ZINC000184694815 552342917 /nfs/dbraw/zinc/34/29/17/552342917.db2.gz JBOMCITUGSMNIT-UHFFFAOYSA-N -2 3 382.438 2.598 20 0 GFADHL COc1ccc(Br)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000316653166 563441547 /nfs/dbraw/zinc/44/15/47/563441547.db2.gz WBTOAECXIJBNSV-UHFFFAOYSA-N -2 3 390.211 2.858 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1nc(C)cs1 ZINC000325082430 563452889 /nfs/dbraw/zinc/45/28/89/563452889.db2.gz ZGIIXQBZNDKORR-QMMMGPOBSA-N -2 3 390.870 2.851 20 0 GFADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccccc1OC(F)F)C(F)(F)F ZINC000284910552 563494534 /nfs/dbraw/zinc/49/45/34/563494534.db2.gz BFMAKRFLTVYWJA-MRVPVSSYSA-N -2 3 391.314 2.610 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000388771304 563521150 /nfs/dbraw/zinc/52/11/50/563521150.db2.gz GGYYKTAWOHPDKD-GXTWGEPZSA-N -2 3 394.262 2.900 20 0 GFADHL CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000431597953 563564248 /nfs/dbraw/zinc/56/42/48/563564248.db2.gz ADAHEYGTFRVKKT-UHFFFAOYSA-N -2 3 380.507 2.548 20 0 GFADHL CC(C)SCC[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000286858896 563577656 /nfs/dbraw/zinc/57/76/56/563577656.db2.gz MRUOGAWMGZIRNM-UHFFFAOYSA-N -2 3 388.330 2.629 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000564919623 564257517 /nfs/dbraw/zinc/25/75/17/564257517.db2.gz VLYKNKUKCHZAFS-ZFWWWQNUSA-N -2 3 385.825 2.748 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000565407396 564279980 /nfs/dbraw/zinc/27/99/80/564279980.db2.gz ZXOFBEUGSSNSMA-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000566597479 564333243 /nfs/dbraw/zinc/33/32/43/564333243.db2.gz VANZRYGZKMAAGH-ZWNOBZJWSA-N -2 3 385.335 2.646 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000568746138 564433489 /nfs/dbraw/zinc/43/34/89/564433489.db2.gz MSCRMSXPFAGPNZ-JTQLQIEISA-N -2 3 385.488 2.970 20 0 GFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000569642728 564472303 /nfs/dbraw/zinc/47/23/03/564472303.db2.gz BVVILQSPTMVXDJ-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C)c1ccc(C)o1 ZINC000546958226 564475376 /nfs/dbraw/zinc/47/53/76/564475376.db2.gz OEAKRAQDLMLRGU-CYBMUJFWSA-N -2 3 387.841 2.914 20 0 GFADHL COCCOc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl ZINC000547546588 564492723 /nfs/dbraw/zinc/49/27/23/564492723.db2.gz GDKKAJLGTJGIOG-UHFFFAOYSA-N -2 3 385.825 2.864 20 0 GFADHL N#Cc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c(C(F)(F)F)c1 ZINC000547575340 564496643 /nfs/dbraw/zinc/49/66/43/564496643.db2.gz GKPSTJQUGWFSRA-UHFFFAOYSA-N -2 3 376.356 2.500 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1F ZINC000547610252 564502670 /nfs/dbraw/zinc/50/26/70/564502670.db2.gz HYWMTUIEBNHQOO-ZDUSSCGKSA-N -2 3 389.807 2.901 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])s1 ZINC000547638840 564504979 /nfs/dbraw/zinc/50/49/79/564504979.db2.gz GCCMAWDAPUUDON-SSDOTTSWSA-N -2 3 384.317 2.987 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000547938379 564523660 /nfs/dbraw/zinc/52/36/60/564523660.db2.gz UPTOXNPWCUABOY-LBPRGKRZSA-N -2 3 393.248 2.572 20 0 GFADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000547939313 564524261 /nfs/dbraw/zinc/52/42/61/564524261.db2.gz BXBLWHXEIHGSJW-ZDUSSCGKSA-N -2 3 375.780 2.592 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCC1 ZINC000547941259 564524483 /nfs/dbraw/zinc/52/44/83/564524483.db2.gz KMJZDKCVKBLFNJ-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1C(=O)[O-] ZINC000548220745 564538294 /nfs/dbraw/zinc/53/82/94/564538294.db2.gz JFWUPWPQYGKYJP-UHFFFAOYSA-N -2 3 375.233 2.874 20 0 GFADHL CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(Cl)cccc2Cl)nc1C ZINC000548261678 564544353 /nfs/dbraw/zinc/54/43/53/564544353.db2.gz JLOQHGLUBDPOEM-ZDUSSCGKSA-N -2 3 392.264 2.622 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)sc1Br ZINC000548267292 564546207 /nfs/dbraw/zinc/54/62/07/564546207.db2.gz AWHCHTVINNTYGE-SECBINFHSA-N -2 3 396.309 2.985 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])ccc1F ZINC000548525037 564555604 /nfs/dbraw/zinc/55/56/04/564555604.db2.gz KVOBWGACEQGWOM-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000548521638 564555770 /nfs/dbraw/zinc/55/57/70/564555770.db2.gz HVFTXTHHINWLAY-UHFFFAOYSA-N -2 3 383.809 2.767 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@](C)(OC)C1(C)C ZINC000518526277 564555834 /nfs/dbraw/zinc/55/58/34/564555834.db2.gz TVWHREWFGVPPRK-BLLLJJGKSA-N -2 3 391.873 2.529 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]C[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000548530122 564556170 /nfs/dbraw/zinc/55/61/70/564556170.db2.gz QUTGTRBEHXEWIA-NSHDSACASA-N -2 3 389.882 2.632 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCC1 ZINC000519448686 564577697 /nfs/dbraw/zinc/57/76/97/564577697.db2.gz DHUJZLXHEFNMOY-UHFFFAOYSA-N -2 3 385.335 2.648 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000572834921 564611749 /nfs/dbraw/zinc/61/17/49/564611749.db2.gz HWTAFIXNYVRMLO-UFBFGSQYSA-N -2 3 382.251 2.612 20 0 GFADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000485277058 564612066 /nfs/dbraw/zinc/61/20/66/564612066.db2.gz WKTUYOHMAUFCHH-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000576933275 564721249 /nfs/dbraw/zinc/72/12/49/564721249.db2.gz NAODHTAPXSUOEB-CQSZACIVSA-N -2 3 391.779 2.731 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)cc1Cl ZINC000554676882 564770375 /nfs/dbraw/zinc/77/03/75/564770375.db2.gz NMAACCONBFOLGT-CPFSXVBKSA-N -2 3 382.265 2.780 20 0 GFADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1(CC)CC ZINC000581427238 564802630 /nfs/dbraw/zinc/80/26/30/564802630.db2.gz JTDWOWPIGHOHEZ-QWHCGFSZSA-N -2 3 391.511 2.717 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000581545817 564807374 /nfs/dbraw/zinc/80/73/74/564807374.db2.gz COIZCLOLNLQCOR-JSGCOSHPSA-N -2 3 387.866 2.908 20 0 GFADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000555954952 564809751 /nfs/dbraw/zinc/80/97/51/564809751.db2.gz ICMJPPDZNXYIBY-NSHDSACASA-N -2 3 393.303 2.794 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CCc2ccc(OCC(=O)[O-])cc2)sc1Cl ZINC000530382640 564879675 /nfs/dbraw/zinc/87/96/75/564879675.db2.gz YYOLODAVTLOHQX-UHFFFAOYSA-N -2 3 389.882 2.694 20 0 GFADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000530472929 564883884 /nfs/dbraw/zinc/88/38/84/564883884.db2.gz ITDPDTJBRXXEBY-NSHDSACASA-N -2 3 380.235 2.510 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F)CC(=O)[O-] ZINC000584040581 564917961 /nfs/dbraw/zinc/91/79/61/564917961.db2.gz SAUAOXIFZDKMDJ-VIFPVBQESA-N -2 3 382.251 2.676 20 0 GFADHL O=C([O-])[C@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000559153590 564925032 /nfs/dbraw/zinc/92/50/32/564925032.db2.gz YDGAHCKTUYJCJK-LSDHHAIUSA-N -2 3 393.864 2.542 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000559797551 564940738 /nfs/dbraw/zinc/94/07/38/564940738.db2.gz JFJCTKVOCORORZ-LBPRGKRZSA-N -2 3 393.248 2.572 20 0 GFADHL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)OCO2 ZINC000560481780 564964773 /nfs/dbraw/zinc/96/47/73/564964773.db2.gz VIGWZLVMBXWMSX-VIFPVBQESA-N -2 3 377.365 2.681 20 0 GFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000535511755 565014604 /nfs/dbraw/zinc/01/46/04/565014604.db2.gz QMKHKUPRULGMMD-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000562230667 565021023 /nfs/dbraw/zinc/02/10/23/565021023.db2.gz JUWRXWYDFBVHSB-UHFFFAOYSA-N -2 3 383.809 2.555 20 0 GFADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(Br)c1O ZINC000504734145 565043639 /nfs/dbraw/zinc/04/36/39/565043639.db2.gz XDQCNPCFJKVTHO-GQCTYLIASA-N -2 3 395.209 2.765 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000563069980 565054858 /nfs/dbraw/zinc/05/48/58/565054858.db2.gz RJYTXMIPJPXWAN-BXUZGUMPSA-N -2 3 389.788 2.579 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)sc1Br ZINC000663255037 565403911 /nfs/dbraw/zinc/40/39/11/565403911.db2.gz PGYPEAXXEJZQNG-SECBINFHSA-N -2 3 382.301 2.598 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCC1 ZINC000663253621 565404437 /nfs/dbraw/zinc/40/44/37/565404437.db2.gz AKPKEFIZFGUCSG-JTQLQIEISA-N -2 3 396.690 2.882 20 0 GFADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)c[nH]1 ZINC000663294531 565409204 /nfs/dbraw/zinc/40/92/04/565409204.db2.gz TWIMFLOHIBEISP-GFCCVEGCSA-N -2 3 392.264 2.944 20 0 GFADHL CCn1cc(S(=O)(=O)[N-][C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)nc1C ZINC000646042187 565584936 /nfs/dbraw/zinc/58/49/36/565584936.db2.gz LDVNMPNAQTUZPY-MRXNPFEDSA-N -2 3 385.873 2.533 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)CC1CC1 ZINC000650430534 565819955 /nfs/dbraw/zinc/81/99/55/565819955.db2.gz QFXMVNNPNUMKER-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000650431344 565820924 /nfs/dbraw/zinc/82/09/24/565820924.db2.gz PGNVXMFQIGATKT-VIFPVBQESA-N -2 3 382.265 2.781 20 0 GFADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000630434055 565901618 /nfs/dbraw/zinc/90/16/18/565901618.db2.gz DHKZZFNFQYEFPX-CZMCAQCFSA-N -2 3 380.235 2.510 20 0 GFADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-])C1CC1 ZINC000656168186 566108638 /nfs/dbraw/zinc/10/86/38/566108638.db2.gz GCEDJKPJVYGUQM-NEPJUHHUSA-N -2 3 396.292 2.848 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cc(F)ccc1F ZINC000681566218 566112080 /nfs/dbraw/zinc/11/20/80/566112080.db2.gz AZMOQOHXMHLBAG-LBPRGKRZSA-N -2 3 379.743 2.862 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cc(F)ccc1F ZINC000681566508 566112234 /nfs/dbraw/zinc/11/22/34/566112234.db2.gz DXQLKSUVZONNHV-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)CC(=O)[O-] ZINC000656510925 566129905 /nfs/dbraw/zinc/12/99/05/566129905.db2.gz MFOANHCAWHGQJP-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735903971 598842567 /nfs/dbraw/zinc/84/25/67/598842567.db2.gz JQMXKJRHEAPRGO-UHFFFAOYSA-N -2 3 391.428 2.732 20 0 GFADHL CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735903971 598842569 /nfs/dbraw/zinc/84/25/69/598842569.db2.gz JQMXKJRHEAPRGO-UHFFFAOYSA-N -2 3 391.428 2.732 20 0 GFADHL O=S(=O)([N-]c1nc2cc(F)c(F)cc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738340170 598438698 /nfs/dbraw/zinc/43/86/98/598438698.db2.gz ULXKWKGGDZZDHT-UHFFFAOYSA-N -2 3 394.388 2.555 20 0 GFADHL O=S(=O)([N-]c1nc2cc(F)c(F)cc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738340170 598438699 /nfs/dbraw/zinc/43/86/99/598438699.db2.gz ULXKWKGGDZZDHT-UHFFFAOYSA-N -2 3 394.388 2.555 20 0 GFADHL O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738340138 598438745 /nfs/dbraw/zinc/43/87/45/598438745.db2.gz UCTACRPRRWINPD-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738340138 598438747 /nfs/dbraw/zinc/43/87/47/598438747.db2.gz UCTACRPRRWINPD-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ncccc1[O-] ZINC000738172431 598556837 /nfs/dbraw/zinc/55/68/37/598556837.db2.gz LLYMPCLXCUSXOE-UHFFFAOYSA-N -2 3 388.387 2.799 20 0 GFADHL O=S(=O)([N-]c1ccc(F)c(Br)c1)c1ccccc1-c1nn[n-]n1 ZINC000823589252 599307827 /nfs/dbraw/zinc/30/78/27/599307827.db2.gz VQOHEFPEPCIZHK-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000736331783 599617490 /nfs/dbraw/zinc/61/74/90/599617490.db2.gz KRXIEPVRDQHDRN-AWEZNQCLSA-N -2 3 399.476 2.564 20 0 GFADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000736331783 599617492 /nfs/dbraw/zinc/61/74/92/599617492.db2.gz KRXIEPVRDQHDRN-AWEZNQCLSA-N -2 3 399.476 2.564 20 0 GFADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCCCC1 ZINC000823285541 599623465 /nfs/dbraw/zinc/62/34/65/599623465.db2.gz WMKCAPYSFACTNG-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCCCC1 ZINC000823285541 599623466 /nfs/dbraw/zinc/62/34/66/599623466.db2.gz WMKCAPYSFACTNG-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(Br)c2)o1 ZINC000740174136 599778276 /nfs/dbraw/zinc/77/82/76/599778276.db2.gz UFBFAAZXPTXXCM-MNOVXSKESA-N -2 3 386.223 2.575 20 0 GFADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCCCCC(=O)[O-])cc1Cl ZINC000736158728 599796769 /nfs/dbraw/zinc/79/67/69/599796769.db2.gz WIOPEDFAOSKLRN-UHFFFAOYSA-N -2 3 394.852 2.751 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1 ZINC000738563307 599895577 /nfs/dbraw/zinc/89/55/77/599895577.db2.gz WGDOXLNXRMYCNS-CYBMUJFWSA-N -2 3 377.315 2.737 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c([O-])c1 ZINC000738515303 599984517 /nfs/dbraw/zinc/98/45/17/599984517.db2.gz UZHFCKZDZATXAN-KRWDZBQOSA-N -2 3 384.432 2.543 20 0 GFADHL O=C([O-])[C@@H](CNC(=O)c1cc2c(cc1[O-])OCO2)Cc1ccc2ccccc2c1 ZINC000739408023 600182319 /nfs/dbraw/zinc/18/23/19/600182319.db2.gz JOWIAUONVRBWHD-MRXNPFEDSA-N -2 3 393.395 2.947 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738654791 600301560 /nfs/dbraw/zinc/30/15/60/600301560.db2.gz HMSZUMNLWCJERX-UHFFFAOYSA-N -3 3 378.406 2.604 20 0 GFADHL C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000577370195 600348397 /nfs/dbraw/zinc/34/83/97/600348397.db2.gz YSQSZISLXIJTRP-VIFPVBQESA-N -2 3 377.340 2.906 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC000583002067 600777265 /nfs/dbraw/zinc/77/72/65/600777265.db2.gz WFIQOTVNWIWWMT-HNNXBMFYSA-N -2 3 388.470 2.957 20 0 GFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000262442941 600945955 /nfs/dbraw/zinc/94/59/55/600945955.db2.gz ICJIKPDUDUDEDK-VIFPVBQESA-N -2 3 382.251 2.613 20 0 GFADHL Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000521869627 600990341 /nfs/dbraw/zinc/99/03/41/600990341.db2.gz ITBMVMDBRPALGM-YOEHRIQHSA-N -2 3 379.434 2.732 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c1F ZINC000833294828 601229343 /nfs/dbraw/zinc/22/93/43/601229343.db2.gz XLQTYWGWOQANMX-UHFFFAOYSA-N -2 3 391.779 2.674 20 0 GFADHL Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832950567 601233258 /nfs/dbraw/zinc/23/32/58/601233258.db2.gz CXHITBRITPBGCX-NSHDSACASA-N -2 3 385.388 2.717 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1C ZINC000005093129 601317720 /nfs/dbraw/zinc/31/77/20/601317720.db2.gz OTDFRHBNFBTLNK-UHFFFAOYSA-N -2 3 390.461 2.639 20 0 GFADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(F)c1 ZINC000831434769 601330264 /nfs/dbraw/zinc/33/02/64/601330264.db2.gz BYBCNJARNHMRGM-RUDMXATFSA-N -2 3 379.365 2.511 20 0 GFADHL COC(=O)c1cc(C)nc2nc(SCc3cc(C)c(C(=O)[O-])o3)[n-]c(=O)c21 ZINC000831248688 601406561 /nfs/dbraw/zinc/40/65/61/601406561.db2.gz PJPHSPHYXPQDKF-UHFFFAOYSA-N -2 3 389.389 2.717 20 0 GFADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000026238195 601826820 /nfs/dbraw/zinc/82/68/20/601826820.db2.gz NYMAPHNOTWVOQK-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1OC ZINC000730437702 601829711 /nfs/dbraw/zinc/82/97/11/601829711.db2.gz QRAWLMWVDXPDIH-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000466256440 601862335 /nfs/dbraw/zinc/86/23/35/601862335.db2.gz OBUAVGYHRCYOHN-UHFFFAOYSA-N -3 3 377.418 2.856 20 0 GFADHL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825615582 607534026 /nfs/dbraw/zinc/53/40/26/607534026.db2.gz BLHYNLHZIKBHEQ-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825615582 607534027 /nfs/dbraw/zinc/53/40/27/607534027.db2.gz BLHYNLHZIKBHEQ-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1-c1nnn[n-]1 ZINC000826303755 607536147 /nfs/dbraw/zinc/53/61/47/607536147.db2.gz CZRXFDZKTJJOIA-UHFFFAOYSA-N -2 3 385.449 2.765 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1-c1nn[n-]n1 ZINC000826303755 607536149 /nfs/dbraw/zinc/53/61/49/607536149.db2.gz CZRXFDZKTJJOIA-UHFFFAOYSA-N -2 3 385.449 2.765 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)CC(=O)[O-])cc2)cc1 ZINC000832955865 602064991 /nfs/dbraw/zinc/06/49/91/602064991.db2.gz OZVYVIYGENPUQZ-CYBMUJFWSA-N -2 3 376.434 2.845 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1F ZINC000832010731 602122711 /nfs/dbraw/zinc/12/27/11/602122711.db2.gz MTDVNBURYYINMI-UHFFFAOYSA-N -2 3 378.740 2.521 20 0 GFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@@H]1C ZINC000055313094 602140178 /nfs/dbraw/zinc/14/01/78/602140178.db2.gz UMQZLXVOSLKKNR-IWSPIJDZSA-N -2 3 380.260 2.843 20 0 GFADHL Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)s1 ZINC000055329862 602145253 /nfs/dbraw/zinc/14/52/53/602145253.db2.gz AZBICXDWSLAKNQ-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1noc(-c2ccccc2)n1 ZINC000827768440 602172577 /nfs/dbraw/zinc/17/25/77/602172577.db2.gz RDKPJCOQXHJMCP-VIFPVBQESA-N -2 3 379.419 2.536 20 0 GFADHL COCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000739836531 602245559 /nfs/dbraw/zinc/24/55/59/602245559.db2.gz GBAGUTMSWDJYKF-UHFFFAOYSA-N -2 3 376.434 2.717 20 0 GFADHL Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000755255505 602304413 /nfs/dbraw/zinc/30/44/13/602304413.db2.gz FHEAHBZYLLHUOK-UHFFFAOYSA-N -2 3 377.205 2.901 20 0 GFADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC000826980157 602360419 /nfs/dbraw/zinc/36/04/19/602360419.db2.gz CLJNECKYLQHLGN-UHFFFAOYSA-N -2 3 398.387 2.602 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)[O-])CC3)cc1 ZINC000739503356 602490472 /nfs/dbraw/zinc/49/04/72/602490472.db2.gz GQWSRXBKRONIDQ-UHFFFAOYSA-N -2 3 376.434 2.922 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)[O-])CC3)cc1C ZINC000739934278 602491050 /nfs/dbraw/zinc/49/10/50/602491050.db2.gz ZLDPEDILSWHCJZ-UHFFFAOYSA-N -2 3 376.434 2.841 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@H]3CCC[C@H]3CNC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000830685900 603284766 /nfs/dbraw/zinc/28/47/66/603284766.db2.gz LAIIHUJGHRWEHZ-ZFWWWQNUSA-N -2 3 385.424 2.715 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)ccc1C ZINC000828761618 603544373 /nfs/dbraw/zinc/54/43/73/603544373.db2.gz XUAONVCDZLGLTE-UHFFFAOYSA-N -2 3 382.369 2.811 20 0 GFADHL O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2)n[nH]1 ZINC000832730217 603913215 /nfs/dbraw/zinc/91/32/15/603913215.db2.gz OFBWXMRZVZHCSG-UHFFFAOYSA-N -2 3 387.783 2.851 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@](C)(CNC(=O)[O-])C(C)C)cc2)cc(=O)[n-]1 ZINC000830686422 604634913 /nfs/dbraw/zinc/63/49/13/604634913.db2.gz OTVTXLAYBBDFNL-LJQANCHMSA-N -2 3 387.440 2.961 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC23CCC(CC2)C3)c(Br)o1 ZINC000833780579 604638269 /nfs/dbraw/zinc/63/82/69/604638269.db2.gz WEWLCVSKMYAGLS-UHFFFAOYSA-N -2 3 378.244 2.599 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c([O-])c1 ZINC000832911802 604708743 /nfs/dbraw/zinc/70/87/43/604708743.db2.gz OLPHFJZKKMPPLL-IBGZPJMESA-N -2 3 398.459 2.789 20 0 GFADHL C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC000833631637 604744771 /nfs/dbraw/zinc/74/47/71/604744771.db2.gz MNAWPDQKKVFWPP-LBPRGKRZSA-N -2 3 394.424 2.550 20 0 GFADHL C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000825324466 604772349 /nfs/dbraw/zinc/77/23/49/604772349.db2.gz ASXYNLMSJNZICL-UGSOOPFHSA-N -2 3 386.404 2.682 20 0 GFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1C(=O)[O-] ZINC000833749709 604943901 /nfs/dbraw/zinc/94/39/01/604943901.db2.gz SMGUBQNEQXCDJJ-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000822645948 606294598 /nfs/dbraw/zinc/29/45/98/606294598.db2.gz XZUFKWRTGWAOCT-UHFFFAOYSA-N -2 3 397.620 2.579 20 0 GFADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000822645948 606294599 /nfs/dbraw/zinc/29/45/99/606294599.db2.gz XZUFKWRTGWAOCT-UHFFFAOYSA-N -2 3 397.620 2.579 20 0 GFADHL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000822153626 606331627 /nfs/dbraw/zinc/33/16/27/606331627.db2.gz NTKJKCDHPYRHIV-UHFFFAOYSA-N -2 3 395.391 2.886 20 0 GFADHL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000822153626 606331629 /nfs/dbraw/zinc/33/16/29/606331629.db2.gz NTKJKCDHPYRHIV-UHFFFAOYSA-N -2 3 395.391 2.886 20 0 GFADHL O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823556820 606338278 /nfs/dbraw/zinc/33/82/78/606338278.db2.gz AHVIMLWVCGUNSV-FPLPWBNLSA-N -2 3 377.813 2.638 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)c1O ZINC000822328923 606655869 /nfs/dbraw/zinc/65/58/69/606655869.db2.gz VLTINZPINGYEHV-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1O ZINC000822328923 606655870 /nfs/dbraw/zinc/65/58/70/606655870.db2.gz VLTINZPINGYEHV-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL COCC[C@H](C)Sc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC000821685660 606704862 /nfs/dbraw/zinc/70/48/62/606704862.db2.gz LWRHWLJWKNXGNK-JTQLQIEISA-N -2 3 388.453 2.555 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821043214 606745823 /nfs/dbraw/zinc/74/58/23/606745823.db2.gz NCVZLJANGJVTAI-OAHLLOKOSA-N -2 3 379.486 2.524 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821043214 606745825 /nfs/dbraw/zinc/74/58/25/606745825.db2.gz NCVZLJANGJVTAI-OAHLLOKOSA-N -2 3 379.486 2.524 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000821418114 606820436 /nfs/dbraw/zinc/82/04/36/606820436.db2.gz WIBUYKGRZXVYLW-UHFFFAOYSA-N -2 3 395.391 2.653 20 0 GFADHL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822436418 607156180 /nfs/dbraw/zinc/15/61/80/607156180.db2.gz LTLAONOIMHNIAN-UHFFFAOYSA-N -2 3 396.473 2.770 20 0 GFADHL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822436418 607156181 /nfs/dbraw/zinc/15/61/81/607156181.db2.gz LTLAONOIMHNIAN-UHFFFAOYSA-N -2 3 396.473 2.770 20 0 GFADHL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1C(C)C ZINC000824284863 608266322 /nfs/dbraw/zinc/26/63/22/608266322.db2.gz PLYLZSMGRPYUFP-UHFFFAOYSA-N -2 3 389.485 2.643 20 0 GFADHL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1C(C)C ZINC000824284863 608266323 /nfs/dbraw/zinc/26/63/23/608266323.db2.gz PLYLZSMGRPYUFP-UHFFFAOYSA-N -2 3 389.485 2.643 20 0 GFADHL O=S(=O)([N-]c1scnc1C1CC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493682 609531407 /nfs/dbraw/zinc/53/14/07/609531407.db2.gz XGXNVNAUGKAFLZ-UHFFFAOYSA-N -2 3 382.858 2.655 20 0 GFADHL O=S(=O)([N-]c1scnc1C1CC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493682 609531408 /nfs/dbraw/zinc/53/14/08/609531408.db2.gz XGXNVNAUGKAFLZ-UHFFFAOYSA-N -2 3 382.858 2.655 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[N-]OCc1ccccc1 ZINC000823747827 660379261 /nfs/dbraw/zinc/37/92/61/660379261.db2.gz LRLOZWJRFDKJGD-UHFFFAOYSA-N -2 3 389.260 2.520 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c1Br ZINC000826303799 660452414 /nfs/dbraw/zinc/45/24/14/660452414.db2.gz GCDILIMFPIFTRG-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL CSc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057115918 654800663 /nfs/dbraw/zinc/80/06/63/654800663.db2.gz TUNNQNMQCIUGCS-UHFFFAOYSA-N -2 3 390.483 2.720 20 0 GFADHL Cc1nc(CCC[N-]S(=O)(=O)c2ccc(Cl)s2)sc1C(=O)[O-] ZINC000275263323 655225727 /nfs/dbraw/zinc/22/57/27/655225727.db2.gz MMYXIYAPXCTFFK-UHFFFAOYSA-N -2 3 380.900 2.776 20 0 GFADHL CSc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)s1 ZINC000275642793 655245150 /nfs/dbraw/zinc/24/51/50/655245150.db2.gz OPEHZXPDLUBQDW-UHFFFAOYSA-N -2 3 387.508 2.560 20 0 GFADHL C[C@H](CCC[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000276990802 655296933 /nfs/dbraw/zinc/29/69/33/655296933.db2.gz ZZPUPJWQGAKYSO-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])c(F)cc1Br ZINC000574257932 655427506 /nfs/dbraw/zinc/42/75/06/655427506.db2.gz GXABAJITLSMJPN-QMMMGPOBSA-N -2 3 382.251 2.676 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000577712374 655465370 /nfs/dbraw/zinc/46/53/70/655465370.db2.gz ZUJLSRZETRRIER-LBPRGKRZSA-N -2 3 384.679 2.882 20 0 GFADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000840891431 661199939 /nfs/dbraw/zinc/19/99/39/661199939.db2.gz SUFFWGLEQQORBB-UHFFFAOYSA-N -2 3 376.793 2.515 20 0 GFADHL COc1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cnc1Cl ZINC000776443526 656742120 /nfs/dbraw/zinc/74/21/20/656742120.db2.gz RNZXPEHYSPBFOY-UHFFFAOYSA-N -2 3 377.205 2.896 20 0 GFADHL C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000794841613 658623457 /nfs/dbraw/zinc/62/34/57/658623457.db2.gz UWICODBZHNWJKK-IUCAKERBSA-N -2 3 382.265 2.643 20 0 GFADHL COC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCC(C)CC1 ZINC000794918311 658636302 /nfs/dbraw/zinc/63/63/02/658636302.db2.gz RXCJMBCVMCXKNU-UHFFFAOYSA-N -2 3 377.409 2.537 20 0 GFADHL C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000798357239 659097002 /nfs/dbraw/zinc/09/70/02/659097002.db2.gz GXTMROCNOPATCG-JGVFFNPUSA-N -2 3 382.301 2.923 20 0 GFADHL C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000809151387 659918525 /nfs/dbraw/zinc/91/85/25/659918525.db2.gz XUYDHHFKDVNPLC-AYVTZFPOSA-N -2 3 385.800 2.978 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CCOCC1 ZINC000844897093 661447114 /nfs/dbraw/zinc/44/71/14/661447114.db2.gz LGLKSCPMENRGRM-MRVPVSSYSA-N -2 3 382.265 2.785 20 0 GFADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)c1nccs1 ZINC000871885033 662739555 /nfs/dbraw/zinc/73/95/55/662739555.db2.gz CYBGBIHJFAXAAE-CQSZACIVSA-N -2 3 376.406 2.723 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F)C(F)(F)F ZINC000871962633 662747010 /nfs/dbraw/zinc/74/70/10/662747010.db2.gz FMYYRGZELJNHST-RXMQYKEDSA-N -2 3 381.250 2.513 20 0 GFADHL O=C([O-])[C@@H]1CC=C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000906000407 663906791 /nfs/dbraw/zinc/90/67/91/663906791.db2.gz KHBAUDXLAGUMES-RKDXNWHRSA-N -2 3 394.674 2.800 20 0 GFADHL CCCCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000030570197 551127934 /nfs/dbraw/zinc/12/79/34/551127934.db2.gz PGQCHIYASUZUQS-UHFFFAOYSA-N -2 3 386.499 2.803 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c(Cl)cc1F ZINC000164216374 551624759 /nfs/dbraw/zinc/62/47/59/551624759.db2.gz HUWIEIKGVKRHIX-UHFFFAOYSA-N -2 3 381.820 2.692 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c(Cl)cc1F ZINC000164216374 551624760 /nfs/dbraw/zinc/62/47/60/551624760.db2.gz HUWIEIKGVKRHIX-UHFFFAOYSA-N -2 3 381.820 2.692 20 0 GFADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)cc1Cl ZINC000184867962 552346414 /nfs/dbraw/zinc/34/64/14/552346414.db2.gz KFYUMUMIQLRWTG-UHFFFAOYSA-N -2 3 395.897 2.967 20 0 GFADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1Cl ZINC000184867962 552346417 /nfs/dbraw/zinc/34/64/17/552346417.db2.gz KFYUMUMIQLRWTG-UHFFFAOYSA-N -2 3 395.897 2.967 20 0 GFADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000421148010 563297785 /nfs/dbraw/zinc/29/77/85/563297785.db2.gz GKHNVARJLPPFLC-LLVKDONJSA-N -2 3 394.287 2.950 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000297211203 563319301 /nfs/dbraw/zinc/31/93/01/563319301.db2.gz NJQIFMRKNRPCHT-LBPRGKRZSA-N -2 3 393.889 2.535 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccc(Br)c(F)c1 ZINC000391550446 563525134 /nfs/dbraw/zinc/52/51/34/563525134.db2.gz SJRVXUAKJSFVII-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(Br)c(F)c1 ZINC000391550446 563525136 /nfs/dbraw/zinc/52/51/36/563525136.db2.gz SJRVXUAKJSFVII-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000392453532 563527047 /nfs/dbraw/zinc/52/70/47/563527047.db2.gz FHMZOFYYNDZWOY-ZJUUUORDSA-N -2 3 378.834 2.806 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000399478339 563533766 /nfs/dbraw/zinc/53/37/66/563533766.db2.gz WTZLVLLNJOQOKY-QPUJVOFHSA-N -2 3 382.251 2.612 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)nc2)c1 ZINC000539398293 564218580 /nfs/dbraw/zinc/21/85/80/564218580.db2.gz WBNHIEKACCFLRB-UHFFFAOYSA-N -2 3 378.328 2.538 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2ccccc2C(F)(F)F)c1 ZINC000507296874 564225200 /nfs/dbraw/zinc/22/52/00/564225200.db2.gz XBZPKSPZHHADJB-UHFFFAOYSA-N -2 3 379.381 2.986 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)c1 ZINC000540496859 564249805 /nfs/dbraw/zinc/24/98/05/564249805.db2.gz QISRKSWTCDGWDN-UHFFFAOYSA-N -2 3 384.841 2.557 20 0 GFADHL COc1nn(C)cc1[N-]C(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000474654885 564285194 /nfs/dbraw/zinc/28/51/94/564285194.db2.gz ADBYWYVDTBVJAR-UHFFFAOYSA-N -2 3 376.467 2.638 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@@H](C)C(C)C)c(F)c1 ZINC000451233537 564289422 /nfs/dbraw/zinc/28/94/22/564289422.db2.gz YRDYIZKJYRXNFG-GFCCVEGCSA-N -2 3 380.507 2.548 20 0 GFADHL Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451286086 564295616 /nfs/dbraw/zinc/29/56/16/564295616.db2.gz MQILHIIVIXPGLZ-JTQLQIEISA-N -2 3 381.397 2.793 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])c(Cl)c1Cl ZINC000566678375 564338353 /nfs/dbraw/zinc/33/83/53/564338353.db2.gz AMZPBRIORGMHSJ-DTWKUNHWSA-N -2 3 382.265 2.924 20 0 GFADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000543164891 564340802 /nfs/dbraw/zinc/34/08/02/564340802.db2.gz BIWNLPKCFSKHKQ-UHFFFAOYSA-N -2 3 375.324 2.969 20 0 GFADHL C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000567102498 564357340 /nfs/dbraw/zinc/35/73/40/564357340.db2.gz HQHRRWFWMZMPNY-MWLCHTKSSA-N -2 3 393.237 2.616 20 0 GFADHL COC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C)c1ccc(C)o1 ZINC000546958240 564475161 /nfs/dbraw/zinc/47/51/61/564475161.db2.gz OEAKRAQDLMLRGU-ZDUSSCGKSA-N -2 3 387.841 2.914 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(F)(F)F ZINC000570157955 564492972 /nfs/dbraw/zinc/49/29/72/564492972.db2.gz HODQZCLNNRBJET-GFCCVEGCSA-N -2 3 383.388 2.795 20 0 GFADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)(CC(=O)[O-])C1 ZINC000547571315 564495816 /nfs/dbraw/zinc/49/58/16/564495816.db2.gz UVXAOCZGYYUNGN-QMTHXVAHSA-N -2 3 380.388 2.660 20 0 GFADHL Cc1cc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])ccc1Cl ZINC000547577755 564497064 /nfs/dbraw/zinc/49/70/64/564497064.db2.gz ZOOWXUHSNYQLLF-GFCCVEGCSA-N -2 3 390.826 2.722 20 0 GFADHL Cc1sc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000547594201 564500335 /nfs/dbraw/zinc/50/03/35/564500335.db2.gz MJSRPXZAIQKNJM-NSHDSACASA-N -2 3 388.398 2.598 20 0 GFADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000547869466 564514402 /nfs/dbraw/zinc/51/44/02/564514402.db2.gz AVKYVEAKXTYHMO-CABZTGNLSA-N -2 3 375.830 2.512 20 0 GFADHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000547890930 564516901 /nfs/dbraw/zinc/51/69/01/564516901.db2.gz SIRGTMKJELKCNN-LLVKDONJSA-N -2 3 397.758 2.926 20 0 GFADHL CCn1cnc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000547906857 564519323 /nfs/dbraw/zinc/51/93/23/564519323.db2.gz RUHHHPQJKKHARG-GFCCVEGCSA-N -2 3 392.264 2.704 20 0 GFADHL CCCSC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000547910972 564519773 /nfs/dbraw/zinc/51/97/73/564519773.db2.gz ZZCDHWJNEBAQGI-GFCCVEGCSA-N -2 3 386.520 2.685 20 0 GFADHL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)CCCC(C)(C)C)c1 ZINC000570850641 564524590 /nfs/dbraw/zinc/52/45/90/564524590.db2.gz XPEINBDVJHWAGF-UHFFFAOYSA-N -2 3 391.511 2.746 20 0 GFADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000548198509 564536066 /nfs/dbraw/zinc/53/60/66/564536066.db2.gz PVTMDBRDRVMJNQ-UHFFFAOYSA-N -2 3 382.825 2.541 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)s1 ZINC000548204862 564536921 /nfs/dbraw/zinc/53/69/21/564536921.db2.gz SPJHUCXSGUSMET-MGCOHNPYSA-N -2 3 396.328 2.988 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000571204847 564541237 /nfs/dbraw/zinc/54/12/37/564541237.db2.gz ZXONBBXPYUGUOO-DGCLKSJQSA-N -2 3 391.873 2.529 20 0 GFADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000548269368 564546262 /nfs/dbraw/zinc/54/62/62/564546262.db2.gz XZHCJIOJLWXRJX-UHFFFAOYSA-N -2 3 391.630 2.997 20 0 GFADHL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000548525617 564555515 /nfs/dbraw/zinc/55/55/15/564555515.db2.gz HWSKCFSTAWGJCE-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1 ZINC000548534499 564556071 /nfs/dbraw/zinc/55/60/71/564556071.db2.gz VEICYTQWUPKCKQ-UHFFFAOYSA-N -2 3 387.841 2.554 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)Cc1cccc(Cl)c1 ZINC000548538773 564557380 /nfs/dbraw/zinc/55/73/80/564557380.db2.gz LRSBTCDJWXWGRF-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000548543047 564558275 /nfs/dbraw/zinc/55/82/75/564558275.db2.gz NWHUHOTYIOXFFP-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL CS(=O)(=O)c1nc([N-]C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)n[n-]1 ZINC000483130321 564558456 /nfs/dbraw/zinc/55/84/56/564558456.db2.gz WKAMIOVNUOEHFK-UHFFFAOYSA-N -2 3 398.853 2.858 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCOCC2)c1Cl ZINC000548593529 564565529 /nfs/dbraw/zinc/56/55/29/564565529.db2.gz DTJDAYMHVMQEEJ-GFCCVEGCSA-N -2 3 396.292 2.850 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000485037207 564605083 /nfs/dbraw/zinc/60/50/83/564605083.db2.gz VOGJXWQQILYEBS-LBPRGKRZSA-N -2 3 391.873 2.684 20 0 GFADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-])C1CC1 ZINC000573545547 564643448 /nfs/dbraw/zinc/64/34/48/564643448.db2.gz RSWHNEOFAJQVMF-KRTXAFLBSA-N -2 3 396.690 2.880 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000486760417 564665651 /nfs/dbraw/zinc/66/56/51/564665651.db2.gz QOLKJQOVQAPQSN-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000486760417 564665652 /nfs/dbraw/zinc/66/56/52/564665652.db2.gz QOLKJQOVQAPQSN-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000574041470 564666203 /nfs/dbraw/zinc/66/62/03/564666203.db2.gz RYEKLUAMGDXQGB-PWSUYJOCSA-N -2 3 391.287 2.546 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c(Cl)cc1F ZINC000551911947 564668014 /nfs/dbraw/zinc/66/80/14/564668014.db2.gz CNBWEHIBWPTQDI-ZETCQYMHSA-N -2 3 377.743 2.719 20 0 GFADHL CCOC[C@@H](C)CS(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000574748604 564687458 /nfs/dbraw/zinc/68/74/58/564687458.db2.gz GYMHAXQTOIHSNK-CYBMUJFWSA-N -2 3 375.512 2.976 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)Oc1ccccc1 ZINC000576276788 564710949 /nfs/dbraw/zinc/71/09/49/564710949.db2.gz SEXFMVUDGMCIJB-JTQLQIEISA-N -2 3 395.380 2.577 20 0 GFADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000526951284 564723783 /nfs/dbraw/zinc/72/37/83/564723783.db2.gz BJQIXIUWDPKTOS-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000527053103 564728006 /nfs/dbraw/zinc/72/80/06/564728006.db2.gz HVQISPLOAIVBRX-RYUDHWBXSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C1CCC1 ZINC000554433791 564761542 /nfs/dbraw/zinc/76/15/42/564761542.db2.gz UQINRNIEFKTCIB-CQSZACIVSA-N -2 3 399.266 2.529 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000580559539 564764268 /nfs/dbraw/zinc/76/42/68/564764268.db2.gz LMCNOAKATQJQBQ-UHFFFAOYSA-N -2 3 385.825 2.615 20 0 GFADHL COc1ccc(OCCS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000460826100 564781185 /nfs/dbraw/zinc/78/11/85/564781185.db2.gz CMXKUBKBVSPUFG-UHFFFAOYSA-N -2 3 385.825 2.868 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1OC ZINC000462065227 564814471 /nfs/dbraw/zinc/81/44/71/564814471.db2.gz ANRXPQNZBONEHW-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000582521642 564849884 /nfs/dbraw/zinc/84/98/84/564849884.db2.gz UBGMAPSJOLSTGN-IINYFYTJSA-N -2 3 380.388 2.660 20 0 GFADHL CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000583022105 564872742 /nfs/dbraw/zinc/87/27/42/564872742.db2.gz UUNFTCWNYXVDAH-PRHODGIISA-N -2 3 390.870 2.549 20 0 GFADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000530472568 564883366 /nfs/dbraw/zinc/88/33/66/564883366.db2.gz IOLVNAXVKKJCBD-NSHDSACASA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])[C@@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000559152526 564924658 /nfs/dbraw/zinc/92/46/58/564924658.db2.gz NZUCUWLMBCOEGN-ZFWWWQNUSA-N -2 3 393.864 2.542 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000559797550 564940660 /nfs/dbraw/zinc/94/06/60/564940660.db2.gz JFJCTKVOCORORZ-GFCCVEGCSA-N -2 3 393.248 2.572 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000560078369 564948807 /nfs/dbraw/zinc/94/88/07/564948807.db2.gz NQZUPHPAFVAYSV-INIZCTEOSA-N -2 3 376.459 2.963 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)F)c2)oc1C(=O)[O-] ZINC000663420098 565419091 /nfs/dbraw/zinc/41/90/91/565419091.db2.gz DLONYTNFRVWJJQ-VIFPVBQESA-N -2 3 375.349 2.927 20 0 GFADHL Cc1c(Cl)cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl ZINC000597681711 565569763 /nfs/dbraw/zinc/56/97/63/565569763.db2.gz BASLXFFMPXFJEL-UHFFFAOYSA-N -2 3 385.228 2.986 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000646027048 565582738 /nfs/dbraw/zinc/58/27/38/565582738.db2.gz ZWWRIWSVIFWEIM-LBPRGKRZSA-N -2 3 387.504 2.973 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CC[C@@H]2CSc3ccccc3O2)cc1C(=O)[O-] ZINC000646058101 565585170 /nfs/dbraw/zinc/58/51/70/565585170.db2.gz ZHZVHTPQXSPOBI-LLVKDONJSA-N -2 3 383.447 2.508 20 0 GFADHL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cc(Br)ccc2[O-])cc1 ZINC000647923811 565683267 /nfs/dbraw/zinc/68/32/67/565683267.db2.gz RVYUIEKRCXMDPD-UHFFFAOYSA-N -3 3 386.223 2.795 20 0 GFADHL CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC000629301064 565839496 /nfs/dbraw/zinc/83/94/96/565839496.db2.gz XYIGEQPTOGQLMX-GFCCVEGCSA-N -2 3 375.368 2.809 20 0 GFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000629304847 565840472 /nfs/dbraw/zinc/84/04/72/565840472.db2.gz WEQMHWFKSPPUIX-VIFPVBQESA-N -2 3 382.251 2.818 20 0 GFADHL COc1ccc(C(=O)Nc2cc(I)ccc2[O-])c([O-])c1 ZINC000610486431 566082740 /nfs/dbraw/zinc/08/27/40/566082740.db2.gz XFRFNILWZMCRDZ-UHFFFAOYSA-N -2 3 385.157 2.963 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-] ZINC000656516926 566132434 /nfs/dbraw/zinc/13/24/34/566132434.db2.gz IVQLHGOEKZIDDJ-VHSXEESVSA-N -2 3 394.287 2.625 20 0 GFADHL O=C([O-])[C@H](CCc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccco1 ZINC000656521197 566134029 /nfs/dbraw/zinc/13/40/29/566134029.db2.gz ZMXTZDOMUXVFEZ-LBPRGKRZSA-N -2 3 377.340 2.663 20 0 GFADHL O=C(Cc1ccc(Br)cc1[O-])Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000682031066 566140523 /nfs/dbraw/zinc/14/05/23/566140523.db2.gz ABGUMAYJIUCUIU-UHFFFAOYSA-N -2 3 390.193 2.679 20 0 GFADHL O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738344791 599043238 /nfs/dbraw/zinc/04/32/38/599043238.db2.gz IIMNTKAIVSEKGG-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)nc21 ZINC000737329607 598438369 /nfs/dbraw/zinc/43/83/69/598438369.db2.gz KTVDVOGDULIEMY-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)nc21 ZINC000737329607 598438371 /nfs/dbraw/zinc/43/83/71/598438371.db2.gz KTVDVOGDULIEMY-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)cc1C(=O)[O-] ZINC000737210576 599747416 /nfs/dbraw/zinc/74/74/16/599747416.db2.gz MSGCWVVCUKEFIZ-UHFFFAOYSA-N -3 3 380.378 2.674 20 0 GFADHL COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000466263266 599853249 /nfs/dbraw/zinc/85/32/49/599853249.db2.gz HTEMQFHVDCWVML-UHFFFAOYSA-N -2 3 377.418 2.600 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nc2ccccc12 ZINC000738857234 599859161 /nfs/dbraw/zinc/85/91/61/599859161.db2.gz KDOOXIZOVKAENU-UHFFFAOYSA-N -2 3 391.836 2.768 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(Cl)nc2sccn21)c1cccs1 ZINC000321633419 599981367 /nfs/dbraw/zinc/98/13/67/599981367.db2.gz OOEHMEINZVDCQV-SSDOTTSWSA-N -2 3 391.883 2.605 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000268665901 600396148 /nfs/dbraw/zinc/39/61/48/600396148.db2.gz YJYHJCJKEFSETO-ZDUSSCGKSA-N -2 3 390.461 2.719 20 0 GFADHL O=C([O-])c1ccccc1NC(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000739345076 600428574 /nfs/dbraw/zinc/42/85/74/600428574.db2.gz JGHQJFGWBFQNBL-UHFFFAOYSA-N -2 3 378.384 2.767 20 0 GFADHL Cc1nc(C)c(CC(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c(=O)[n-]1 ZINC000738844824 600606972 /nfs/dbraw/zinc/60/69/72/600606972.db2.gz PDOSXYRPDXWBDC-GOSISDBHSA-N -2 3 393.443 2.554 20 0 GFADHL CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccco1 ZINC000583992639 600649888 /nfs/dbraw/zinc/64/98/88/600649888.db2.gz WBUORFCQFILPNF-MRXNPFEDSA-N -2 3 381.450 2.599 20 0 GFADHL COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)ccc1C(=O)[O-] ZINC000831327735 600689466 /nfs/dbraw/zinc/68/94/66/600689466.db2.gz NELAVHHOJFQQBR-UHFFFAOYSA-N -2 3 393.417 2.598 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)CCCCC2)no1 ZINC000577670689 600703707 /nfs/dbraw/zinc/70/37/07/600703707.db2.gz HYSIQFFGCRCKFW-UHFFFAOYSA-N -2 3 399.856 2.868 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c([O-])c1 ZINC000832912096 600724387 /nfs/dbraw/zinc/72/43/87/600724387.db2.gz VADGDCCPYOWAPT-INIZCTEOSA-N -2 3 398.459 2.570 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](CC(=O)OC(C)C)c2ccccc2)cc1C(=O)[O-] ZINC000833028948 601215815 /nfs/dbraw/zinc/21/58/15/601215815.db2.gz UVWUZVSJZMWNEY-OAHLLOKOSA-N -2 3 395.433 2.648 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1ccc(F)cc1 ZINC000827508272 601239318 /nfs/dbraw/zinc/23/93/18/601239318.db2.gz WSEOZQKKRRMEDY-SECBINFHSA-N -2 3 389.351 2.548 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)sc1Br ZINC000123549500 601256268 /nfs/dbraw/zinc/25/62/68/601256268.db2.gz AYYOCDJNVRAQQI-NSHDSACASA-N -2 3 390.280 2.923 20 0 GFADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000325695239 601265238 /nfs/dbraw/zinc/26/52/38/601265238.db2.gz JNVAZFYQSXVIDO-UHFFFAOYSA-N -2 3 376.818 2.704 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)c1F ZINC000833293727 601269501 /nfs/dbraw/zinc/26/95/01/601269501.db2.gz GPZAFFFZMJWJFC-CYBMUJFWSA-N -2 3 399.440 2.972 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)ccc1F ZINC000730203923 601330899 /nfs/dbraw/zinc/33/08/99/601330899.db2.gz GAJOLNVNWJQVFP-UHFFFAOYSA-N -2 3 379.344 2.650 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000827746929 601385082 /nfs/dbraw/zinc/38/50/82/601385082.db2.gz HXVDTOKRUNBYIB-GFCCVEGCSA-N -2 3 393.465 2.996 20 0 GFADHL CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000830384155 601462030 /nfs/dbraw/zinc/46/20/30/601462030.db2.gz IZYSLOPGMSMTAM-AWEZNQCLSA-N -2 3 387.388 2.594 20 0 GFADHL COc1ccc(-c2cc3[n-]c(CN4C[C@@H](C)[C@H](C(=O)[O-])C4)nc(=O)c3s2)cc1 ZINC000832116071 601513220 /nfs/dbraw/zinc/51/32/20/601513220.db2.gz GKGAHIBIIMZQQC-BXUZGUMPSA-N -2 3 399.472 2.813 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1F ZINC000776450421 601811284 /nfs/dbraw/zinc/81/12/84/601811284.db2.gz KDCUYMYJTBEWEM-LLVKDONJSA-N -2 3 379.196 2.632 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccs1 ZINC000055313277 602141686 /nfs/dbraw/zinc/14/16/86/602141686.db2.gz LRVBOHJNCBTOAL-ZCFIWIBFSA-N -2 3 380.241 2.841 20 0 GFADHL CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313767 602143819 /nfs/dbraw/zinc/14/38/19/602143819.db2.gz KHEUYBQYFLEJGG-IUCAKERBSA-N -2 3 380.260 2.987 20 0 GFADHL Cc1ccsc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000122522186 602148112 /nfs/dbraw/zinc/14/81/12/602148112.db2.gz GTRMJBBPZYFEAI-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)c(Br)o1 ZINC000833303140 602159727 /nfs/dbraw/zinc/15/97/27/602159727.db2.gz KDVDPGQYXHSSEF-OPRDCNLKSA-N -2 3 392.271 2.987 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C(=O)[O-])oc1C ZINC000831343589 602217931 /nfs/dbraw/zinc/21/79/31/602217931.db2.gz OYBJRTNUNPDDNM-OAHLLOKOSA-N -2 3 395.433 2.505 20 0 GFADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000740703049 602653417 /nfs/dbraw/zinc/65/34/17/602653417.db2.gz IJTZTVJAWWWNIS-UHFFFAOYSA-N -2 3 393.396 2.843 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCCN(C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740209813 602881703 /nfs/dbraw/zinc/88/17/03/602881703.db2.gz RUIPSKMGCXRODM-OAHLLOKOSA-N -2 3 385.424 2.812 20 0 GFADHL CCN(Cc1cccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1)C(=O)[O-] ZINC000827169440 603478776 /nfs/dbraw/zinc/47/87/76/603478776.db2.gz BQWWHFSOZLBPHO-UHFFFAOYSA-N -2 3 376.438 2.965 20 0 GFADHL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1NC(=O)[O-] ZINC000829198036 603835986 /nfs/dbraw/zinc/83/59/86/603835986.db2.gz LZXOXFQWXAKRDJ-UHFFFAOYSA-N -3 3 380.378 2.593 20 0 GFADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccnc1Br ZINC000833317733 604405380 /nfs/dbraw/zinc/40/53/80/604405380.db2.gz DBZKFEPRTLQOBU-UHFFFAOYSA-N -2 3 391.630 2.997 20 0 GFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829884122 604481319 /nfs/dbraw/zinc/48/13/19/604481319.db2.gz MPDLULRGTNCNLE-YHWZYXNKSA-N -2 3 382.413 2.832 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CC2)c1F ZINC000833294759 604513547 /nfs/dbraw/zinc/51/35/47/604513547.db2.gz HQCMYYLXSYEXGN-UHFFFAOYSA-N -2 3 381.400 2.964 20 0 GFADHL O=C([O-])[C@H]1CC12CCN(C(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000833177979 604540553 /nfs/dbraw/zinc/54/05/53/604540553.db2.gz OZCDNKMYCHFGDZ-LLVKDONJSA-N -2 3 383.242 2.551 20 0 GFADHL Cc1cc([C@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)oc1C(=O)[O-] ZINC000832873324 604577430 /nfs/dbraw/zinc/57/74/30/604577430.db2.gz BGMWOQUUTKEJSH-VIFPVBQESA-N -2 3 385.369 2.715 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)c1F ZINC000833295370 604661965 /nfs/dbraw/zinc/66/19/65/604661965.db2.gz SMKJFDMZJKKOSP-NSHDSACASA-N -2 3 389.420 2.823 20 0 GFADHL CC(C)c1nc(C2([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])CCCC2)no1 ZINC000833512746 605043278 /nfs/dbraw/zinc/04/32/78/605043278.db2.gz SRWRTLTYCDKJMM-UHFFFAOYSA-N -2 3 397.428 2.778 20 0 GFADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821483118 606413877 /nfs/dbraw/zinc/41/38/77/606413877.db2.gz XVDOHASBTNJSJG-UHFFFAOYSA-N -2 3 375.429 2.931 20 0 GFADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821483118 606413879 /nfs/dbraw/zinc/41/38/79/606413879.db2.gz XVDOHASBTNJSJG-UHFFFAOYSA-N -2 3 375.429 2.931 20 0 GFADHL CCCCCc1nnc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000821060694 606468136 /nfs/dbraw/zinc/46/81/36/606468136.db2.gz IJXFBBCGBZKWOD-UHFFFAOYSA-N -2 3 393.498 2.560 20 0 GFADHL CCCCCc1nnc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000821060694 606468138 /nfs/dbraw/zinc/46/81/38/606468138.db2.gz IJXFBBCGBZKWOD-UHFFFAOYSA-N -2 3 393.498 2.560 20 0 GFADHL O=S(=O)([N-]c1cccc(C(F)F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589237 606867223 /nfs/dbraw/zinc/86/72/23/606867223.db2.gz UYSGDAAZHOYSHZ-UHFFFAOYSA-N -2 3 387.318 2.883 20 0 GFADHL O=S(=O)([N-]c1cccc(C(F)F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589237 606867225 /nfs/dbraw/zinc/86/72/25/606867225.db2.gz UYSGDAAZHOYSHZ-UHFFFAOYSA-N -2 3 387.318 2.883 20 0 GFADHL Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822229529 606892328 /nfs/dbraw/zinc/89/23/28/606892328.db2.gz WNTXIOFHSRNWGK-LLVKDONJSA-N -2 3 393.419 2.535 20 0 GFADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822202182 606981053 /nfs/dbraw/zinc/98/10/53/606981053.db2.gz OKEMUSCDNCAJMB-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822202182 606981055 /nfs/dbraw/zinc/98/10/55/606981055.db2.gz OKEMUSCDNCAJMB-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)CCC(=O)[O-] ZINC000826271883 607833483 /nfs/dbraw/zinc/83/34/83/607833483.db2.gz LJZKPEKRQWSZNY-UHFFFAOYSA-N -2 3 381.392 2.557 20 0 GFADHL Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)CCC(=O)[O-] ZINC000826271883 607833484 /nfs/dbraw/zinc/83/34/84/607833484.db2.gz LJZKPEKRQWSZNY-UHFFFAOYSA-N -2 3 381.392 2.557 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000826292737 608107877 /nfs/dbraw/zinc/10/78/77/608107877.db2.gz JTEIDYZWBVMIJC-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL O=C(c1ccc([O-])cc1)C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826472980 608192939 /nfs/dbraw/zinc/19/29/39/608192939.db2.gz FQPKBLRZLSIDSB-UHFFFAOYSA-N -2 3 390.856 2.782 20 0 GFADHL CCCC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)CCC ZINC000825221095 608197069 /nfs/dbraw/zinc/19/70/69/608197069.db2.gz XYMVPZGAMKEIEI-UHFFFAOYSA-N -2 3 397.888 2.852 20 0 GFADHL CCCC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)CCC ZINC000825221095 608197071 /nfs/dbraw/zinc/19/70/71/608197071.db2.gz XYMVPZGAMKEIEI-UHFFFAOYSA-N -2 3 397.888 2.852 20 0 GFADHL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824119097 608236047 /nfs/dbraw/zinc/23/60/47/608236047.db2.gz BGRBDRGHGVRSDD-UHFFFAOYSA-N -2 3 391.428 2.984 20 0 GFADHL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824119097 608236049 /nfs/dbraw/zinc/23/60/49/608236049.db2.gz BGRBDRGHGVRSDD-UHFFFAOYSA-N -2 3 391.428 2.984 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000824087619 609330150 /nfs/dbraw/zinc/33/01/50/609330150.db2.gz ZPFUHLWMDWHDEU-LLVKDONJSA-N -2 3 395.382 2.651 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000825333050 609371438 /nfs/dbraw/zinc/37/14/38/609371438.db2.gz PUFDJLGKVIUUKK-UHFFFAOYSA-N -2 3 390.444 2.937 20 0 GFADHL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825653373 609523401 /nfs/dbraw/zinc/52/34/01/609523401.db2.gz BZYUBDDDTKTUOB-UHFFFAOYSA-N -2 3 379.829 2.720 20 0 GFADHL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825653373 609523404 /nfs/dbraw/zinc/52/34/04/609523404.db2.gz BZYUBDDDTKTUOB-UHFFFAOYSA-N -2 3 379.829 2.720 20 0 GFADHL O=S(=O)([N-]c1ccc2cccc(Cl)c2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493201 609525293 /nfs/dbraw/zinc/52/52/93/609525293.db2.gz YCGZQDVRRKMVRI-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(-c3ccc(F)cc3)o2)s1 ZINC000047293061 654692359 /nfs/dbraw/zinc/69/23/59/654692359.db2.gz ZIZAUHRADCGSLL-UHFFFAOYSA-N -2 3 382.398 2.561 20 0 GFADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000060838647 654833290 /nfs/dbraw/zinc/83/32/90/654833290.db2.gz CEWBJRYJTBWCOU-UHFFFAOYSA-N -2 3 389.260 2.772 20 0 GFADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(SC(F)F)c3)ccc21 ZINC000068216467 654957868 /nfs/dbraw/zinc/95/78/68/654957868.db2.gz AWBZBPYUNOHQSC-UHFFFAOYSA-N -2 3 384.385 2.686 20 0 GFADHL N#Cc1ccc(C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)cc1[O-] ZINC000188263046 655379111 /nfs/dbraw/zinc/37/91/11/655379111.db2.gz YJBBYAMUTCBDEQ-UHFFFAOYSA-N -2 3 394.612 2.755 20 0 GFADHL Cc1cc(F)c(Br)cc1S(=O)(=O)[N-][N-]C(=O)CCC(C)C ZINC000189284574 655385750 /nfs/dbraw/zinc/38/57/50/655385750.db2.gz DYMRUKPPTSLNFR-UHFFFAOYSA-N -2 3 381.267 2.642 20 0 GFADHL O=C([O-])c1c(F)cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000579426297 655499414 /nfs/dbraw/zinc/49/94/14/655499414.db2.gz BAZSGICYUFRHRK-UHFFFAOYSA-N -2 3 379.743 2.934 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCc2ccccc2)s1 ZINC000768754833 656250428 /nfs/dbraw/zinc/25/04/28/656250428.db2.gz DUFQSGSHNUGCOF-UHFFFAOYSA-N -2 3 390.280 2.730 20 0 GFADHL O=C(CSc1n[n-]c(=S)s1)NCc1ccc([O-])c(Br)c1 ZINC000769592347 656281491 /nfs/dbraw/zinc/28/14/91/656281491.db2.gz LELLKATUGDXQGU-UHFFFAOYSA-N -2 3 392.325 2.703 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)Cc1ccccc1Cl ZINC000776536345 656753648 /nfs/dbraw/zinc/75/36/48/656753648.db2.gz CTNZCYPVUYZXAB-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000776571613 656760665 /nfs/dbraw/zinc/76/06/65/656760665.db2.gz SCYDECWZBYDHKF-LLVKDONJSA-N -2 3 389.260 2.925 20 0 GFADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)(CC(=O)[O-])C1 ZINC000776623675 656769757 /nfs/dbraw/zinc/76/97/57/656769757.db2.gz AACUWAHBXOFTFS-LKFCYVNXSA-N -2 3 381.281 2.948 20 0 GFADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000841780333 661312686 /nfs/dbraw/zinc/31/26/86/661312686.db2.gz RFLPBDRNHAWMTJ-LBPRGKRZSA-N -2 3 386.832 2.629 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)c1 ZINC000871970317 662747688 /nfs/dbraw/zinc/74/76/88/662747688.db2.gz MYUHGGQULHEORJ-LLVKDONJSA-N -2 3 380.249 2.539 20 0 GFADHL O=C(c1cc(Cl)cc(Br)c1[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216102 663638757 /nfs/dbraw/zinc/63/87/57/663638757.db2.gz NCUHMWNLBQDYAR-ZETCQYMHSA-N -2 3 386.633 2.867 20 0 GFADHL O=S(=O)(C[C@H]1CCCOC1)[N-]c1c([O-])cc(Br)cc1Cl ZINC000905104982 663853655 /nfs/dbraw/zinc/85/36/55/663853655.db2.gz RUDHZFANJGENEU-QMMMGPOBSA-N -2 3 384.679 2.976 20 0 GFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000388533770 563520927 /nfs/dbraw/zinc/52/09/27/563520927.db2.gz LDUJRIBJDGYDSN-PWSUYJOCSA-N -2 3 394.262 2.900 20 0 GFADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000007709261 551101412 /nfs/dbraw/zinc/10/14/12/551101412.db2.gz XXSOYVKTJMLYKN-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000007709261 551101414 /nfs/dbraw/zinc/10/14/14/551101414.db2.gz XXSOYVKTJMLYKN-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1[N-]S(C)(=O)=O ZINC000044259268 551143771 /nfs/dbraw/zinc/14/37/71/551143771.db2.gz XIHWRGXHQBBICN-UHFFFAOYSA-N -2 3 390.870 2.521 20 0 GFADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1F ZINC000123890967 551309636 /nfs/dbraw/zinc/30/96/36/551309636.db2.gz PGMRSTIWIKCNPG-UHFFFAOYSA-N -2 3 394.396 2.666 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1cccs1 ZINC000129757626 551359854 /nfs/dbraw/zinc/35/98/54/551359854.db2.gz HWIUVOLUQVNWPG-LLVKDONJSA-N -2 3 394.243 2.754 20 0 GFADHL CC(C)C1CCC([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000153034102 551445282 /nfs/dbraw/zinc/44/52/82/551445282.db2.gz ZBIGYIKEXVPISL-UHFFFAOYSA-N -2 3 392.518 2.690 20 0 GFADHL COc1nc([N-]C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)n[n-]1 ZINC000183008528 552298696 /nfs/dbraw/zinc/29/86/96/552298696.db2.gz NFBMHDSCHMXWHE-UHFFFAOYSA-N -2 3 384.179 2.939 20 0 GFADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(Cl)c(F)c(Cl)c3)ccc21 ZINC000191804291 552538643 /nfs/dbraw/zinc/53/86/43/552538643.db2.gz ZNJZFJHWLDVHQO-UHFFFAOYSA-N -2 3 389.191 2.817 20 0 GFADHL CCC[C@@](C)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236975184 553073902 /nfs/dbraw/zinc/07/39/02/553073902.db2.gz JSXNCFYJJHLZCW-MRXNPFEDSA-N -2 3 381.226 2.664 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)s1 ZINC000262401048 553170518 /nfs/dbraw/zinc/17/05/18/553170518.db2.gz KCOXOSSNYXMMDY-UHFFFAOYSA-N -2 3 382.301 2.741 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H]1CCOC2(CCC2)C1 ZINC000372259954 563300716 /nfs/dbraw/zinc/30/07/16/563300716.db2.gz DZIFGBPKEXXKTO-QMTHXVAHSA-N -2 3 391.848 2.560 20 0 GFADHL CCCSC[C@H](NCc1ccc(OC)c([O-])c1Br)C(=O)[O-] ZINC000426776276 563455707 /nfs/dbraw/zinc/45/57/07/563455707.db2.gz XNITWYDNNLYWLL-JTQLQIEISA-N -2 3 378.288 2.849 20 0 GFADHL O=S(=O)([N-]Cc1ncccc1[O-])c1cc(Cl)ccc1Br ZINC000429905695 563528167 /nfs/dbraw/zinc/52/81/67/563528167.db2.gz VQKLYYXNBDDQTC-UHFFFAOYSA-N -2 3 377.647 2.682 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)sc1Br ZINC000399752674 563534271 /nfs/dbraw/zinc/53/42/71/563534271.db2.gz VBWXNYQOBKUNKV-SCZZXKLOSA-N -2 3 384.317 2.843 20 0 GFADHL NC(=O)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])ccc1Cl ZINC000436476491 563671075 /nfs/dbraw/zinc/67/10/75/563671075.db2.gz FZHCCHQPCZBDOX-UHFFFAOYSA-N -2 3 394.758 2.964 20 0 GFADHL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436479601 563672070 /nfs/dbraw/zinc/67/20/70/563672070.db2.gz RUKWLLOKBNEQKU-UHFFFAOYSA-N -2 3 395.380 2.615 20 0 GFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000436669046 563675763 /nfs/dbraw/zinc/67/57/63/563675763.db2.gz ZHBOSRHTOAESNG-UHFFFAOYSA-N -2 3 375.324 2.998 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)(C)c1cccs1 ZINC000566175516 564314713 /nfs/dbraw/zinc/31/47/13/564314713.db2.gz AGHQBLGDEMSWDE-UHFFFAOYSA-N -2 3 375.493 2.773 20 0 GFADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000566915517 564349800 /nfs/dbraw/zinc/34/98/00/564349800.db2.gz KXEUWBGCBFQDLJ-LBPRGKRZSA-N -2 3 394.287 2.625 20 0 GFADHL CCc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)ccc1C ZINC000477245546 564370863 /nfs/dbraw/zinc/37/08/63/564370863.db2.gz YXDAWZHNKXVHSN-UHFFFAOYSA-N -2 3 386.470 2.869 20 0 GFADHL CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1 ZINC000567585077 564378746 /nfs/dbraw/zinc/37/87/46/564378746.db2.gz MZKPEEMKQXPPMA-ZJUUUORDSA-N -2 3 379.525 2.798 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000567803044 564390088 /nfs/dbraw/zinc/39/00/88/564390088.db2.gz JWSUEIOJTFRQPL-LBPRGKRZSA-N -2 3 385.825 2.996 20 0 GFADHL C[C@@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000512195587 564394665 /nfs/dbraw/zinc/39/46/65/564394665.db2.gz ZHNCFTMAGSPOEU-CHWSQXEVSA-N -2 3 392.518 2.692 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](Cc2ccccc2Cl)C(=O)[O-])s1 ZINC000547548594 564493135 /nfs/dbraw/zinc/49/31/35/564493135.db2.gz KXFFLRDVCUMADT-LBPRGKRZSA-N -2 3 388.898 2.635 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCC1 ZINC000547579715 564497258 /nfs/dbraw/zinc/49/72/58/564497258.db2.gz SKOSBXRRQNVHAS-NSHDSACASA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000547611297 564502473 /nfs/dbraw/zinc/50/24/73/564502473.db2.gz BBYNQELDDCTNEF-RYUDHWBXSA-N -2 3 390.845 2.950 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccsc1 ZINC000570637038 564515650 /nfs/dbraw/zinc/51/56/50/564515650.db2.gz LIRFLJFHPHOPNS-NSHDSACASA-N -2 3 375.855 2.904 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000547932641 564522952 /nfs/dbraw/zinc/52/29/52/564522952.db2.gz HRSRBYJZPOMFOZ-LLVKDONJSA-N -2 3 398.428 2.531 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000548199987 564535942 /nfs/dbraw/zinc/53/59/42/564535942.db2.gz UBXAJSYXZZYDCN-GFCCVEGCSA-N -2 3 388.898 2.635 20 0 GFADHL CCc1nc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)ccc1C(=O)[O-] ZINC000548215280 564537532 /nfs/dbraw/zinc/53/75/32/564537532.db2.gz BGKCFDKXZBDVKY-UHFFFAOYSA-N -2 3 386.832 2.922 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCOCC1 ZINC000548234909 564540762 /nfs/dbraw/zinc/54/07/62/564540762.db2.gz FMOYPQUXNHGOEL-LBPRGKRZSA-N -2 3 382.265 2.542 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000548266334 564545276 /nfs/dbraw/zinc/54/52/76/564545276.db2.gz VAWYBGYBHLKBDW-NSHDSACASA-N -2 3 378.834 2.657 20 0 GFADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000548543119 564557794 /nfs/dbraw/zinc/55/77/94/564557794.db2.gz OYFKCZVFVWRGIV-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1F ZINC000548562582 564561162 /nfs/dbraw/zinc/56/11/62/564561162.db2.gz WFYRHSRTOWTTKU-ZDUSSCGKSA-N -2 3 377.315 2.737 20 0 GFADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000519044020 564568653 /nfs/dbraw/zinc/56/86/53/564568653.db2.gz UKAKDKODBNOADA-ZETCQYMHSA-N -2 3 377.431 2.642 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c(Cl)c1 ZINC000485069632 564605696 /nfs/dbraw/zinc/60/56/96/564605696.db2.gz AECXZTKMLMEECN-LBPRGKRZSA-N -2 3 391.873 2.684 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000572770488 564608954 /nfs/dbraw/zinc/60/89/54/564608954.db2.gz VVPIGNLQVCVRDQ-GFCCVEGCSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CCC1 ZINC000551238856 564643728 /nfs/dbraw/zinc/64/37/28/564643728.db2.gz VOZNLZLMEMDLPL-NSHDSACASA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000526059644 564717843 /nfs/dbraw/zinc/71/78/43/564717843.db2.gz MYMHWJPWCJEZJK-OCCSQVGLSA-N -2 3 385.869 2.827 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000526059948 564717877 /nfs/dbraw/zinc/71/78/77/564717877.db2.gz FYEAYUFYJCQOBC-SECBINFHSA-N -2 3 381.262 2.863 20 0 GFADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000526059645 564718450 /nfs/dbraw/zinc/71/84/50/564718450.db2.gz MYMHWJPWCJEZJK-TZMCWYRMSA-N -2 3 385.869 2.827 20 0 GFADHL O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459333086 564740193 /nfs/dbraw/zinc/74/01/93/564740193.db2.gz YNWVFMNSZBHFQP-UHFFFAOYSA-N -2 3 391.265 2.818 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccccc1[O-] ZINC000489813612 564754360 /nfs/dbraw/zinc/75/43/60/564754360.db2.gz VOPRLSYNXCRBSC-UHFFFAOYSA-N -2 3 375.233 2.616 20 0 GFADHL O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000555410646 564792803 /nfs/dbraw/zinc/79/28/03/564792803.db2.gz LSPGOPHXDKJEPA-HZPDHXFCSA-N -2 3 389.901 2.544 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000581545818 564807062 /nfs/dbraw/zinc/80/70/62/564807062.db2.gz COIZCLOLNLQCOR-OCCSQVGLSA-N -2 3 387.866 2.908 20 0 GFADHL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000581542367 564807354 /nfs/dbraw/zinc/80/73/54/564807354.db2.gz KCPAZEGMWAORJJ-UWVGGRQHSA-N -2 3 393.237 2.616 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)c1 ZINC000461899183 564807611 /nfs/dbraw/zinc/80/76/11/564807611.db2.gz HXKIJISWQMLOGE-SNVBAGLBSA-N -2 3 375.374 2.527 20 0 GFADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000582471054 564848164 /nfs/dbraw/zinc/84/81/64/564848164.db2.gz OWGJBAVJEXPLHJ-MNOVXSKESA-N -2 3 375.874 2.906 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC000582485363 564848281 /nfs/dbraw/zinc/84/82/81/564848281.db2.gz YVUJJMORWYHYSQ-UHFFFAOYSA-N -2 3 381.475 2.855 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])sc1Br ZINC000530526805 564885807 /nfs/dbraw/zinc/88/58/07/564885807.db2.gz SXHCYFAFDJZKRR-SECBINFHSA-N -2 3 382.301 2.741 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)C(F)F ZINC000583530809 564896084 /nfs/dbraw/zinc/89/60/84/564896084.db2.gz SAQHKWBPOICWST-LURJTMIESA-N -2 3 395.733 2.993 20 0 GFADHL Cc1nc(C=Cc2cnc3ccc(Br)cn23)[n-]c(=O)c1CC(=O)[O-] ZINC000504728429 565043661 /nfs/dbraw/zinc/04/36/61/565043661.db2.gz CJVFCBWKNLZZFV-ARJAWSKDSA-N -2 3 389.209 2.698 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)c(F)c1 ZINC000563059508 565053550 /nfs/dbraw/zinc/05/35/50/565053550.db2.gz PMHRTYJFUMPAGI-NEPJUHHUSA-N -2 3 396.481 2.536 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H](C)Oc1ccc(C)cc1 ZINC000563075071 565054588 /nfs/dbraw/zinc/05/45/88/565054588.db2.gz JAHSYTAIOXWHKX-LLVKDONJSA-N -2 3 385.463 2.509 20 0 GFADHL O=C([O-])c1cc2cc(NC(=O)C[N-]S(=O)(=O)c3cccs3)ccc2s1 ZINC000537625945 565060306 /nfs/dbraw/zinc/06/03/06/565060306.db2.gz XMEVHGBPLWICTG-UHFFFAOYSA-N -2 3 396.471 2.578 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)CC(=O)[O-] ZINC000684655955 565077661 /nfs/dbraw/zinc/07/76/61/565077661.db2.gz XVORTLCBNCJPQS-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)c(Cl)c1Cl ZINC000663255441 565404282 /nfs/dbraw/zinc/40/42/82/565404282.db2.gz RMLBZPXWKWGUNC-VIFPVBQESA-N -2 3 382.265 2.781 20 0 GFADHL CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663424107 565419485 /nfs/dbraw/zinc/41/94/85/565419485.db2.gz ITRKEQZBUHEJEG-UHFFFAOYSA-N -2 3 387.841 2.859 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000668140412 565630065 /nfs/dbraw/zinc/63/00/65/565630065.db2.gz UZRDFVAWHMJYQY-APPZFPTMSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1 ZINC000647922396 565683049 /nfs/dbraw/zinc/68/30/49/565683049.db2.gz DUTQNIRUQIKTIX-UHFFFAOYSA-N -2 3 375.431 2.845 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000629295204 565836954 /nfs/dbraw/zinc/83/69/54/565836954.db2.gz MPUOBAQIIGNJCD-VIFPVBQESA-N -2 3 382.251 2.532 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000629344177 565846949 /nfs/dbraw/zinc/84/69/49/565846949.db2.gz SEGQDKPPGMSBSN-UHFFFAOYSA-N -2 3 387.401 2.856 20 0 GFADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000630433056 565901372 /nfs/dbraw/zinc/90/13/72/565901372.db2.gz LTWFHLTZUUMBMM-CZMCAQCFSA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])C1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCC1 ZINC000676023910 565922712 /nfs/dbraw/zinc/92/27/12/565922712.db2.gz UKMVOTQZMBDAPG-UHFFFAOYSA-N -2 3 393.237 2.665 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(F)cc2F)s1 ZINC000681574925 566114744 /nfs/dbraw/zinc/11/47/44/566114744.db2.gz JYXFGUYPNOZHHR-GFCCVEGCSA-N -2 3 376.406 2.532 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@](C)(CC)C(=O)[O-] ZINC000656712347 566156859 /nfs/dbraw/zinc/15/68/59/566156859.db2.gz ADYQFPGSIXMZRG-CQSZACIVSA-N -2 3 394.287 2.770 20 0 GFADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735986008 598924061 /nfs/dbraw/zinc/92/40/61/598924061.db2.gz PCDGNMRJUGIOGM-SNVBAGLBSA-N -2 3 397.888 2.541 20 0 GFADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735986008 598924062 /nfs/dbraw/zinc/92/40/62/598924062.db2.gz PCDGNMRJUGIOGM-SNVBAGLBSA-N -2 3 397.888 2.541 20 0 GFADHL O=S(=O)([N-]c1ccc(F)cc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738342762 598950983 /nfs/dbraw/zinc/95/09/83/598950983.db2.gz PIXJMRXGNUTSLN-UHFFFAOYSA-N -2 3 389.412 2.595 20 0 GFADHL O=S(=O)([N-]c1ccc(F)cc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738342762 598950985 /nfs/dbraw/zinc/95/09/85/598950985.db2.gz PIXJMRXGNUTSLN-UHFFFAOYSA-N -2 3 389.412 2.595 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000583542571 597492222 /nfs/dbraw/zinc/49/22/22/597492222.db2.gz RTEUBMQBJPTAOT-SFHVURJKSA-N -2 3 392.415 2.975 20 0 GFADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000820841994 607328390 /nfs/dbraw/zinc/32/83/90/607328390.db2.gz HZPIUJAILRTOSJ-UHFFFAOYSA-N -2 3 393.375 2.538 20 0 GFADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000820841994 607328391 /nfs/dbraw/zinc/32/83/91/607328391.db2.gz HZPIUJAILRTOSJ-UHFFFAOYSA-N -2 3 393.375 2.538 20 0 GFADHL CCC(CC)(CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000820882668 607365789 /nfs/dbraw/zinc/36/57/89/607365789.db2.gz XEOLCWHWVSEUAH-UHFFFAOYSA-N -2 3 375.429 2.874 20 0 GFADHL CCC(CC)(CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000820882668 607365791 /nfs/dbraw/zinc/36/57/91/607365791.db2.gz XEOLCWHWVSEUAH-UHFFFAOYSA-N -2 3 375.429 2.874 20 0 GFADHL O=S(=O)([N-]c1ccsc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823589264 599304872 /nfs/dbraw/zinc/30/48/72/599304872.db2.gz WHVVPBVEKBZNGU-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL O=S(=O)([N-]c1ccsc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823589264 599304874 /nfs/dbraw/zinc/30/48/74/599304874.db2.gz WHVVPBVEKBZNGU-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000736329961 599615759 /nfs/dbraw/zinc/61/57/59/599615759.db2.gz BEBDZMVVULNDSV-CQSZACIVSA-N -2 3 399.476 2.564 20 0 GFADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000736329961 599615761 /nfs/dbraw/zinc/61/57/61/599615761.db2.gz BEBDZMVVULNDSV-CQSZACIVSA-N -2 3 399.476 2.564 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CCOCC2)o1 ZINC000568623792 599778975 /nfs/dbraw/zinc/77/89/75/599778975.db2.gz XUDYRBVDOAPVOY-UHFFFAOYSA-N -2 3 399.852 2.658 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c(C(=O)[O-])s1 ZINC000737680488 599813900 /nfs/dbraw/zinc/81/39/00/599813900.db2.gz JSEYFCZOYNBIMI-UHFFFAOYSA-N -2 3 389.838 2.996 20 0 GFADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000738201700 599881031 /nfs/dbraw/zinc/88/10/31/599881031.db2.gz UWXLZCRPUKFNCN-HNNXBMFYSA-N -2 3 399.428 2.630 20 0 GFADHL C[C@@]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)(C(=O)[O-])C1CC1 ZINC000736670917 600240446 /nfs/dbraw/zinc/24/04/46/600240446.db2.gz OZFAYWOJVLMMMH-HNNXBMFYSA-N -2 3 386.882 2.995 20 0 GFADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000739686824 600489018 /nfs/dbraw/zinc/48/90/18/600489018.db2.gz BQGXYJSEXJDRJR-UHFFFAOYSA-N -2 3 377.418 2.666 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1 ZINC000739886335 600513345 /nfs/dbraw/zinc/51/33/45/600513345.db2.gz AKVLBLBUHAQDQU-UHFFFAOYSA-N -2 3 378.425 2.854 20 0 GFADHL CCOc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)ccc1OC ZINC000042795584 600542491 /nfs/dbraw/zinc/54/24/91/600542491.db2.gz MOEQJZITWVUTTK-UHFFFAOYSA-N -2 3 381.406 2.602 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1C(=O)[O-] ZINC000738069493 600659247 /nfs/dbraw/zinc/65/92/47/600659247.db2.gz BCVIHXILQCKNPV-UHFFFAOYSA-N -2 3 387.417 2.595 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000788455247 600776942 /nfs/dbraw/zinc/77/69/42/600776942.db2.gz FJWNFXGQZMVCNT-LLVKDONJSA-N -2 3 375.233 2.535 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1C(=O)[O-] ZINC000832955859 600829805 /nfs/dbraw/zinc/82/98/05/600829805.db2.gz NTICNVFWOJNTBO-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)N(C)C)cc1 ZINC000832923579 600994890 /nfs/dbraw/zinc/99/48/90/600994890.db2.gz QGAOWUNRDPEZAY-AWEZNQCLSA-N -2 3 398.431 2.553 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(F)cc(Br)c2)cc1C(=O)[O-] ZINC000833027566 601217826 /nfs/dbraw/zinc/21/78/26/601217826.db2.gz WJTJLSXRLOHHMN-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)c1F ZINC000833294753 601229532 /nfs/dbraw/zinc/22/95/32/601229532.db2.gz WDDJIVXLSHCZKT-UHFFFAOYSA-N -2 3 393.314 2.743 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)c1F ZINC000833294774 601231768 /nfs/dbraw/zinc/23/17/68/601231768.db2.gz IBMGDYADFYQFBD-UHFFFAOYSA-N -2 3 385.363 2.812 20 0 GFADHL Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832950563 601233188 /nfs/dbraw/zinc/23/31/88/601233188.db2.gz CXHITBRITPBGCX-LLVKDONJSA-N -2 3 385.388 2.717 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCCOCc2ccccc2)c1F ZINC000390522426 601233620 /nfs/dbraw/zinc/23/36/20/601233620.db2.gz FSGORMOTZRRIMT-UHFFFAOYSA-N -2 3 399.415 2.938 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)c1F ZINC000833294064 601237556 /nfs/dbraw/zinc/23/75/56/601237556.db2.gz NBEZHZGAMXDBEW-UHFFFAOYSA-N -2 3 378.356 2.690 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2F)c1F ZINC000833294698 601237648 /nfs/dbraw/zinc/23/76/48/601237648.db2.gz GBRZNVXIMQJHDO-CPCISQLKSA-N -2 3 389.326 2.776 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1cccc(F)c1 ZINC000827508243 601239323 /nfs/dbraw/zinc/23/93/23/601239323.db2.gz UTEHELXODVMRJF-VIFPVBQESA-N -2 3 389.351 2.548 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1ccccc1F ZINC000827507452 601239380 /nfs/dbraw/zinc/23/93/80/601239380.db2.gz HLDKIDZKESKYGX-VIFPVBQESA-N -2 3 389.351 2.548 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)c(Cl)cc1Cl ZINC000776468057 601249672 /nfs/dbraw/zinc/24/96/72/601249672.db2.gz DEAOKKGGKNDDCF-LLVKDONJSA-N -2 3 398.264 2.558 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1C ZINC000556799468 601330896 /nfs/dbraw/zinc/33/08/96/601330896.db2.gz DAKAFYNXPIDYON-UHFFFAOYSA-N -3 3 393.417 2.656 20 0 GFADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000832872459 601335467 /nfs/dbraw/zinc/33/54/67/601335467.db2.gz WOAKZNFORZFXIZ-UHFFFAOYSA-N -3 3 393.417 2.656 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H]1Oc2ccccc2[C@@H]1C ZINC000827760405 601523090 /nfs/dbraw/zinc/52/30/90/601523090.db2.gz JRQREUBVUDNNGV-YMNVWFMLSA-N -2 3 397.399 2.895 20 0 GFADHL CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C(=O)[O-] ZINC000262992923 601753416 /nfs/dbraw/zinc/75/34/16/601753416.db2.gz OPROIVAYMYAMOS-KRWDZBQOSA-N -2 3 390.461 2.697 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)[O-])cc2)n1 ZINC000740054232 601910234 /nfs/dbraw/zinc/91/02/34/601910234.db2.gz JVYNUZUQUXEARN-UAGQMJEPSA-N -2 3 396.447 2.995 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1F ZINC000825643084 607533974 /nfs/dbraw/zinc/53/39/74/607533974.db2.gz IDOGKZDDSVQEAC-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)c2C1 ZINC000825326888 607534872 /nfs/dbraw/zinc/53/48/72/607534872.db2.gz HNZKNESKEGHUNU-UHFFFAOYSA-N -2 3 398.492 2.702 20 0 GFADHL CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)c2C1 ZINC000825326888 607534874 /nfs/dbraw/zinc/53/48/74/607534874.db2.gz HNZKNESKEGHUNU-UHFFFAOYSA-N -2 3 398.492 2.702 20 0 GFADHL O=S(=O)([N-]c1ccccc1Nc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492933 607538847 /nfs/dbraw/zinc/53/88/47/607538847.db2.gz LVVWXKZKIQTFOK-UHFFFAOYSA-N -2 3 393.432 2.806 20 0 GFADHL O=S(=O)([N-]c1ccccc1Nc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826492933 607538849 /nfs/dbraw/zinc/53/88/49/607538849.db2.gz LVVWXKZKIQTFOK-UHFFFAOYSA-N -2 3 393.432 2.806 20 0 GFADHL Cc1ccccc1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000316266715 602141667 /nfs/dbraw/zinc/14/16/67/602141667.db2.gz BAKCWBGCSDHNBW-UHFFFAOYSA-N -2 3 388.239 2.570 20 0 GFADHL CCc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)s1 ZINC000184927821 602145602 /nfs/dbraw/zinc/14/56/02/602145602.db2.gz BHPOLOKCQHMUCU-UHFFFAOYSA-N -2 3 394.268 2.843 20 0 GFADHL CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000068601937 602157608 /nfs/dbraw/zinc/15/76/08/602157608.db2.gz LQLIYRBTMAUJMT-RKDXNWHRSA-N -2 3 380.260 2.987 20 0 GFADHL Cc1cccc(F)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000832968651 602160871 /nfs/dbraw/zinc/16/08/71/602160871.db2.gz CEWKQLILXQPQDO-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C3CC3)CC2)c(F)cc1Br ZINC000833303334 602175656 /nfs/dbraw/zinc/17/56/56/602175656.db2.gz QFLMHKYKHOMSQC-UHFFFAOYSA-N -2 3 378.219 2.507 20 0 GFADHL O=C([O-])Cc1csc(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000833268761 602239972 /nfs/dbraw/zinc/23/99/72/602239972.db2.gz FOAZFWLHAYFNJP-UHFFFAOYSA-N -2 3 386.227 2.560 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-] ZINC000740106709 602245973 /nfs/dbraw/zinc/24/59/73/602245973.db2.gz IRIGVONLJOSAOV-UHFFFAOYSA-N -3 3 376.390 2.535 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739039211 602315770 /nfs/dbraw/zinc/31/57/70/602315770.db2.gz NMLOTKMQJSHSFE-ZJUUUORDSA-N -2 3 398.378 2.901 20 0 GFADHL CC[C@H](NC(=O)[O-])C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000739535019 602327618 /nfs/dbraw/zinc/32/76/18/602327618.db2.gz WDGJIKOCYIOWDV-INIZCTEOSA-N -2 3 391.449 2.781 20 0 GFADHL O=C([O-])N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)(c2ccccc2)CC1 ZINC000740495410 602359326 /nfs/dbraw/zinc/35/93/26/602359326.db2.gz BBDIGGFSAYZYHR-UHFFFAOYSA-N -2 3 392.419 2.517 20 0 GFADHL O=C([O-])N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)(c2ccccc2)CC1 ZINC000740495410 602359330 /nfs/dbraw/zinc/35/93/30/602359330.db2.gz BBDIGGFSAYZYHR-UHFFFAOYSA-N -2 3 392.419 2.517 20 0 GFADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000832140125 603143839 /nfs/dbraw/zinc/14/38/39/603143839.db2.gz HDIREWMTPPIXIK-SNVBAGLBSA-N -2 3 390.248 2.676 20 0 GFADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1C ZINC000833397871 604744898 /nfs/dbraw/zinc/74/48/98/604744898.db2.gz ODHNHEVQMGGJJP-UHFFFAOYSA-N -2 3 380.397 2.900 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-])c1noc(-c2ccccc2)n1 ZINC000833523836 605048250 /nfs/dbraw/zinc/04/82/50/605048250.db2.gz YSOSSAKPJXZDQP-SNVBAGLBSA-N -2 3 391.380 2.613 20 0 GFADHL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)cc2)CCO1 ZINC000749143957 605164573 /nfs/dbraw/zinc/16/45/73/605164573.db2.gz CPAIMTJQSUTQBX-GFCCVEGCSA-N -2 3 394.424 2.550 20 0 GFADHL C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000833535059 605276585 /nfs/dbraw/zinc/27/65/85/605276585.db2.gz LNZNETYEYGAIKS-JTQLQIEISA-N -2 3 377.780 2.606 20 0 GFADHL CC(C)(CC(=O)[O-])NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000833455850 605756612 /nfs/dbraw/zinc/75/66/12/605756612.db2.gz AERIXFGGYXYJMJ-KRWDZBQOSA-N -2 3 384.432 2.623 20 0 GFADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)cn1 ZINC000834279800 606022153 /nfs/dbraw/zinc/02/21/53/606022153.db2.gz YMAFQWIVLZQUKY-UHFFFAOYSA-N -2 3 376.785 2.991 20 0 GFADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cc(Cl)sc1Cl ZINC000823582833 606337963 /nfs/dbraw/zinc/33/79/63/606337963.db2.gz BJXGGFFSKYZZSS-UHFFFAOYSA-N -2 3 392.249 2.741 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(CC)s1 ZINC000821310134 606598740 /nfs/dbraw/zinc/59/87/40/606598740.db2.gz XIUNMCZHWKMMKM-UHFFFAOYSA-N -2 3 378.483 2.723 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000821310104 606598932 /nfs/dbraw/zinc/59/89/32/606598932.db2.gz WRWACNDUEIEHON-UHFFFAOYSA-N -2 3 396.835 2.892 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1(CC(C)C)CCCC1 ZINC000822222325 606749545 /nfs/dbraw/zinc/74/95/45/606749545.db2.gz CLTLOZZOAHPBTF-UHFFFAOYSA-N -2 3 391.497 2.587 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1(CC(C)C)CCCC1 ZINC000822222325 606749547 /nfs/dbraw/zinc/74/95/47/606749547.db2.gz CLTLOZZOAHPBTF-UHFFFAOYSA-N -2 3 391.497 2.587 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000822153022 606788189 /nfs/dbraw/zinc/78/81/89/606788189.db2.gz KKEKZRDTCCLTFB-UHFFFAOYSA-N -2 3 395.391 2.620 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000822153022 606788190 /nfs/dbraw/zinc/78/81/90/606788190.db2.gz KKEKZRDTCCLTFB-UHFFFAOYSA-N -2 3 395.391 2.620 20 0 GFADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccccc1-c1ccccc1 ZINC000823589157 607026975 /nfs/dbraw/zinc/02/69/75/607026975.db2.gz QLCYACTUUGCPJD-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822435875 607156290 /nfs/dbraw/zinc/15/62/90/607156290.db2.gz DJZDLYPJEQEGHY-UHFFFAOYSA-N -2 3 378.483 2.631 20 0 GFADHL O=S(=O)([N-]c1cccc(Oc2cccc(-c3nnn[n-]3)n2)c1)c1ccccc1 ZINC000826493135 607900221 /nfs/dbraw/zinc/90/02/21/607900221.db2.gz VIMFZMLLVUPISE-UHFFFAOYSA-N -2 3 394.416 2.855 20 0 GFADHL O=S(=O)([N-]c1scnc1C1CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826493498 608095388 /nfs/dbraw/zinc/09/53/88/608095388.db2.gz NHKLWORMPPYQEY-UHFFFAOYSA-N -2 3 382.858 2.655 20 0 GFADHL O=S(=O)([N-]c1scnc1C1CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826493498 608095389 /nfs/dbraw/zinc/09/53/89/608095389.db2.gz NHKLWORMPPYQEY-UHFFFAOYSA-N -2 3 382.858 2.655 20 0 GFADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826332800 608107804 /nfs/dbraw/zinc/10/78/04/608107804.db2.gz IJNAJAIRCGQMOT-UHFFFAOYSA-N -2 3 395.876 2.715 20 0 GFADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826332800 608107805 /nfs/dbraw/zinc/10/78/05/608107805.db2.gz IJNAJAIRCGQMOT-UHFFFAOYSA-N -2 3 395.876 2.715 20 0 GFADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000124349816 608231424 /nfs/dbraw/zinc/23/14/24/608231424.db2.gz SWEGUJYHXGSXHC-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826451508 609259164 /nfs/dbraw/zinc/25/91/64/609259164.db2.gz JRQNVKBMHVNUFD-GFCCVEGCSA-N -2 3 380.191 2.551 20 0 GFADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826451508 609259166 /nfs/dbraw/zinc/25/91/66/609259166.db2.gz JRQNVKBMHVNUFD-GFCCVEGCSA-N -2 3 380.191 2.551 20 0 GFADHL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824319293 609424485 /nfs/dbraw/zinc/42/44/85/609424485.db2.gz LCSPUZHJPBUBCG-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824319293 609424487 /nfs/dbraw/zinc/42/44/87/609424487.db2.gz LCSPUZHJPBUBCG-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824024739 609467975 /nfs/dbraw/zinc/46/79/75/609467975.db2.gz NLMSBRLHUHKSLH-UHFFFAOYSA-N -2 3 395.803 2.663 20 0 GFADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824024739 609467977 /nfs/dbraw/zinc/46/79/77/609467977.db2.gz NLMSBRLHUHKSLH-UHFFFAOYSA-N -2 3 395.803 2.663 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000825643570 609523793 /nfs/dbraw/zinc/52/37/93/609523793.db2.gz QTDTZBMFRRXLKM-UHFFFAOYSA-N -2 3 379.829 2.720 20 0 GFADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826451784 660454689 /nfs/dbraw/zinc/45/46/89/660454689.db2.gz WKKQWHVUHUVNIY-UHFFFAOYSA-N -2 3 383.593 2.569 20 0 GFADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3SC(F)F)ccc21 ZINC000068215978 654957900 /nfs/dbraw/zinc/95/79/00/654957900.db2.gz NBUYEWLENZOSDD-UHFFFAOYSA-N -2 3 384.385 2.686 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccsc2)cc1F ZINC000134650140 654999779 /nfs/dbraw/zinc/99/97/79/654999779.db2.gz HTPILPVUEMPVBV-UHFFFAOYSA-N -2 3 378.472 2.840 20 0 GFADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000111403953 655172828 /nfs/dbraw/zinc/17/28/28/655172828.db2.gz DQMLZGJUGPUUKU-UHFFFAOYSA-N -2 3 390.280 2.730 20 0 GFADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])cc1Cl ZINC000275137639 655218872 /nfs/dbraw/zinc/21/88/72/655218872.db2.gz JMDBNXMVQVFCNI-MRVPVSSYSA-N -2 3 394.852 2.605 20 0 GFADHL O=C([N-]NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(F)cc1Br ZINC000186658389 655370872 /nfs/dbraw/zinc/37/08/72/655370872.db2.gz QKXVNTKJLFGFBJ-UHFFFAOYSA-N -2 3 389.127 2.647 20 0 GFADHL C#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000191056202 655396814 /nfs/dbraw/zinc/39/68/14/655396814.db2.gz RSWMXXOARPFCLQ-UHFFFAOYSA-N -2 3 378.837 2.552 20 0 GFADHL CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000579705302 655502671 /nfs/dbraw/zinc/50/26/71/655502671.db2.gz LCAFHECRZLGFAP-OQPBUACISA-N -2 3 390.870 2.549 20 0 GFADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000579708754 655502805 /nfs/dbraw/zinc/50/28/05/655502805.db2.gz NOZKMQRTSCKOOU-UHFFFAOYSA-N -2 3 389.886 2.666 20 0 GFADHL CSCC[C@@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000596031968 655513868 /nfs/dbraw/zinc/51/38/68/655513868.db2.gz IMZNRBTUCNPLBA-GFCCVEGCSA-N -2 3 386.520 2.603 20 0 GFADHL CC(C)c1cc(C[N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)on1 ZINC000761296627 656008888 /nfs/dbraw/zinc/00/88/88/656008888.db2.gz MOOAKAXJASAQHM-UHFFFAOYSA-N -2 3 376.793 2.767 20 0 GFADHL CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761315056 656010815 /nfs/dbraw/zinc/01/08/15/656010815.db2.gz ZWQPJICNRQEDAL-MRVPVSSYSA-N -2 3 398.264 2.558 20 0 GFADHL COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1F ZINC000769888913 656297377 /nfs/dbraw/zinc/29/73/77/656297377.db2.gz GLBGTTZMGXTIGC-UHFFFAOYSA-N -2 3 389.788 2.752 20 0 GFADHL O=C([O-])[C@H](CCC[N-]S(=O)(=O)c1cccnc1Cl)Cc1ccccc1 ZINC000790622685 658003854 /nfs/dbraw/zinc/00/38/54/658003854.db2.gz JIMOIWGNENBTHV-CQSZACIVSA-N -2 3 382.869 2.737 20 0 GFADHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000841780332 661312833 /nfs/dbraw/zinc/31/28/33/661312833.db2.gz RFLPBDRNHAWMTJ-GFCCVEGCSA-N -2 3 386.832 2.629 20 0 GFADHL C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844900654 661448432 /nfs/dbraw/zinc/44/84/32/661448432.db2.gz SQYMDYLCYOSBEN-QMMMGPOBSA-N -2 3 382.265 2.785 20 0 GFADHL COc1cnc([C@@H]2CCCN2C(=O)c2ccc(Br)c([O-])c2)[n-]c1=O ZINC000889789677 663267127 /nfs/dbraw/zinc/26/71/27/663267127.db2.gz IZTCPXBZJLUDAZ-NSHDSACASA-N -2 3 394.225 2.636 20 0 GFADHL O=C([O-])[C@@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3cnc(-c4ccccc4)s3)[C@@H]2C1 ZINC000903542509 663787906 /nfs/dbraw/zinc/78/79/06/663787906.db2.gz JWZQIJMXZVCEOI-SYQHCUMBSA-N -2 3 378.475 2.588 20 0 GFADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000398199977 677412286 /nfs/dbraw/zinc/41/22/86/677412286.db2.gz PIRMMZCEGLRSPS-JTQLQIEISA-N -2 3 384.198 2.613 20 0 GFADHL O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1)[C@@H]1CCCO1 ZINC000555530524 450598737 /nfs/dbraw/zinc/59/87/37/450598737.db2.gz QHOHWXIXXOPWLV-AWEZNQCLSA-N -2 3 396.852 2.964 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1Br ZINC000152448619 551432980 /nfs/dbraw/zinc/43/29/80/551432980.db2.gz ZMPNWNTUZMIVFW-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1Br ZINC000152448619 551432983 /nfs/dbraw/zinc/43/29/83/551432983.db2.gz ZMPNWNTUZMIVFW-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCC1 ZINC000152792093 551440263 /nfs/dbraw/zinc/44/02/63/551440263.db2.gz CZOQDPSZNQDOES-OAHLLOKOSA-N -2 3 392.518 2.834 20 0 GFADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000161798367 551598928 /nfs/dbraw/zinc/59/89/28/551598928.db2.gz LTWFHLTZUUMBMM-UHFFFAOYSA-N -2 3 380.235 2.510 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161827559 551599002 /nfs/dbraw/zinc/59/90/02/551599002.db2.gz FKKIPJJOPJYOFK-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1[O-] ZINC000175687342 552126682 /nfs/dbraw/zinc/12/66/82/552126682.db2.gz OAWVIWJADIPCML-UHFFFAOYSA-N -2 3 385.239 2.914 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000175771418 552128605 /nfs/dbraw/zinc/12/86/05/552128605.db2.gz IRWSXFMRLCNPRD-UHFFFAOYSA-N -2 3 390.433 2.754 20 0 GFADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CN1C1CC1 ZINC000185104343 552354120 /nfs/dbraw/zinc/35/41/20/552354120.db2.gz GPXAYEWWNBONLV-WPRPVWTQSA-N -2 3 393.292 2.595 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230102666 553064371 /nfs/dbraw/zinc/06/43/71/553064371.db2.gz ZSEXOOIZRPJAKZ-AAEUAGOBSA-N -2 3 380.235 2.510 20 0 GFADHL CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccsc1 ZINC000236902842 553072904 /nfs/dbraw/zinc/07/29/04/553072904.db2.gz BDPOOEHCSBSQPS-CYBMUJFWSA-N -2 3 388.536 2.869 20 0 GFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000262249929 553167875 /nfs/dbraw/zinc/16/78/75/553167875.db2.gz QFYFPNJDAXJGNF-VIFPVBQESA-N -2 3 382.251 2.613 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547570530 564496027 /nfs/dbraw/zinc/49/60/27/564496027.db2.gz WOZMEFHLHNYFLR-DGCLKSJQSA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000297232068 563320237 /nfs/dbraw/zinc/32/02/37/563320237.db2.gz PATGKPQDKPBYKN-GHMZBOCLSA-N -2 3 380.388 2.802 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000298676464 563363399 /nfs/dbraw/zinc/36/33/99/563363399.db2.gz VPRVAGAKXKABNV-UHFFFAOYSA-N -2 3 384.479 2.648 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000424374403 563377062 /nfs/dbraw/zinc/37/70/62/563377062.db2.gz YZTRNQMGDUGSSS-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000316732405 563441532 /nfs/dbraw/zinc/44/15/32/563441532.db2.gz BEULGCJRTZWQQG-NSHDSACASA-N -2 3 394.287 2.625 20 0 GFADHL CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000327380191 563458017 /nfs/dbraw/zinc/45/80/17/563458017.db2.gz FRTSEALROWWROK-UHFFFAOYSA-N -2 3 382.825 2.507 20 0 GFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000388255273 563520655 /nfs/dbraw/zinc/52/06/55/563520655.db2.gz UHQVWBVAVAJGBW-CABZTGNLSA-N -2 3 394.262 2.900 20 0 GFADHL COc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000389355630 563521822 /nfs/dbraw/zinc/52/18/22/563521822.db2.gz LWOMBQQZEBBVNC-UHFFFAOYSA-N -2 3 386.223 2.957 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)CC1CC1 ZINC000405229583 563538738 /nfs/dbraw/zinc/53/87/38/563538738.db2.gz QHGKICFLFZPQLU-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL CC(C)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000331219123 563540829 /nfs/dbraw/zinc/54/08/29/563540829.db2.gz SMVLXOJZWFDAQK-UHFFFAOYSA-N -2 3 380.507 2.548 20 0 GFADHL COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1Cl ZINC000431181886 563555944 /nfs/dbraw/zinc/55/59/44/563555944.db2.gz UCQHMQQBFXPGTC-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000432950657 563598276 /nfs/dbraw/zinc/59/82/76/563598276.db2.gz TVPIBXWLWGUHNQ-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000432950657 563598278 /nfs/dbraw/zinc/59/82/78/563598278.db2.gz TVPIBXWLWGUHNQ-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436479429 563671841 /nfs/dbraw/zinc/67/18/41/563671841.db2.gz QYGWVNVNZFWPTK-UHFFFAOYSA-N -2 3 375.324 2.998 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c1 ZINC000437002411 563688415 /nfs/dbraw/zinc/68/84/15/563688415.db2.gz MTRZQTWSIZLTJL-UHFFFAOYSA-N -3 3 378.189 2.904 20 0 GFADHL CN(CCNC(=O)c1cc(Cl)ccc1[O-])C(=O)c1cc(Cl)ccc1[O-] ZINC000438380409 563704900 /nfs/dbraw/zinc/70/49/00/563704900.db2.gz YKESPVVGXQFPOI-UHFFFAOYSA-N -2 3 383.231 2.907 20 0 GFADHL CCc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1C ZINC000538755129 564200019 /nfs/dbraw/zinc/20/00/19/564200019.db2.gz ZIFALYWCWZTAAA-UHFFFAOYSA-N -2 3 386.470 2.869 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000538831298 564202339 /nfs/dbraw/zinc/20/23/39/564202339.db2.gz RXODWWPEFBFEQS-UHFFFAOYSA-N -2 3 381.262 2.678 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)s1 ZINC000539408802 564219262 /nfs/dbraw/zinc/21/92/62/564219262.db2.gz YBHBPZNSVWPWRR-GUYCJALGSA-N -2 3 380.491 2.853 20 0 GFADHL Cc1nc(C=Cc2cn3ccc(Br)cc3n2)[n-]c(=O)c1CC(=O)[O-] ZINC000564550344 564238425 /nfs/dbraw/zinc/23/84/25/564238425.db2.gz MTVKOOOXPMBYKX-NSCUHMNNSA-N -2 3 389.209 2.698 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1ccsc1 ZINC000542840967 564328978 /nfs/dbraw/zinc/32/89/78/564328978.db2.gz QRUDMMKSDCHXGK-LLVKDONJSA-N -2 3 394.243 2.754 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)cc1C(=O)[O-] ZINC000542860044 564329634 /nfs/dbraw/zinc/32/96/34/564329634.db2.gz ZTKLULALYOPLKG-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000567564522 564377590 /nfs/dbraw/zinc/37/75/90/564377590.db2.gz XHBFGJYCRMUFDB-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)sc1C(=O)[O-] ZINC000569453380 564463881 /nfs/dbraw/zinc/46/38/81/564463881.db2.gz WLJKEKQKVWDIIF-ZETCQYMHSA-N -2 3 395.384 2.603 20 0 GFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000515739943 564486322 /nfs/dbraw/zinc/48/63/22/564486322.db2.gz QUWSRHOYIMXNDW-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL CCc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C(=O)[O-])cc1 ZINC000547550353 564493076 /nfs/dbraw/zinc/49/30/76/564493076.db2.gz QGNSILXCUJLQOE-MRXNPFEDSA-N -2 3 378.837 2.878 20 0 GFADHL Cc1nc(CC[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)sc1C(=O)[O-] ZINC000547556426 564494455 /nfs/dbraw/zinc/49/44/55/564494455.db2.gz RHLDAXGFZBQNEZ-UHFFFAOYSA-N -2 3 392.861 2.772 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000547573051 564496443 /nfs/dbraw/zinc/49/64/43/564496443.db2.gz IZZCPAIIKVEINN-CYBMUJFWSA-N -2 3 375.780 2.592 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1c(F)cccc1F ZINC000547612602 564502298 /nfs/dbraw/zinc/50/22/98/564502298.db2.gz MMCWMHPYOXSQCC-AWEZNQCLSA-N -2 3 384.385 2.679 20 0 GFADHL CC1([C@H]([N-]S(=O)(=O)c2cncc(Br)c2)C(=O)[O-])CCCCC1 ZINC000547702031 564507707 /nfs/dbraw/zinc/50/77/07/564507707.db2.gz STUSNTOWRXCQRZ-GFCCVEGCSA-N -2 3 391.287 2.546 20 0 GFADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000547869280 564514307 /nfs/dbraw/zinc/51/43/07/564514307.db2.gz DNDBBZKRCQZYKY-FZMZJTMJSA-N -2 3 387.479 2.580 20 0 GFADHL COc1cc(OC)c([N-]S(=O)(=O)Cc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000547872161 564514536 /nfs/dbraw/zinc/51/45/36/564514536.db2.gz QKSZIHMHAWTADM-UHFFFAOYSA-N -2 3 385.825 2.997 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000547879571 564515284 /nfs/dbraw/zinc/51/52/84/564515284.db2.gz VUIOYTJYNMBECC-JTQLQIEISA-N -2 3 389.260 2.610 20 0 GFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000547872879 564515459 /nfs/dbraw/zinc/51/54/59/564515459.db2.gz QNVKFQOMXVGCGR-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1cccc(Cl)c1 ZINC000547881925 564515850 /nfs/dbraw/zinc/51/58/50/564515850.db2.gz LHJMAEJWQLUPLW-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547886686 564515868 /nfs/dbraw/zinc/51/58/68/564515868.db2.gz HLDHOQUDTUGRBL-NSHDSACASA-N -2 3 391.829 2.545 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1c(F)cccc1F ZINC000547932416 564522956 /nfs/dbraw/zinc/52/29/56/564522956.db2.gz BYOVNXVNCJEHMC-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2Cl)C(=O)[O-])s1 ZINC000548207982 564536660 /nfs/dbraw/zinc/53/66/60/564536660.db2.gz QXCHJZOTCZQBJD-NSHDSACASA-N -2 3 388.898 2.581 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])s1 ZINC000548205150 564536958 /nfs/dbraw/zinc/53/69/58/564536958.db2.gz ICLGJQBZRBJCLR-NSHDSACASA-N -2 3 388.898 2.581 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000548263199 564544305 /nfs/dbraw/zinc/54/43/05/564544305.db2.gz SPYKBBOEOOLLLO-ZDUSSCGKSA-N -2 3 383.853 2.885 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000548265445 564545310 /nfs/dbraw/zinc/54/53/10/564545310.db2.gz BUDRQEZQWWEJJN-AWEZNQCLSA-N -2 3 391.779 2.731 20 0 GFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000548291086 564547452 /nfs/dbraw/zinc/54/74/52/564547452.db2.gz JNSDMYDNWBDRCF-MRVPVSSYSA-N -2 3 382.251 2.756 20 0 GFADHL CCc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C(=O)[O-])cc1 ZINC000548529302 564555384 /nfs/dbraw/zinc/55/53/84/564555384.db2.gz LAGSEIXXWPFOIA-CYBMUJFWSA-N -2 3 388.239 2.709 20 0 GFADHL COc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000548578738 564563809 /nfs/dbraw/zinc/56/38/09/564563809.db2.gz AJQWUKRRGWBVOG-CYBMUJFWSA-N -2 3 387.816 2.982 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000548587952 564564793 /nfs/dbraw/zinc/56/47/93/564564793.db2.gz DNOLZKAJKKSITQ-NSHDSACASA-N -2 3 379.818 2.653 20 0 GFADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)n[n-]1 ZINC000548686714 564570143 /nfs/dbraw/zinc/57/01/43/564570143.db2.gz RJPNHQGBXIKLRT-UHFFFAOYSA-N -2 3 381.307 2.545 20 0 GFADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000572552117 564600035 /nfs/dbraw/zinc/60/00/35/564600035.db2.gz HCXJJNNTCBNJJK-SNVBAGLBSA-N -2 3 385.335 2.646 20 0 GFADHL COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000572794966 564610214 /nfs/dbraw/zinc/61/02/14/564610214.db2.gz HLHHMHFSUOJJQJ-UHFFFAOYSA-N -2 3 388.804 2.953 20 0 GFADHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-])C1CC1 ZINC000573545548 564643121 /nfs/dbraw/zinc/64/31/21/564643121.db2.gz RSWHNEOFAJQVMF-MADCSZMMSA-N -2 3 396.690 2.880 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000574499893 564676431 /nfs/dbraw/zinc/67/64/31/564676431.db2.gz OWRKJHVSDKZXOL-CHWSQXEVSA-N -2 3 391.287 2.546 20 0 GFADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)s1 ZINC000577225404 564729605 /nfs/dbraw/zinc/72/96/05/564729605.db2.gz SADQQTLGPDKHLR-UHFFFAOYSA-N -2 3 380.491 2.761 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2Br)c(O)c1 ZINC000554530876 564763938 /nfs/dbraw/zinc/76/39/38/564763938.db2.gz PWUDEJWBBVWNFW-UHFFFAOYSA-N -2 3 386.223 2.795 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2Br)c([O-])c1 ZINC000554530876 564763941 /nfs/dbraw/zinc/76/39/41/564763941.db2.gz PWUDEJWBBVWNFW-UHFFFAOYSA-N -3 3 386.223 2.795 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCC1 ZINC000554531085 564764119 /nfs/dbraw/zinc/76/41/19/564764119.db2.gz ILFPLUAHYYTSOV-UHFFFAOYSA-N -2 3 385.335 2.648 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000555773766 564804233 /nfs/dbraw/zinc/80/42/33/564804233.db2.gz MRRSBCKEPNOACT-CYBMUJFWSA-N -2 3 380.491 2.641 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000581566764 564807955 /nfs/dbraw/zinc/80/79/55/564807955.db2.gz DDJUICAFFAOJKD-WDEREUQCSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000582838539 564864445 /nfs/dbraw/zinc/86/44/45/564864445.db2.gz DDLHYLQLVAJNTQ-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(F)(F)F ZINC000560481292 564964709 /nfs/dbraw/zinc/96/47/09/564964709.db2.gz WTAXTAFRPZOXJN-JTQLQIEISA-N -2 3 379.331 2.910 20 0 GFADHL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)OCO2 ZINC000560481778 564964788 /nfs/dbraw/zinc/96/47/88/564964788.db2.gz VIGWZLVMBXWMSX-SECBINFHSA-N -2 3 377.365 2.681 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCCOc1ccc(C)cc1 ZINC000584716130 565093044 /nfs/dbraw/zinc/09/30/44/565093044.db2.gz BVWYMEDJWZDYFT-UHFFFAOYSA-N -2 3 385.463 2.511 20 0 GFADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1ccccc1OC(F)F)C(F)(F)F ZINC000663294087 565408006 /nfs/dbraw/zinc/40/80/06/565408006.db2.gz NXFAUYPMAAVQQC-MRVPVSSYSA-N -2 3 391.314 2.610 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000645947404 565578143 /nfs/dbraw/zinc/57/81/43/565578143.db2.gz DQAZXTJWKRXNEY-YUMQZZPRSA-N -2 3 387.401 2.854 20 0 GFADHL O=C(N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)c1cc([O-])ccc1Cl ZINC000645984891 565580285 /nfs/dbraw/zinc/58/02/85/565580285.db2.gz PBFDGEDQQIWOSQ-CYBMUJFWSA-N -2 3 382.182 2.871 20 0 GFADHL O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cc([O-])ccc1Cl ZINC000645984891 565580290 /nfs/dbraw/zinc/58/02/90/565580290.db2.gz PBFDGEDQQIWOSQ-CYBMUJFWSA-N -2 3 382.182 2.871 20 0 GFADHL CC[C@@](C)([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)c1nc(C)cs1 ZINC000645977934 565580403 /nfs/dbraw/zinc/58/04/03/565580403.db2.gz NQSYQJPOUQJDFN-CQSZACIVSA-N -2 3 390.508 2.824 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000645994137 565581691 /nfs/dbraw/zinc/58/16/91/565581691.db2.gz ZHXJGZAYYHMTEP-MEBBXXQBSA-N -2 3 381.475 2.975 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000650425354 565820569 /nfs/dbraw/zinc/82/05/69/565820569.db2.gz DHBWOMTWEWJQED-ZETCQYMHSA-N -2 3 382.663 2.634 20 0 GFADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000629296156 565837109 /nfs/dbraw/zinc/83/71/09/565837109.db2.gz WBLZSIVIJREFIS-VIFPVBQESA-N -2 3 392.271 2.765 20 0 GFADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000681578150 566114218 /nfs/dbraw/zinc/11/42/18/566114218.db2.gz BRJOHNYYOVWYDX-PWSUYJOCSA-N -2 3 384.281 2.503 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1c(F)cccc1F ZINC000681578444 566114850 /nfs/dbraw/zinc/11/48/50/566114850.db2.gz CLMJHNJSWCTQII-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736325641 598842756 /nfs/dbraw/zinc/84/27/56/598842756.db2.gz GIUDHMJDTQRMRN-NSHDSACASA-N -2 3 391.428 2.984 20 0 GFADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736325641 598842757 /nfs/dbraw/zinc/84/27/57/598842757.db2.gz GIUDHMJDTQRMRN-NSHDSACASA-N -2 3 391.428 2.984 20 0 GFADHL O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000738342134 598867437 /nfs/dbraw/zinc/86/74/37/598867437.db2.gz LXLYZEDTQUGYQN-UHFFFAOYSA-N -2 3 394.416 2.855 20 0 GFADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738342892 598951144 /nfs/dbraw/zinc/95/11/44/598951144.db2.gz SDXJFLKFBUMDQF-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738342892 598951145 /nfs/dbraw/zinc/95/11/45/598951145.db2.gz SDXJFLKFBUMDQF-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1csc2ccccc12 ZINC000737299539 598975257 /nfs/dbraw/zinc/97/52/57/598975257.db2.gz ROUPAQNBLBHSAY-UHFFFAOYSA-N -2 3 399.457 2.509 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1csc2ccccc12 ZINC000737299539 598975258 /nfs/dbraw/zinc/97/52/58/598975258.db2.gz ROUPAQNBLBHSAY-UHFFFAOYSA-N -2 3 399.457 2.509 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736444134 599218393 /nfs/dbraw/zinc/21/83/93/599218393.db2.gz DMQYPWIXNMEXAR-ZDUSSCGKSA-N -2 3 379.486 2.668 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736444134 599218395 /nfs/dbraw/zinc/21/83/95/599218395.db2.gz DMQYPWIXNMEXAR-ZDUSSCGKSA-N -2 3 379.486 2.668 20 0 GFADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000820198423 599233001 /nfs/dbraw/zinc/23/30/01/599233001.db2.gz VJRWXKIBOCBHGG-UHFFFAOYSA-N -2 3 384.874 2.901 20 0 GFADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000820198423 599233004 /nfs/dbraw/zinc/23/30/04/599233004.db2.gz VJRWXKIBOCBHGG-UHFFFAOYSA-N -2 3 384.874 2.901 20 0 GFADHL O=C([O-])C1(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)Cc2ccccc2C1 ZINC000737808788 598370385 /nfs/dbraw/zinc/37/03/85/598370385.db2.gz RJWNTAVZFXXDAL-UHFFFAOYSA-N -2 3 397.822 2.719 20 0 GFADHL O=C([O-])C1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)Cc2ccccc2C1 ZINC000737808788 598370386 /nfs/dbraw/zinc/37/03/86/598370386.db2.gz RJWNTAVZFXXDAL-UHFFFAOYSA-N -2 3 397.822 2.719 20 0 GFADHL C[C@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736262111 598414718 /nfs/dbraw/zinc/41/47/18/598414718.db2.gz MGYSMJZHWYCYTQ-QWRGUYRKSA-N -2 3 397.888 2.541 20 0 GFADHL C[C@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736262111 598414720 /nfs/dbraw/zinc/41/47/20/598414720.db2.gz MGYSMJZHWYCYTQ-QWRGUYRKSA-N -2 3 397.888 2.541 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(COCC(F)(F)F)cc2)o1 ZINC000571521287 599767808 /nfs/dbraw/zinc/76/78/08/599767808.db2.gz YWMPBUWLENXVCD-UHFFFAOYSA-N -2 3 393.339 2.535 20 0 GFADHL CC(C)COC[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccco1 ZINC000584588721 600229681 /nfs/dbraw/zinc/22/96/81/600229681.db2.gz YPLQLYZWGGSNBD-INIZCTEOSA-N -2 3 381.450 2.811 20 0 GFADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1OC ZINC000737867314 600300323 /nfs/dbraw/zinc/30/03/23/600300323.db2.gz IKNFVULSPRPIJJ-UHFFFAOYSA-N -2 3 394.449 2.923 20 0 GFADHL O=C([O-])c1sc2cccc(F)c2c1COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000740290583 600368190 /nfs/dbraw/zinc/36/81/90/600368190.db2.gz OYIKPXUWPNDBHF-UHFFFAOYSA-N -2 3 399.355 2.979 20 0 GFADHL COc1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000738040044 600420290 /nfs/dbraw/zinc/42/02/90/600420290.db2.gz QDFULTQBNYVQCA-HNNXBMFYSA-N -2 3 384.841 2.958 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1C(=O)[O-] ZINC000614775841 600543288 /nfs/dbraw/zinc/54/32/88/600543288.db2.gz GKMKSCMOIBNSKY-UHFFFAOYSA-N -2 3 390.417 2.543 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)o1 ZINC000115896222 600686304 /nfs/dbraw/zinc/68/63/04/600686304.db2.gz CRINVMIWKRAMOM-UHFFFAOYSA-N -2 3 382.138 2.819 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CC2)o1 ZINC000740174172 600726769 /nfs/dbraw/zinc/72/67/69/600726769.db2.gz UUBZBNLKWMFXTF-UHFFFAOYSA-N -2 3 386.223 2.708 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)ccc1C(=O)[O-] ZINC000506710079 600889908 /nfs/dbraw/zinc/88/99/08/600889908.db2.gz CJRQUWRWJCOULH-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000827374398 601212319 /nfs/dbraw/zinc/21/23/19/601212319.db2.gz HOTIRLOTXIDTBK-LBPRGKRZSA-N -2 3 376.840 2.820 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)nc2)cc1C(=O)[O-] ZINC000833026403 601220131 /nfs/dbraw/zinc/22/01/31/601220131.db2.gz AAROXPQQXRWDEX-UHFFFAOYSA-N -2 3 394.449 2.871 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)c1F ZINC000833293716 601233102 /nfs/dbraw/zinc/23/31/02/601233102.db2.gz GEMATGWDZXPPAH-UHFFFAOYSA-N -2 3 396.415 2.742 20 0 GFADHL Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)s1 ZINC000325067119 601236820 /nfs/dbraw/zinc/23/68/20/601236820.db2.gz UZLBUVNANPINEQ-QMMMGPOBSA-N -2 3 375.418 2.942 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)c1F ZINC000833295309 601237817 /nfs/dbraw/zinc/23/78/17/601237817.db2.gz PCGDYELXFMJILC-UHFFFAOYSA-N -2 3 388.417 2.867 20 0 GFADHL COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832600951 601238460 /nfs/dbraw/zinc/23/84/60/601238460.db2.gz CAZLMHWJHPHRFJ-KSSFIOAISA-N -2 3 397.399 2.680 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)ccc1F ZINC000055649391 601323665 /nfs/dbraw/zinc/32/36/65/601323665.db2.gz DJQKBUSYVBBGBB-UHFFFAOYSA-N -2 3 379.344 2.650 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)ccc1F ZINC000738678194 601360074 /nfs/dbraw/zinc/36/00/74/601360074.db2.gz AIZDSVWVLPROSY-UHFFFAOYSA-N -2 3 379.344 2.650 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000827760633 601385132 /nfs/dbraw/zinc/38/51/32/601385132.db2.gz MBZDCQLUYGICPU-JTQLQIEISA-N -2 3 397.428 2.994 20 0 GFADHL CCCCc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2[nH]1 ZINC000532291031 601485255 /nfs/dbraw/zinc/48/52/55/601485255.db2.gz HYVYYKKMNVTGQI-UHFFFAOYSA-N -2 3 376.438 2.743 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(CSCC(=O)[O-])c1 ZINC000832867731 601861573 /nfs/dbraw/zinc/86/15/73/601861573.db2.gz DCYHZTNHQCPNMV-UHFFFAOYSA-N -3 3 395.458 2.812 20 0 GFADHL C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329773 602146560 /nfs/dbraw/zinc/14/65/60/602146560.db2.gz ODVOMFJIUPZWPR-ZETCQYMHSA-N -2 3 394.268 2.711 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000532845657 602321248 /nfs/dbraw/zinc/32/12/48/602321248.db2.gz ZTLJMSQZAVKCDD-UHFFFAOYSA-N -2 3 383.397 2.658 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)ccc1F ZINC000738560474 602778758 /nfs/dbraw/zinc/77/87/58/602778758.db2.gz IYVNDNGMTXEXDF-UHFFFAOYSA-N -2 3 385.348 2.814 20 0 GFADHL C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823723925 603284111 /nfs/dbraw/zinc/28/41/11/603284111.db2.gz NSJITXRKHOQUNS-LRDDRELGSA-N -2 3 391.449 2.642 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)c(Br)o1 ZINC000315294391 604660021 /nfs/dbraw/zinc/66/00/21/604660021.db2.gz XDSOJUMRQUIIIM-HACHORDNSA-N -2 3 378.244 2.597 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)c1F ZINC000833295369 604661995 /nfs/dbraw/zinc/66/19/95/604661995.db2.gz SMKJFDMZJKKOSP-LLVKDONJSA-N -2 3 389.420 2.823 20 0 GFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832794192 604960604 /nfs/dbraw/zinc/96/06/04/604960604.db2.gz DZSBUNGOYJXMLB-UHFFFAOYSA-N -2 3 383.813 2.582 20 0 GFADHL CC(C)(C)[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833422528 605715141 /nfs/dbraw/zinc/71/51/41/605715141.db2.gz FSQAFPBSLGWSLE-IEBWSBKVSA-N -2 3 398.459 2.869 20 0 GFADHL CSc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821990799 606864320 /nfs/dbraw/zinc/86/43/20/606864320.db2.gz WIEHFQZNNONFHD-UHFFFAOYSA-N -2 3 383.405 2.668 20 0 GFADHL CSc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821990799 606864322 /nfs/dbraw/zinc/86/43/22/606864322.db2.gz WIEHFQZNNONFHD-UHFFFAOYSA-N -2 3 383.405 2.668 20 0 GFADHL CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1n[nH]c2cc(C(=O)[O-])ccc21 ZINC000825352670 608227375 /nfs/dbraw/zinc/22/73/75/608227375.db2.gz OXISWDQSKDDGFM-UHFFFAOYSA-N -2 3 388.391 2.868 20 0 GFADHL O=C(c1c([O-])cc(F)cc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826468820 608561240 /nfs/dbraw/zinc/56/12/40/608561240.db2.gz JDUGXBYJWPQVGH-UHFFFAOYSA-N -2 3 383.358 2.780 20 0 GFADHL O=C(c1c([O-])cc(F)cc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826468820 608561241 /nfs/dbraw/zinc/56/12/41/608561241.db2.gz JDUGXBYJWPQVGH-UHFFFAOYSA-N -2 3 383.358 2.780 20 0 GFADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826451712 609259227 /nfs/dbraw/zinc/25/92/27/609259227.db2.gz SHDSWCOGDARSCF-LBPRGKRZSA-N -2 3 380.191 2.551 20 0 GFADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826451712 609259228 /nfs/dbraw/zinc/25/92/28/609259228.db2.gz SHDSWCOGDARSCF-LBPRGKRZSA-N -2 3 380.191 2.551 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1Cl ZINC000063476349 654853314 /nfs/dbraw/zinc/85/33/14/654853314.db2.gz PVSLAARAGCVQOK-UHFFFAOYSA-N -2 3 385.825 2.921 20 0 GFADHL CSCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000275005221 655211118 /nfs/dbraw/zinc/21/11/18/655211118.db2.gz BCHRUOMMKNJTKM-SECBINFHSA-N -2 3 391.820 2.843 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cc1Cl ZINC000275335939 655230435 /nfs/dbraw/zinc/23/04/35/655230435.db2.gz USWBWAYRTUOTRW-SSDOTTSWSA-N -2 3 396.170 2.686 20 0 GFADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000575102021 655435690 /nfs/dbraw/zinc/43/56/90/655435690.db2.gz KRSKBCYGIJFIJM-UHFFFAOYSA-N -2 3 386.470 2.658 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC1CCCC1 ZINC000776554147 656757326 /nfs/dbraw/zinc/75/73/26/656757326.db2.gz ALWZZURYGNOMAK-SNVBAGLBSA-N -2 3 381.281 2.948 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c(Cl)cc1Cl ZINC000776570540 656760191 /nfs/dbraw/zinc/76/01/91/656760191.db2.gz DCPAFBQUKSBXOC-UHFFFAOYSA-N -2 3 398.264 2.559 20 0 GFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000776617815 656768141 /nfs/dbraw/zinc/76/81/41/656768141.db2.gz VCUUYIKJBXJCHJ-GMSGAONNSA-N -2 3 384.317 2.987 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000776628916 656771690 /nfs/dbraw/zinc/77/16/90/656771690.db2.gz WHIDBIBPHXBSJE-CQSZACIVSA-N -2 3 398.264 2.559 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(O)c2F)cc1C(=O)[O-] ZINC000790397334 657967716 /nfs/dbraw/zinc/96/77/16/657967716.db2.gz CQVWYOZEGGNVGA-UHFFFAOYSA-N -2 3 375.761 2.692 20 0 GFADHL CO[C@](C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CC1 ZINC000812459169 660027347 /nfs/dbraw/zinc/02/73/47/660027347.db2.gz WHMCRVPCBARXRR-CQSZACIVSA-N -2 3 382.265 2.785 20 0 GFADHL CSc1ccc([O-])c(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000855053202 661967829 /nfs/dbraw/zinc/96/78/29/661967829.db2.gz ZMYIOFNALXXWBH-BXKDBHETSA-N -2 3 376.400 2.786 20 0 GFADHL CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000926478782 664690528 /nfs/dbraw/zinc/69/05/28/664690528.db2.gz OUUISXGZLPYEKD-SECBINFHSA-N -2 3 387.351 2.544 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1cccs1 ZINC000125282277 551321556 /nfs/dbraw/zinc/32/15/56/551321556.db2.gz VFYNJARQYXBSDW-SECBINFHSA-N -2 3 382.282 2.676 20 0 GFADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156563166 551524933 /nfs/dbraw/zinc/52/49/33/551524933.db2.gz JNWVXNCCZFUEET-UHFFFAOYSA-N -2 3 394.269 2.774 20 0 GFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1 ZINC000185044528 552352590 /nfs/dbraw/zinc/35/25/90/552352590.db2.gz KKSDEPBLVHFBID-UHFFFAOYSA-N -2 3 398.359 2.786 20 0 GFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230099472 553064213 /nfs/dbraw/zinc/06/42/13/553064213.db2.gz YCLPPEMWWPIEBT-NSHDSACASA-N -2 3 382.251 2.756 20 0 GFADHL CC[C@H](C)[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236986675 553073809 /nfs/dbraw/zinc/07/38/09/553073809.db2.gz DTKQHHCRCGJIEP-RTHLEPHNSA-N -2 3 381.226 2.520 20 0 GFADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000262313586 553169248 /nfs/dbraw/zinc/16/92/48/553169248.db2.gz OOZLUEGYMLLGJB-UHFFFAOYSA-N -2 3 385.335 2.646 20 0 GFADHL CC[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-])OC ZINC000421147770 563297818 /nfs/dbraw/zinc/29/78/18/563297818.db2.gz FXOXGCYKZABFOX-VIFPVBQESA-N -2 3 380.260 2.622 20 0 GFADHL COc1cc(S(=O)(=O)[N-]CCCC(F)(F)F)c(Cl)cc1C(=O)[O-] ZINC000282206495 563401837 /nfs/dbraw/zinc/40/18/37/563401837.db2.gz PCUAWLQQCUILPX-UHFFFAOYSA-N -2 3 375.752 2.668 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000317103267 563442498 /nfs/dbraw/zinc/44/24/98/563442498.db2.gz CGBWENRRQOYMGW-UHFFFAOYSA-N -2 3 386.223 2.957 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000318149711 563442961 /nfs/dbraw/zinc/44/29/61/563442961.db2.gz WFPJZLTUWRVCCJ-TZMCWYRMSA-N -2 3 394.262 2.900 20 0 GFADHL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(Cl)cccc3C(=O)[O-])cc21 ZINC000327702478 563459405 /nfs/dbraw/zinc/45/94/05/563459405.db2.gz XNEAQQODOHLIKC-MRVPVSSYSA-N -2 3 380.809 2.895 20 0 GFADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1cnc2ccsc2c1)C(F)(F)F ZINC000285050583 563500948 /nfs/dbraw/zinc/50/09/48/563500948.db2.gz JPGDKGFSHZJFPJ-QMMMGPOBSA-N -2 3 382.385 2.618 20 0 GFADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2c(Cl)cc(F)cc2Cl)s1 ZINC000431477885 563560484 /nfs/dbraw/zinc/56/04/84/563560484.db2.gz NLVXMFOFKNWCFD-UHFFFAOYSA-N -2 3 385.229 2.608 20 0 GFADHL C[C@H](CF)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436839178 563680892 /nfs/dbraw/zinc/68/08/92/563680892.db2.gz MVIRHGMFDFBPIE-SNVBAGLBSA-N -2 3 386.832 2.934 20 0 GFADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(Cl)c1 ZINC000438764055 563710164 /nfs/dbraw/zinc/71/01/64/563710164.db2.gz JAMVQEZCJZINQW-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL COc1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc(Cl)c1[O-] ZINC000443132844 563793173 /nfs/dbraw/zinc/79/31/73/563793173.db2.gz MRPNQHDKNLRUKB-UHFFFAOYSA-N -2 3 388.804 2.817 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc(C(=O)[O-])c1C ZINC000471111455 564185610 /nfs/dbraw/zinc/18/56/10/564185610.db2.gz DQYNGSNPEVMDSN-XMMPIXPASA-N -2 3 381.475 2.681 20 0 GFADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000471907530 564207036 /nfs/dbraw/zinc/20/70/36/564207036.db2.gz BFVXBPQODRPIHL-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000471907530 564207038 /nfs/dbraw/zinc/20/70/38/564207038.db2.gz BFVXBPQODRPIHL-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CC(C)(C)OC1(C)C ZINC000563955260 564214371 /nfs/dbraw/zinc/21/43/71/564214371.db2.gz VPISZZQVXRYYKI-LBPRGKRZSA-N -2 3 391.873 2.671 20 0 GFADHL COCCOCCS(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000539239310 564214721 /nfs/dbraw/zinc/21/47/21/564214721.db2.gz SPECOOSGWNAAPM-UHFFFAOYSA-N -2 3 385.463 2.518 20 0 GFADHL COc1cc(NC(=O)Cc2ccc([O-])cc2Cl)ccc1[N-]S(C)(=O)=O ZINC000508623181 564268799 /nfs/dbraw/zinc/26/87/99/564268799.db2.gz UZBINWJFCGPPQA-UHFFFAOYSA-N -2 3 384.841 2.607 20 0 GFADHL CCCC(C)(C)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451137446 564279009 /nfs/dbraw/zinc/27/90/09/564279009.db2.gz ULNQEWJSQNBNPQ-UHFFFAOYSA-N -2 3 380.507 2.834 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541910291 564294412 /nfs/dbraw/zinc/29/44/12/564294412.db2.gz SIULDCJJXOERAT-SMDDNHRTSA-N -2 3 394.262 2.900 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2(CC)CCC2)c(F)c1 ZINC000451281382 564295819 /nfs/dbraw/zinc/29/58/19/564295819.db2.gz YPEZIZGEZJYTHG-UHFFFAOYSA-N -2 3 378.491 2.588 20 0 GFADHL CCn1cc(S(=O)(=O)[N-]Cc2c(C(=O)[O-])sc3ccsc32)nc1C ZINC000566178579 564314626 /nfs/dbraw/zinc/31/46/26/564314626.db2.gz ZQJHGPSKVWEFSG-UHFFFAOYSA-N -2 3 385.492 2.664 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1ccsc1 ZINC000542840968 564328556 /nfs/dbraw/zinc/32/85/56/564328556.db2.gz QRUDMMKSDCHXGK-NSHDSACASA-N -2 3 394.243 2.754 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000567046001 564354349 /nfs/dbraw/zinc/35/43/49/564354349.db2.gz NEUAHKWYYSXGCZ-LLVKDONJSA-N -2 3 392.861 2.992 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000547611298 564502781 /nfs/dbraw/zinc/50/27/81/564502781.db2.gz BBYNQELDDCTNEF-VXGBXAGGSA-N -2 3 390.845 2.950 20 0 GFADHL O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000547614789 564503176 /nfs/dbraw/zinc/50/31/76/564503176.db2.gz YKTZDGYRBKCGPO-CQSZACIVSA-N -2 3 393.770 2.732 20 0 GFADHL CC1([C@@H]([N-]S(=O)(=O)c2cncc(Br)c2)C(=O)[O-])CCCCC1 ZINC000547702032 564507915 /nfs/dbraw/zinc/50/79/15/564507915.db2.gz STUSNTOWRXCQRZ-LBPRGKRZSA-N -2 3 391.287 2.546 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]Cc1cc(C)nc(C)c1 ZINC000570512287 564509864 /nfs/dbraw/zinc/50/98/64/564509864.db2.gz HZWKXINGVGVKAD-UHFFFAOYSA-N -2 3 384.841 2.537 20 0 GFADHL CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000516767540 564511502 /nfs/dbraw/zinc/51/15/02/564511502.db2.gz ULKHLHYRXKTMFF-GFCCVEGCSA-N -2 3 380.507 2.690 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)Cc1ccccc1Cl ZINC000547880511 564516104 /nfs/dbraw/zinc/51/61/04/564516104.db2.gz NUXAOZYGUCQASY-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000547894037 564517592 /nfs/dbraw/zinc/51/75/92/564517592.db2.gz GAXKBUHYYZENQG-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1Cl ZINC000548198456 564535583 /nfs/dbraw/zinc/53/55/83/564535583.db2.gz SVJFRFZMKFQPNJ-UHFFFAOYSA-N -3 3 385.781 2.546 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)Cc1cccnc1 ZINC000548229239 564539878 /nfs/dbraw/zinc/53/98/78/564539878.db2.gz RYIQRINOPCELEL-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL Cc1nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1C ZINC000548235638 564540554 /nfs/dbraw/zinc/54/05/54/564540554.db2.gz MLKNBZKQIPUBOS-GFCCVEGCSA-N -2 3 392.264 2.530 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(F)cccc2F)cc1F ZINC000548266410 564545444 /nfs/dbraw/zinc/54/54/44/564545444.db2.gz XMIZVWVFJOWEJN-CQSZACIVSA-N -2 3 377.315 2.656 20 0 GFADHL COc1ccc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])cc1F ZINC000548554326 564559559 /nfs/dbraw/zinc/55/95/59/564559559.db2.gz GVUAWYKHRBDOMA-AWEZNQCLSA-N -2 3 391.779 2.731 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)sc1Br ZINC000519348484 564575326 /nfs/dbraw/zinc/57/53/26/564575326.db2.gz UCJCZNVEWAGTRA-GMSGAONNSA-N -2 3 382.301 2.597 20 0 GFADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC)c1nccs1 ZINC000519766276 564590581 /nfs/dbraw/zinc/59/05/81/564590581.db2.gz LZCYQJMWYIXAHX-HNNXBMFYSA-N -2 3 388.442 2.593 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000520352598 564602808 /nfs/dbraw/zinc/60/28/08/564602808.db2.gz NKPRABSPQFHDNX-PSASIEDQSA-N -2 3 396.690 2.882 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000485063124 564605747 /nfs/dbraw/zinc/60/57/47/564605747.db2.gz MFXIFIXCVWQUEC-LBPRGKRZSA-N -2 3 391.873 2.684 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000572997853 564618775 /nfs/dbraw/zinc/61/87/75/564618775.db2.gz SMSGFCXDSRFCEW-UHFFFAOYSA-N -2 3 391.873 2.674 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@H](CCSc2ccccc2)C(=O)[O-])s1 ZINC000579656799 564750103 /nfs/dbraw/zinc/75/01/03/564750103.db2.gz GYPYIJXKAMFDIX-GFCCVEGCSA-N -2 3 386.520 2.619 20 0 GFADHL CSc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)cc1Cl ZINC000556775194 564839078 /nfs/dbraw/zinc/83/90/78/564839078.db2.gz LLVRCAVDRZFZRG-SSDOTTSWSA-N -2 3 391.820 2.993 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)cs1 ZINC000582522017 564849833 /nfs/dbraw/zinc/84/98/33/564849833.db2.gz MAZUQKXGPKHZNB-UHFFFAOYSA-N -2 3 375.811 2.687 20 0 GFADHL CC1(C)CCC([N-]S(=O)(=O)c2cccnc2C(F)(F)F)(C(=O)[O-])CC1 ZINC000558472174 564902427 /nfs/dbraw/zinc/90/24/27/564902427.db2.gz CUSCMLFRCMZEST-UHFFFAOYSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])CCCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000531744195 564919226 /nfs/dbraw/zinc/91/92/26/564919226.db2.gz BQCBOQLUYIQKHL-UHFFFAOYSA-N -2 3 381.226 2.665 20 0 GFADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)(C(=O)[O-])C1(C)C ZINC000562388159 565027624 /nfs/dbraw/zinc/02/76/24/565027624.db2.gz YXZYKIWHLLUDPF-DOMZBBRYSA-N -2 3 396.292 2.930 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)sc1C(=O)[O-] ZINC000562622674 565035960 /nfs/dbraw/zinc/03/59/60/565035960.db2.gz VYVMWPCEVPUWHF-UHFFFAOYSA-N -2 3 398.359 2.786 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc3c(cc2SC)OCCO3)c1 ZINC000537196123 565054307 /nfs/dbraw/zinc/05/43/07/565054307.db2.gz UQROGFGPMXZQCO-UHFFFAOYSA-N -2 3 383.447 2.695 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)c1 ZINC000537194912 565054602 /nfs/dbraw/zinc/05/46/02/565054602.db2.gz OVBGOOMLMJSQIO-UHFFFAOYSA-N -2 3 375.397 2.992 20 0 GFADHL CC1(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCCCC1 ZINC000537360956 565057783 /nfs/dbraw/zinc/05/77/83/565057783.db2.gz KOOVCRDOEFYBJL-UHFFFAOYSA-N -2 3 392.518 2.836 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2(CC(C)C)CC2)c(F)c1 ZINC000660064836 565246644 /nfs/dbraw/zinc/24/66/44/565246644.db2.gz UYHGEECEJKHBBE-UHFFFAOYSA-N -2 3 392.518 2.834 20 0 GFADHL COc1cc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)ccc1Cl ZINC000663294405 565408014 /nfs/dbraw/zinc/40/80/14/565408014.db2.gz QEMSYVKZWFPBQL-MRVPVSSYSA-N -2 3 389.779 2.670 20 0 GFADHL CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2Cl)nc1C ZINC000663294698 565408928 /nfs/dbraw/zinc/40/89/28/565408928.db2.gz YBYYOQXXMFOBFM-ZDUSSCGKSA-N -2 3 392.264 2.622 20 0 GFADHL COC1(CS(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)CCOCC1 ZINC000650184524 565802645 /nfs/dbraw/zinc/80/26/45/565802645.db2.gz NQYZTJHTTDAUKQ-UHFFFAOYSA-N -2 3 398.264 2.629 20 0 GFADHL CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650389664 565817145 /nfs/dbraw/zinc/81/71/45/565817145.db2.gz VGVHQUIYTXRDQW-QMMMGPOBSA-N -2 3 375.752 2.770 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650401370 565817782 /nfs/dbraw/zinc/81/77/82/565817782.db2.gz JEVNCTGLPYYVPC-UHFFFAOYSA-N -2 3 375.752 2.628 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000650427349 565820215 /nfs/dbraw/zinc/82/02/15/565820215.db2.gz GXPONAVFZUMRNY-SSDOTTSWSA-N -2 3 382.663 2.634 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000650428014 565820488 /nfs/dbraw/zinc/82/04/88/565820488.db2.gz ZDQVRXGEIUAADW-ZETCQYMHSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1cc(F)ccc1F ZINC000681566226 566111983 /nfs/dbraw/zinc/11/19/83/566111983.db2.gz BGXNFYJDAVHVDU-CQSZACIVSA-N -2 3 384.385 2.679 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)s1 ZINC000681571751 566113415 /nfs/dbraw/zinc/11/34/15/566113415.db2.gz SRQUPUDZDNUTPI-UHFFFAOYSA-N -2 3 390.280 2.996 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(F)cc1F ZINC000681576280 566114440 /nfs/dbraw/zinc/11/44/40/566114440.db2.gz ZRVFBHNPGFMYQT-AWEZNQCLSA-N -2 3 377.315 2.737 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-] ZINC000682536586 566161566 /nfs/dbraw/zinc/16/15/66/566161566.db2.gz SFSOEVXBENMTPA-NSHDSACASA-N -2 3 393.889 2.533 20 0 GFADHL CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736780326 598909472 /nfs/dbraw/zinc/90/94/72/598909472.db2.gz PTNKOUNOWRMORC-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736780326 598909473 /nfs/dbraw/zinc/90/94/73/598909473.db2.gz PTNKOUNOWRMORC-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738345453 599042462 /nfs/dbraw/zinc/04/24/62/599042462.db2.gz MTCPHBZXGHCWAH-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738345453 599042465 /nfs/dbraw/zinc/04/24/65/599042465.db2.gz MTCPHBZXGHCWAH-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(C)c1CC(=O)[O-] ZINC000820968230 597718190 /nfs/dbraw/zinc/71/81/90/597718190.db2.gz WRUKJCSYZDNTKC-UHFFFAOYSA-N -3 3 391.445 2.667 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccccc2)n1 ZINC000410428508 598423476 /nfs/dbraw/zinc/42/34/76/598423476.db2.gz YLNDBEKRTFKKTE-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736447804 598535936 /nfs/dbraw/zinc/53/59/36/598535936.db2.gz UMFMBBVFPDQSLM-ZDUSSCGKSA-N -2 3 379.486 2.668 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736447804 598535938 /nfs/dbraw/zinc/53/59/38/598535938.db2.gz UMFMBBVFPDQSLM-ZDUSSCGKSA-N -2 3 379.486 2.668 20 0 GFADHL O=S(=O)([N-]c1ccccc1Oc1ccncc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738341728 598740417 /nfs/dbraw/zinc/74/04/17/598740417.db2.gz KSLNJCWHASAEOP-UHFFFAOYSA-N -2 3 394.416 2.855 20 0 GFADHL O=C(c1ccc([O-])c(Cl)c1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738269812 598778428 /nfs/dbraw/zinc/77/84/28/598778428.db2.gz YJYMGMOOZSKZOG-UHFFFAOYSA-N -2 3 399.838 2.909 20 0 GFADHL COc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821903540 599305983 /nfs/dbraw/zinc/30/59/83/599305983.db2.gz ICKYWDXZAHDMHB-UHFFFAOYSA-N -2 3 399.354 2.695 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000736488468 599313356 /nfs/dbraw/zinc/31/33/56/599313356.db2.gz RFMNOKDCDRUHHW-UHFFFAOYSA-N -2 3 394.407 2.768 20 0 GFADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821050978 599624773 /nfs/dbraw/zinc/62/47/73/599624773.db2.gz WIOHAVHLROMORL-GFCCVEGCSA-N -2 3 379.486 2.587 20 0 GFADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821050978 599624774 /nfs/dbraw/zinc/62/47/74/599624774.db2.gz WIOHAVHLROMORL-GFCCVEGCSA-N -2 3 379.486 2.587 20 0 GFADHL CSc1ccc([C@H](CC(=O)[O-])N/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000738202567 599850190 /nfs/dbraw/zinc/85/01/90/599850190.db2.gz IACUXPYXQPVZJS-NIFLVVHWSA-N -2 3 382.441 2.825 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000730204515 600058358 /nfs/dbraw/zinc/05/83/58/600058358.db2.gz ZIANGAKFCSMYEE-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL Cc1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000738616140 600159339 /nfs/dbraw/zinc/15/93/39/600159339.db2.gz PKNZHONWERVHPE-CHWSQXEVSA-N -2 3 392.408 2.594 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000738546368 600179197 /nfs/dbraw/zinc/17/91/97/600179197.db2.gz WCBKPOJTPORIRK-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000833215300 600762656 /nfs/dbraw/zinc/76/26/56/600762656.db2.gz FBEXHUAAGJTZOW-KBXCAEBGSA-N -2 3 394.427 2.602 20 0 GFADHL O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000833234227 600793531 /nfs/dbraw/zinc/79/35/31/600793531.db2.gz PGLWHALXHLUXIK-UHFFFAOYSA-N -2 3 386.354 2.923 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)ccc1C(=O)[O-] ZINC000285288107 600888905 /nfs/dbraw/zinc/88/89/05/600888905.db2.gz ZVESKYZXOSPGQH-UHFFFAOYSA-N -2 3 388.445 2.616 20 0 GFADHL Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000521869624 600990619 /nfs/dbraw/zinc/99/06/19/600990619.db2.gz ITBMVMDBRPALGM-PBHICJAKSA-N -2 3 379.434 2.732 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)cc1C(=O)[O-] ZINC000833027144 601220801 /nfs/dbraw/zinc/22/08/01/601220801.db2.gz CYEAWPQOMMNUFE-AWEZNQCLSA-N -2 3 378.431 2.811 20 0 GFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000826717946 601235929 /nfs/dbraw/zinc/23/59/29/601235929.db2.gz XSKGNZHZEHWFLB-MGDKSHQASA-N -2 3 391.449 2.720 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)ccc1F ZINC000738678696 601332695 /nfs/dbraw/zinc/33/26/95/601332695.db2.gz JTPJTIWJOASQRZ-UHFFFAOYSA-N -2 3 396.465 2.878 20 0 GFADHL C[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000827746930 601385096 /nfs/dbraw/zinc/38/50/96/601385096.db2.gz HXVDTOKRUNBYIB-LBPRGKRZSA-N -2 3 393.465 2.996 20 0 GFADHL Cc1sc(C(=O)[O-])cc1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000833031146 601722083 /nfs/dbraw/zinc/72/20/83/601722083.db2.gz GZUCNDOTVSVJBO-CQSZACIVSA-N -2 3 389.429 2.808 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826304058 607533459 /nfs/dbraw/zinc/53/34/59/607533459.db2.gz ULMGQRXRQCBFFC-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826166928 607533878 /nfs/dbraw/zinc/53/38/78/607533878.db2.gz HYFAYWUHGJPPQZ-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826166928 607533880 /nfs/dbraw/zinc/53/38/80/607533880.db2.gz HYFAYWUHGJPPQZ-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1-c1nn[n-]n1 ZINC000826303763 607534796 /nfs/dbraw/zinc/53/47/96/607534796.db2.gz DILWIVGJWIHXOB-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c1-c1nnn[n-]1 ZINC000826304092 607536705 /nfs/dbraw/zinc/53/67/05/607536705.db2.gz VUYVCHJMUDTYOH-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c1-c1nn[n-]n1 ZINC000826304092 607536707 /nfs/dbraw/zinc/53/67/07/607536707.db2.gz VUYVCHJMUDTYOH-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)sc1Br ZINC000123557608 601994243 /nfs/dbraw/zinc/99/42/43/601994243.db2.gz USTZJJICSOQYLQ-UHFFFAOYSA-N -2 3 390.280 2.996 20 0 GFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc(OCC(=O)[O-])c1 ZINC000581701732 602156367 /nfs/dbraw/zinc/15/63/67/602156367.db2.gz JUFJISOPJKSYMO-UHFFFAOYSA-N -2 3 393.392 2.822 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739039201 602315704 /nfs/dbraw/zinc/31/57/04/602315704.db2.gz NMLOTKMQJSHSFE-UWVGGRQHSA-N -2 3 398.378 2.901 20 0 GFADHL O=C([O-])N1CCC(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000740497420 602316395 /nfs/dbraw/zinc/31/63/95/602316395.db2.gz XAAQIHHCQIXTLU-UHFFFAOYSA-N -2 3 384.351 2.513 20 0 GFADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000740713454 602646942 /nfs/dbraw/zinc/64/69/42/602646942.db2.gz YTODGRDZAYXZTG-UHFFFAOYSA-N -2 3 375.406 2.704 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1F ZINC000833294882 604503574 /nfs/dbraw/zinc/50/35/74/604503574.db2.gz JRKDZMPBKHROAA-HYSWKAIVSA-N -2 3 379.384 2.670 20 0 GFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]Cc1coc(-c2ccc(C)cc2)n1 ZINC000833746897 604508648 /nfs/dbraw/zinc/50/86/48/604508648.db2.gz USQBLALFPCZELS-UHFFFAOYSA-N -2 3 376.390 2.728 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c([O-])c1 ZINC000832911803 604708786 /nfs/dbraw/zinc/70/87/86/604708786.db2.gz OLPHFJZKKMPPLL-LJQANCHMSA-N -2 3 398.459 2.789 20 0 GFADHL C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000825324465 604772568 /nfs/dbraw/zinc/77/25/68/604772568.db2.gz ASXYNLMSJNZICL-SCLBCKFNSA-N -2 3 386.404 2.682 20 0 GFADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832993796 604960750 /nfs/dbraw/zinc/96/07/50/604960750.db2.gz FAWAFVKXWJCPOK-UHFFFAOYSA-N -2 3 379.800 2.983 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])CCCCC2)no1 ZINC000645947213 605015862 /nfs/dbraw/zinc/01/58/62/605015862.db2.gz CVKSUVXBGJBGEL-UHFFFAOYSA-N -2 3 379.438 2.523 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000833522919 605041295 /nfs/dbraw/zinc/04/12/95/605041295.db2.gz HDENIPRRUZWNQD-SNVBAGLBSA-N -2 3 391.380 2.613 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(F)cc1Br ZINC000833780282 605083684 /nfs/dbraw/zinc/08/36/84/605083684.db2.gz QSLZHTFUSGUYMI-UHFFFAOYSA-N -2 3 392.246 2.755 20 0 GFADHL CN(CC(C)(C)CNC(=O)[O-])C(=O)NCc1ccc([O-])c(Br)c1 ZINC000828142360 605190245 /nfs/dbraw/zinc/19/02/45/605190245.db2.gz MPOFYURTTMHNSX-UHFFFAOYSA-N -2 3 388.262 2.590 20 0 GFADHL C[C@@H](COc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000565537268 605197566 /nfs/dbraw/zinc/19/75/66/605197566.db2.gz AUGMJGMSXCHDGY-VIFPVBQESA-N -2 3 393.339 2.742 20 0 GFADHL O=C([O-])N1CCC(Nc2ccccc2)(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000831969684 605880133 /nfs/dbraw/zinc/88/01/33/605880133.db2.gz RLSQPPJUSXPOLG-UHFFFAOYSA-N -2 3 387.411 2.772 20 0 GFADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)cn1 ZINC000834277960 606022128 /nfs/dbraw/zinc/02/21/28/606022128.db2.gz CCXGURPVCQWRDW-UHFFFAOYSA-N -2 3 376.785 2.991 20 0 GFADHL O=S(=O)([N-][C@H]1CCCc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572648 606883396 /nfs/dbraw/zinc/88/33/96/606883396.db2.gz JVMWAQRKDCJZNS-HNNXBMFYSA-N -2 3 391.403 2.501 20 0 GFADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822202350 606981141 /nfs/dbraw/zinc/98/11/41/606981141.db2.gz WHQNKMPENAMIER-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822202350 606981142 /nfs/dbraw/zinc/98/11/42/606981142.db2.gz WHQNKMPENAMIER-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000825632628 607879555 /nfs/dbraw/zinc/87/95/55/607879555.db2.gz YMTXTIYAIHZSNH-UHFFFAOYSA-N -2 3 397.819 2.859 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(F)(F)F ZINC000824087268 609330197 /nfs/dbraw/zinc/33/01/97/609330197.db2.gz RWRQSEYPJUYPGE-SNVBAGLBSA-N -2 3 395.382 2.651 20 0 GFADHL CC(C)(C)C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000821246634 660319198 /nfs/dbraw/zinc/31/91/98/660319198.db2.gz DLLJBKSBFJHPCA-PWSUYJOCSA-N -2 3 384.281 2.522 20 0 GFADHL Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000829957490 660625646 /nfs/dbraw/zinc/62/56/46/660625646.db2.gz NRJRMZIRUXSXMF-UHFFFAOYSA-N -2 3 382.869 2.991 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC(F)F)o1 ZINC000833323530 660807193 /nfs/dbraw/zinc/80/71/93/660807193.db2.gz ZDXSUQNUZJTHIL-UHFFFAOYSA-N -2 3 381.740 2.711 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]c1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000120891192 655346201 /nfs/dbraw/zinc/34/62/01/655346201.db2.gz OJZMCRGMZIUDPX-UHFFFAOYSA-N -2 3 377.447 2.616 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCc2cccs2)s1 ZINC000761242831 656004733 /nfs/dbraw/zinc/00/47/33/656004733.db2.gz HFLUPKFQZBRZTG-UHFFFAOYSA-N -2 3 396.309 2.791 20 0 GFADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(O)c2F)c1 ZINC000768046923 656231210 /nfs/dbraw/zinc/23/12/10/656231210.db2.gz LPOMBGRJGXRNMH-UHFFFAOYSA-N -2 3 390.186 2.793 20 0 GFADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776452169 656742754 /nfs/dbraw/zinc/74/27/54/656742754.db2.gz DBKQPFLWJNKHRE-ZDUSSCGKSA-N -2 3 389.260 2.753 20 0 GFADHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000776549866 656755914 /nfs/dbraw/zinc/75/59/14/656755914.db2.gz XMPWLLFYUCFMBT-UHFFFAOYSA-N -2 3 389.260 2.537 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1c(F)cccc1F ZINC000776589603 656763613 /nfs/dbraw/zinc/76/36/13/656763613.db2.gz YZQSOSQNLCQBNL-LLVKDONJSA-N -2 3 397.186 2.771 20 0 GFADHL O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000776600117 656765217 /nfs/dbraw/zinc/76/52/17/656765217.db2.gz FWOODQOQOKNKJT-GFCCVEGCSA-N -2 3 382.265 2.542 20 0 GFADHL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1F ZINC000790400188 657969008 /nfs/dbraw/zinc/96/90/08/657969008.db2.gz UGCBIDWEKJSOBM-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])c(C)c1Cl ZINC000794914462 658634925 /nfs/dbraw/zinc/63/49/25/658634925.db2.gz MKGLAWOCWQNBNM-SECBINFHSA-N -2 3 397.902 2.522 20 0 GFADHL C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000809150569 659918431 /nfs/dbraw/zinc/91/84/31/659918431.db2.gz ITPGFQQOXLDGPK-AYVTZFPOSA-N -2 3 385.800 2.978 20 0 GFADHL Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844894567 661446499 /nfs/dbraw/zinc/44/64/99/661446499.db2.gz RLBXNDOEDKJPQB-UHFFFAOYSA-N -2 3 393.248 2.817 20 0 GFADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000899933049 663703010 /nfs/dbraw/zinc/70/30/10/663703010.db2.gz HMLAFGDUQUXTEV-UHFFFAOYSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)CCS2 ZINC000899950466 663704088 /nfs/dbraw/zinc/70/40/88/663704088.db2.gz YYQNDOMABBEBCS-XQVHRTOBSA-N -2 3 381.928 2.809 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(=O)[O-])c1Cl ZINC000906000206 663906766 /nfs/dbraw/zinc/90/67/66/663906766.db2.gz HRKHYJIJPFPLBI-MWLCHTKSSA-N -2 3 382.265 2.602 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)CCO2 ZINC000906001853 663907285 /nfs/dbraw/zinc/90/72/85/663907285.db2.gz MIBFLTCCHHKQGE-KGXJWFGYSA-N -2 3 394.276 2.684 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1nc(C(F)(F)F)cs1 ZINC000906955232 663985927 /nfs/dbraw/zinc/98/59/27/663985927.db2.gz CLGZHEGPMZXQJU-RXMQYKEDSA-N -2 3 386.398 2.961 20 0 GFADHL O=C([N-]OCc1ccc(F)cc1Br)c1cnc(C2CC2)[n-]c1=O ZINC000907606350 664048224 /nfs/dbraw/zinc/04/82/24/664048224.db2.gz QJMDGISJMZZUAQ-UHFFFAOYSA-N -2 3 382.189 2.823 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(F)c1 ZINC000150750104 551401295 /nfs/dbraw/zinc/40/12/95/551401295.db2.gz XNBWPDYYNAQVTG-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCC1 ZINC000152791988 551440131 /nfs/dbraw/zinc/44/01/31/551440131.db2.gz CZOQDPSZNQDOES-HNNXBMFYSA-N -2 3 392.518 2.834 20 0 GFADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)s1 ZINC000161485039 551595071 /nfs/dbraw/zinc/59/50/71/551595071.db2.gz XPEMCMRJXSZNQO-UHFFFAOYSA-N -2 3 377.495 2.950 20 0 GFADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)s1 ZINC000161485039 551595073 /nfs/dbraw/zinc/59/50/73/551595073.db2.gz XPEMCMRJXSZNQO-UHFFFAOYSA-N -2 3 377.495 2.950 20 0 GFADHL CC(C)N(CCC(=O)[O-])C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000236760943 553071166 /nfs/dbraw/zinc/07/11/66/553071166.db2.gz JJUGBUMAPCXINN-UHFFFAOYSA-N -2 3 381.226 2.616 20 0 GFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000262249928 553167979 /nfs/dbraw/zinc/16/79/79/553167979.db2.gz QFYFPNJDAXJGNF-SECBINFHSA-N -2 3 382.251 2.613 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000515839875 564488811 /nfs/dbraw/zinc/48/88/11/564488811.db2.gz XTLWPEUAWVOUIQ-UHFFFAOYSA-N -2 3 381.884 2.691 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318559723 563444250 /nfs/dbraw/zinc/44/42/50/563444250.db2.gz NYCOZFKFUAEDBY-TZMCWYRMSA-N -2 3 394.262 2.900 20 0 GFADHL COC(=O)c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1Cl ZINC000431178715 563555869 /nfs/dbraw/zinc/55/58/69/563555869.db2.gz DUFVPGDGCOYDSH-UHFFFAOYSA-N -2 3 375.811 2.687 20 0 GFADHL CC(C)SCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000286992867 563583272 /nfs/dbraw/zinc/58/32/72/563583272.db2.gz UFHDVEXCFOFMFH-UHFFFAOYSA-N -2 3 388.330 2.629 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)ccc1[O-] ZINC000436768256 563679421 /nfs/dbraw/zinc/67/94/21/563679421.db2.gz IJEKRWDNKKOSRY-UHFFFAOYSA-N -2 3 383.809 2.836 20 0 GFADHL COC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)s1 ZINC000436909339 563685169 /nfs/dbraw/zinc/68/51/69/563685169.db2.gz AFZQUTVMTXFEPH-UHFFFAOYSA-N -2 3 378.797 2.931 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000436993504 563687556 /nfs/dbraw/zinc/68/75/56/563687556.db2.gz CUNDAFLFYNZJSE-UHFFFAOYSA-N -3 3 377.296 2.632 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)CCCC1 ZINC000290684953 563717874 /nfs/dbraw/zinc/71/78/74/563717874.db2.gz QJMZYIFYMWYXLO-UHFFFAOYSA-N -2 3 375.830 2.513 20 0 GFADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2[O-])CC1 ZINC000414384009 563732242 /nfs/dbraw/zinc/73/22/42/563732242.db2.gz RXAXYLPRFAHBNI-UHFFFAOYSA-N -2 3 383.344 2.518 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)CC(C)(C)C ZINC000442782517 563779351 /nfs/dbraw/zinc/77/93/51/563779351.db2.gz QEXYHQANMASPSL-GFCCVEGCSA-N -2 3 394.534 2.938 20 0 GFADHL CC(C)(C)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416637664 563856714 /nfs/dbraw/zinc/85/67/14/563856714.db2.gz UTCABSXJUXOCTJ-OCCSQVGLSA-N -2 3 392.518 2.690 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000563737207 564205087 /nfs/dbraw/zinc/20/50/87/564205087.db2.gz NXLDBQBBMQDJLA-SSDOTTSWSA-N -2 3 379.278 2.637 20 0 GFADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000564515778 564236608 /nfs/dbraw/zinc/23/66/08/564236608.db2.gz JTLPPQJXMVXFMR-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL COc1c(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)oc2ccccc21 ZINC000473491991 564247869 /nfs/dbraw/zinc/24/78/69/564247869.db2.gz RFTJZBPCGBWFEJ-UHFFFAOYSA-N -2 3 381.431 2.988 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])n2)c1Cl ZINC000541000032 564262420 /nfs/dbraw/zinc/26/24/20/564262420.db2.gz ADWAEGGYPGOOJG-UHFFFAOYSA-N -2 3 389.260 2.916 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541910289 564294552 /nfs/dbraw/zinc/29/45/52/564294552.db2.gz SIULDCJJXOERAT-FZMZJTMJSA-N -2 3 394.262 2.900 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000566185227 564315220 /nfs/dbraw/zinc/31/52/20/564315220.db2.gz XWJXXTNHKVELCP-ZDUSSCGKSA-N -2 3 389.836 2.751 20 0 GFADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000542858906 564329915 /nfs/dbraw/zinc/32/99/15/564329915.db2.gz IKFYSRJRMVWTRW-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)(C)C ZINC000451783395 564351462 /nfs/dbraw/zinc/35/14/62/564351462.db2.gz RZAQCZLZQMBPBY-CQSZACIVSA-N -2 3 380.507 2.690 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCSCc2ccccc2F)c(F)c1 ZINC000545555080 564428209 /nfs/dbraw/zinc/42/82/09/564428209.db2.gz KVBJLLOGUDIZPD-UHFFFAOYSA-N -2 3 387.429 2.875 20 0 GFADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000547546484 564492662 /nfs/dbraw/zinc/49/26/62/564492662.db2.gz VPDIMUPXZOPQCI-GWCFXTLKSA-N -2 3 375.830 2.512 20 0 GFADHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c(F)c1 ZINC000547582665 564498238 /nfs/dbraw/zinc/49/82/38/564498238.db2.gz MTUHPRZRJSXMFU-UHFFFAOYSA-N -2 3 399.197 2.959 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000547870855 564513966 /nfs/dbraw/zinc/51/39/66/564513966.db2.gz SBIYCBRPBMGAIE-LLVKDONJSA-N -2 3 390.280 2.923 20 0 GFADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000547871980 564514121 /nfs/dbraw/zinc/51/41/21/564514121.db2.gz LIQCIMVGCRIKPJ-GXFFZTMASA-N -2 3 375.830 2.512 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000516863171 564514312 /nfs/dbraw/zinc/51/43/12/564514312.db2.gz WRSXRNDDEGUHBJ-KCJUWKMLSA-N -2 3 382.251 2.612 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])cc1Cl ZINC000547875565 564515166 /nfs/dbraw/zinc/51/51/66/564515166.db2.gz BKRNYMZUYLQAIJ-UHFFFAOYSA-N -2 3 384.841 2.914 20 0 GFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000547894284 564517474 /nfs/dbraw/zinc/51/74/74/564517474.db2.gz PXOMEVQHYABFFV-VIFPVBQESA-N -2 3 382.251 2.900 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000547933590 564523004 /nfs/dbraw/zinc/52/30/04/564523004.db2.gz XYTUMMZBHIBUEF-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)(C(=O)[O-])C1(C)C ZINC000548028171 564528499 /nfs/dbraw/zinc/52/84/99/564528499.db2.gz PUKFMKULTMVVER-BBRMVZONSA-N -2 3 393.864 2.724 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)Cc1ccc(Cl)cc1 ZINC000548206726 564536748 /nfs/dbraw/zinc/53/67/48/564536748.db2.gz BWYWPGFFHQWHQZ-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])s1 ZINC000548229820 564540090 /nfs/dbraw/zinc/54/00/90/564540090.db2.gz ZWDBLPYIJCKZDQ-UHFFFAOYSA-N -2 3 384.317 2.988 20 0 GFADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000548260517 564544335 /nfs/dbraw/zinc/54/43/35/564544335.db2.gz FUNZCGKHMQVDOZ-ZYHUDNBSSA-N -2 3 384.866 2.771 20 0 GFADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)(C(=O)[O-])C1(C)C ZINC000548357554 564549879 /nfs/dbraw/zinc/54/98/79/564549879.db2.gz UJGOZGXLUFKPHK-XHDPSFHLSA-N -2 3 396.292 2.930 20 0 GFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000521164698 564620891 /nfs/dbraw/zinc/62/08/91/564620891.db2.gz KTQOIKYUWBPXMF-PWSUYJOCSA-N -2 3 394.262 2.900 20 0 GFADHL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000574565398 564679430 /nfs/dbraw/zinc/67/94/30/564679430.db2.gz VOOMGGHYUYWLII-UHFFFAOYSA-N -2 3 383.809 2.555 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccc2c(Cl)ccnc21)C(F)(F)F ZINC000575224998 564694891 /nfs/dbraw/zinc/69/48/91/564694891.db2.gz BMEHUOHIVRYYTF-QMMMGPOBSA-N -2 3 396.774 2.820 20 0 GFADHL O=C(c1ccccc1[O-])N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459331384 564739408 /nfs/dbraw/zinc/73/94/08/564739408.db2.gz TVALAMYHCFKRJO-UHFFFAOYSA-N -2 3 391.265 2.818 20 0 GFADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000582639466 564855504 /nfs/dbraw/zinc/85/55/04/564855504.db2.gz XGBYSXACSOBXIZ-UHFFFAOYSA-N -2 3 386.470 2.658 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H]1CCCOC1 ZINC000583807779 564907683 /nfs/dbraw/zinc/90/76/83/564907683.db2.gz ZVLTVPOTCZHAEO-XPTSAGLGSA-N -2 3 389.882 2.713 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000562353491 565026089 /nfs/dbraw/zinc/02/60/89/565026089.db2.gz PBHTUWMRRQLNNM-QMMMGPOBSA-N -2 3 387.351 2.892 20 0 GFADHL CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000537198114 565055170 /nfs/dbraw/zinc/05/51/70/565055170.db2.gz YTTVAVQBPBKJQR-UHFFFAOYSA-N -2 3 384.841 2.605 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@](C)(CC)C2CC2)c(F)c1 ZINC000657179422 565084536 /nfs/dbraw/zinc/08/45/36/565084536.db2.gz SDFXBNBCRBOYDI-INIZCTEOSA-N -2 3 392.518 2.834 20 0 GFADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1c(C(=O)[O-])cc(OC)c(OC)c1OC ZINC000684845814 565084937 /nfs/dbraw/zinc/08/49/37/565084937.db2.gz SUNJXYMTXMXPML-SNVBAGLBSA-N -2 3 375.443 2.731 20 0 GFADHL CCOCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000614234446 565102382 /nfs/dbraw/zinc/10/23/82/565102382.db2.gz BBAAMKYRWSOYKC-UHFFFAOYSA-N -2 3 384.841 2.821 20 0 GFADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1cccc2cccnc21)C(F)(F)F ZINC000663294578 565409034 /nfs/dbraw/zinc/40/90/34/565409034.db2.gz VARVLAIECGYKNR-NSHDSACASA-N -2 3 376.356 2.556 20 0 GFADHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000643122311 565422260 /nfs/dbraw/zinc/42/22/60/565422260.db2.gz IYHGXSJPQOYAIE-UHFFFAOYSA-N -2 3 393.408 2.915 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H](C)Oc1cccc(C)c1 ZINC000645983096 565580474 /nfs/dbraw/zinc/58/04/74/565580474.db2.gz UUSSGJSGVNUAOA-NSHDSACASA-N -2 3 385.463 2.509 20 0 GFADHL C/C=C\C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000646041304 565583743 /nfs/dbraw/zinc/58/37/43/565583743.db2.gz IGGHVSZGSVQCIT-MZBZXASESA-N -2 3 392.271 2.546 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)CC1CC1 ZINC000650429949 565819860 /nfs/dbraw/zinc/81/98/60/565819860.db2.gz AMQJJPFSBOVZCW-SECBINFHSA-N -2 3 385.335 2.504 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629334438 565844879 /nfs/dbraw/zinc/84/48/79/565844879.db2.gz QAPCFIUERIEWKL-ZIAGYGMSSA-N -2 3 381.475 2.925 20 0 GFADHL CC1(C)CCC[C@]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)(C(=O)[O-])C1 ZINC000629335306 565845883 /nfs/dbraw/zinc/84/58/83/565845883.db2.gz RVLPUDCWDSQKDU-CQSZACIVSA-N -2 3 380.388 2.802 20 0 GFADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-])C1CC1 ZINC000656169824 566109522 /nfs/dbraw/zinc/10/95/22/566109522.db2.gz ROYLANWURWBEAZ-RYUDHWBXSA-N -2 3 382.265 2.540 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c1 ZINC000681557654 566111456 /nfs/dbraw/zinc/11/14/56/566111456.db2.gz LKYMNVQVBOQBDB-LLVKDONJSA-N -2 3 375.855 2.904 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-] ZINC000656511854 566130375 /nfs/dbraw/zinc/13/03/75/566130375.db2.gz DVYDUHYQYRKHCQ-JTQLQIEISA-N -2 3 394.287 2.627 20 0 GFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC000656511082 566130538 /nfs/dbraw/zinc/13/05/38/566130538.db2.gz NZESEOKWHMPUNA-NSHDSACASA-N -2 3 384.679 2.738 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000656716130 566157292 /nfs/dbraw/zinc/15/72/92/566157292.db2.gz CSSANNHVSZBVBV-SNVBAGLBSA-N -2 3 387.401 2.615 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@](C)(CC)C(=O)[O-] ZINC000656712334 566157415 /nfs/dbraw/zinc/15/74/15/566157415.db2.gz ADYQFPGSIXMZRG-AWEZNQCLSA-N -2 3 394.287 2.770 20 0 GFADHL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735761881 598909271 /nfs/dbraw/zinc/90/92/71/598909271.db2.gz QZAGGQWSQLSPRD-LLVKDONJSA-N -2 3 393.448 2.610 20 0 GFADHL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735761881 598909272 /nfs/dbraw/zinc/90/92/72/598909272.db2.gz QZAGGQWSQLSPRD-LLVKDONJSA-N -2 3 393.448 2.610 20 0 GFADHL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735761882 598909389 /nfs/dbraw/zinc/90/93/89/598909389.db2.gz QZAGGQWSQLSPRD-NSHDSACASA-N -2 3 393.448 2.610 20 0 GFADHL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735761882 598909391 /nfs/dbraw/zinc/90/93/91/598909391.db2.gz QZAGGQWSQLSPRD-NSHDSACASA-N -2 3 393.448 2.610 20 0 GFADHL Cc1ccc2nc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)sc2c1 ZINC000737374270 598909938 /nfs/dbraw/zinc/90/99/38/598909938.db2.gz NHPQZCFMXITJGC-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL Cc1ccc2nc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)sc2c1 ZINC000737374270 598909939 /nfs/dbraw/zinc/90/99/39/598909939.db2.gz NHPQZCFMXITJGC-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000737301145 598931628 /nfs/dbraw/zinc/93/16/28/598931628.db2.gz JADKRYLLRBNARX-UHFFFAOYSA-N -2 3 387.469 2.678 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000737297885 598976515 /nfs/dbraw/zinc/97/65/15/598976515.db2.gz DMJRGBVUNLPOGL-CYBMUJFWSA-N -2 3 391.497 2.587 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000737297885 598976517 /nfs/dbraw/zinc/97/65/17/598976517.db2.gz DMJRGBVUNLPOGL-CYBMUJFWSA-N -2 3 391.497 2.587 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000737225767 599029778 /nfs/dbraw/zinc/02/97/78/599029778.db2.gz ISIPRTUFHBOBRR-UHFFFAOYSA-N -2 3 378.483 2.730 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000737225767 599029780 /nfs/dbraw/zinc/02/97/80/599029780.db2.gz ISIPRTUFHBOBRR-UHFFFAOYSA-N -2 3 378.483 2.730 20 0 GFADHL C[C@H](NC(=O)c1cccc(Br)c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736123457 598408164 /nfs/dbraw/zinc/40/81/64/598408164.db2.gz PLSBTZHNPDVDTA-VIFPVBQESA-N -2 3 388.225 2.826 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738344816 598607947 /nfs/dbraw/zinc/60/79/47/598607947.db2.gz IXIKFSWJFJZPKY-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000736488937 599313803 /nfs/dbraw/zinc/31/38/03/599313803.db2.gz VJZYEMNJIGICHN-UHFFFAOYSA-N -2 3 394.407 2.768 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000737106216 599559993 /nfs/dbraw/zinc/55/99/93/599559993.db2.gz PPMVKUNODZZHFK-UHFFFAOYSA-N -2 3 399.354 2.695 20 0 GFADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000739928500 599744148 /nfs/dbraw/zinc/74/41/48/599744148.db2.gz UVUAZILOSFNDPK-SECBINFHSA-N -2 3 397.678 2.523 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000740174429 599778218 /nfs/dbraw/zinc/77/82/18/599778218.db2.gz YIZUAORONZIZNM-UHFFFAOYSA-N -2 3 375.324 2.964 20 0 GFADHL CCCOc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(CC(=O)[O-])n3)cs2)cc1 ZINC000737030743 600181630 /nfs/dbraw/zinc/18/16/30/600181630.db2.gz DVSIEWLKFZEJEA-UHFFFAOYSA-N -2 3 387.421 2.596 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1 ZINC000739886361 600244603 /nfs/dbraw/zinc/24/46/03/600244603.db2.gz DMWCTRNWNAZNOS-UHFFFAOYSA-N -2 3 391.836 2.954 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)[O-])c(C)c1C ZINC000604971356 600298742 /nfs/dbraw/zinc/29/87/42/600298742.db2.gz AMZXCDUEVBHVDN-UHFFFAOYSA-N -2 3 395.433 2.828 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000737758879 600396603 /nfs/dbraw/zinc/39/66/03/600396603.db2.gz CTNACZJTHKKRTR-CQSZACIVSA-N -2 3 390.461 2.719 20 0 GFADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000740135565 600678877 /nfs/dbraw/zinc/67/88/77/600678877.db2.gz OVSROQHSAJDZKH-UHFFFAOYSA-N -3 3 391.735 2.815 20 0 GFADHL O=C([O-])c1ccc2nc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)ccc2c1 ZINC000826461565 607466907 /nfs/dbraw/zinc/46/69/07/607466907.db2.gz AAFRYRZYKVTBQN-WAYWQWQTSA-N -2 3 383.371 2.931 20 0 GFADHL O=C([O-])c1ccc2nc(C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)ccc2c1 ZINC000826461565 607466910 /nfs/dbraw/zinc/46/69/10/607466910.db2.gz AAFRYRZYKVTBQN-WAYWQWQTSA-N -2 3 383.371 2.931 20 0 GFADHL COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737634356 600890676 /nfs/dbraw/zinc/89/06/76/600890676.db2.gz SZIADZPIUQXEJN-UHFFFAOYSA-N -2 3 378.406 2.697 20 0 GFADHL CC(C)C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000826821300 600953575 /nfs/dbraw/zinc/95/35/75/600953575.db2.gz YWJAFOXVRUFOJQ-ZDUSSCGKSA-N -2 3 389.445 2.559 20 0 GFADHL O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(I)ccc2[O-])C1 ZINC000833185695 601210940 /nfs/dbraw/zinc/21/09/40/601210940.db2.gz IADNZPOPHYVBRT-IUCAKERBSA-N -2 3 389.189 2.826 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000580548308 601217574 /nfs/dbraw/zinc/21/75/74/601217574.db2.gz NPDIZHMEKBHQGX-GOEBONIOSA-N -2 3 383.397 2.624 20 0 GFADHL Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832961116 601235176 /nfs/dbraw/zinc/23/51/76/601235176.db2.gz UYFYQHFDRCLLLJ-LBPRGKRZSA-N -2 3 383.372 2.692 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1cccc(F)c1 ZINC000827508242 601239396 /nfs/dbraw/zinc/23/93/96/601239396.db2.gz UTEHELXODVMRJF-SECBINFHSA-N -2 3 389.351 2.548 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)sc1Br ZINC000129772239 601256799 /nfs/dbraw/zinc/25/67/99/601256799.db2.gz QFEVKTWRTYOZMC-SECBINFHSA-N -2 3 396.309 2.985 20 0 GFADHL COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000747613679 601330303 /nfs/dbraw/zinc/33/03/03/601330303.db2.gz UEUHNKZTUGYLLE-YHYXMXQVSA-N -2 3 375.402 2.680 20 0 GFADHL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C(=O)[O-])c3)cc2C[C@H]1C ZINC000266553839 601333639 /nfs/dbraw/zinc/33/36/39/601333639.db2.gz IOHGNQJPAGGDAQ-GFCCVEGCSA-N -2 3 388.445 2.792 20 0 GFADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000833240499 601363276 /nfs/dbraw/zinc/36/32/76/601363276.db2.gz UTRAGDPDGPKYAG-UHFFFAOYSA-N -2 3 387.417 2.731 20 0 GFADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCC1 ZINC000829070125 601393853 /nfs/dbraw/zinc/39/38/53/601393853.db2.gz YXAOMAXQOXSISH-UHFFFAOYSA-N -2 3 380.235 2.897 20 0 GFADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CC1 ZINC000829065464 601399690 /nfs/dbraw/zinc/39/96/90/601399690.db2.gz HNPMIPLPERUNFZ-UHFFFAOYSA-N -2 3 380.235 2.755 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1 ZINC000481956288 601475646 /nfs/dbraw/zinc/47/56/46/601475646.db2.gz HXLNDMXKENEHAM-UHFFFAOYSA-N -2 3 387.360 2.595 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)ccc1Cl ZINC000757477141 601828874 /nfs/dbraw/zinc/82/88/74/601828874.db2.gz JVIPURSDZGYYHG-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1F ZINC000832887415 601882947 /nfs/dbraw/zinc/88/29/47/601882947.db2.gz XVIZIIMAJFPYAP-GFCCVEGCSA-N -2 3 387.379 2.634 20 0 GFADHL Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)cc2s1 ZINC000826329094 607532952 /nfs/dbraw/zinc/53/29/52/607532952.db2.gz PYBDIWGVWYBJFP-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)cc2s1 ZINC000826329094 607532953 /nfs/dbraw/zinc/53/29/53/607532953.db2.gz PYBDIWGVWYBJFP-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1-c1nn[n-]n1 ZINC000826303779 607534773 /nfs/dbraw/zinc/53/47/73/607534773.db2.gz FALVRIWTCKEASP-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1-c1nnn[n-]1 ZINC000826304036 607535092 /nfs/dbraw/zinc/53/50/92/607535092.db2.gz SLRLKYNPPLENIE-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1-c1nn[n-]n1 ZINC000826304036 607535094 /nfs/dbraw/zinc/53/50/94/607535094.db2.gz SLRLKYNPPLENIE-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL O=C([O-])[C@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cc(Cl)cc(Cl)c1 ZINC000833348490 602086576 /nfs/dbraw/zinc/08/65/76/602086576.db2.gz WUDCRBMCYLPZJR-CYBMUJFWSA-N -2 3 394.166 2.860 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000832904251 602114711 /nfs/dbraw/zinc/11/47/11/602114711.db2.gz BZDVDISKUHFQAZ-UHFFFAOYSA-N -3 3 392.433 2.912 20 0 GFADHL C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000315311107 602141582 /nfs/dbraw/zinc/14/15/82/602141582.db2.gz GLECXQLIAXHSNB-QMMMGPOBSA-N -2 3 392.227 2.633 20 0 GFADHL Cc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)ccc1F ZINC000184893135 602142766 /nfs/dbraw/zinc/14/27/66/602142766.db2.gz KGGWKFKUBRYUEU-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000235227380 602156141 /nfs/dbraw/zinc/15/61/41/602156141.db2.gz FGAGSWZVKSLKGX-JGVFFNPUSA-N -2 3 398.300 2.693 20 0 GFADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000831466969 602216105 /nfs/dbraw/zinc/21/61/05/602216105.db2.gz OCMHYWVUSOMPHC-CQSZACIVSA-N -2 3 397.474 2.665 20 0 GFADHL CCOCCC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCC1 ZINC000829994267 602216531 /nfs/dbraw/zinc/21/65/31/602216531.db2.gz IZAFIJFRLUJKQG-UHFFFAOYSA-N -2 3 377.409 2.538 20 0 GFADHL CCN(Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1)C(=O)[O-] ZINC000739445821 602654453 /nfs/dbraw/zinc/65/44/53/602654453.db2.gz INICITZCKAIKOP-UHFFFAOYSA-N -2 3 376.434 2.922 20 0 GFADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000740702966 602654896 /nfs/dbraw/zinc/65/48/96/602654896.db2.gz DWRQCJITFVMJSO-UHFFFAOYSA-N -2 3 393.396 2.609 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@H]3CCC[C@@H]3CNC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000830685898 603284538 /nfs/dbraw/zinc/28/45/38/603284538.db2.gz LAIIHUJGHRWEHZ-HIFRSBDPSA-N -2 3 385.424 2.715 20 0 GFADHL O=C([O-])COc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000833260019 604713051 /nfs/dbraw/zinc/71/30/51/604713051.db2.gz UQNFWHDCOCMLLH-UHFFFAOYSA-N -2 3 380.194 2.548 20 0 GFADHL C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])cc2)CCO1 ZINC000833634814 604744625 /nfs/dbraw/zinc/74/46/25/604744625.db2.gz LDPMLROARFUXLN-LBPRGKRZSA-N -2 3 394.424 2.550 20 0 GFADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000327692632 604989963 /nfs/dbraw/zinc/98/99/63/604989963.db2.gz TVZGLVKTRZLLRW-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000749146489 605164180 /nfs/dbraw/zinc/16/41/80/605164180.db2.gz XPFCTVLPHSSFEW-GFCCVEGCSA-N -2 3 394.424 2.550 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000821417794 606610641 /nfs/dbraw/zinc/61/06/41/606610641.db2.gz RXRCAMVRMYEZKN-UHFFFAOYSA-N -2 3 395.391 2.653 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cnc1Cl ZINC000822210685 606638123 /nfs/dbraw/zinc/63/81/23/606638123.db2.gz NFNSHWOEOMOTDU-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cnc1Cl ZINC000822210685 606638124 /nfs/dbraw/zinc/63/81/24/606638124.db2.gz NFNSHWOEOMOTDU-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL O=C([N-]S(=O)(=O)C1CCCC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823285381 606653931 /nfs/dbraw/zinc/65/39/31/606653931.db2.gz RPALWHHKBKEASF-UHFFFAOYSA-N -2 3 397.460 2.536 20 0 GFADHL O=C([N-]S(=O)(=O)C1CCCC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823285381 606653932 /nfs/dbraw/zinc/65/39/32/606653932.db2.gz RPALWHHKBKEASF-UHFFFAOYSA-N -2 3 397.460 2.536 20 0 GFADHL O=S(=O)([N-]c1cccc(Cl)c1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589432 606865223 /nfs/dbraw/zinc/86/52/23/606865223.db2.gz ZCUMXUIUMSUWPK-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL O=S(=O)([N-]c1cccc(Cl)c1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589432 606865224 /nfs/dbraw/zinc/86/52/24/606865224.db2.gz ZCUMXUIUMSUWPK-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL O=S(=O)([N-]c1ccc2scnc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589209 606867118 /nfs/dbraw/zinc/86/71/18/606867118.db2.gz SVHRPZUYCJRCGU-UHFFFAOYSA-N -2 3 394.388 2.555 20 0 GFADHL O=S(=O)([N-]c1ccc2scnc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589209 606867120 /nfs/dbraw/zinc/86/71/20/606867120.db2.gz SVHRPZUYCJRCGU-UHFFFAOYSA-N -2 3 394.388 2.555 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H](C)c1ccccc1 ZINC000820438255 606892744 /nfs/dbraw/zinc/89/27/44/606892744.db2.gz LQVMWQSAHXNRJT-MNOVXSKESA-N -2 3 393.419 2.615 20 0 GFADHL O=C([O-])C1(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)Cc2ccccc2C1 ZINC000822935196 607121395 /nfs/dbraw/zinc/12/13/95/607121395.db2.gz GNCAQKZDIUOTJO-UHFFFAOYSA-N -2 3 397.822 2.719 20 0 GFADHL O=C([O-])C1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)Cc2ccccc2C1 ZINC000822935196 607121397 /nfs/dbraw/zinc/12/13/97/607121397.db2.gz GNCAQKZDIUOTJO-UHFFFAOYSA-N -2 3 397.822 2.719 20 0 GFADHL CC(=O)c1ccc([O-])c(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824025107 609284684 /nfs/dbraw/zinc/28/46/84/609284684.db2.gz VERSSUHTYHDOSC-UHFFFAOYSA-N -2 3 383.433 2.647 20 0 GFADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824024390 609467787 /nfs/dbraw/zinc/46/77/87/609467787.db2.gz CEBKCVLGPCOEAS-UHFFFAOYSA-N -2 3 395.803 2.663 20 0 GFADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824024390 609467788 /nfs/dbraw/zinc/46/77/88/609467788.db2.gz CEBKCVLGPCOEAS-UHFFFAOYSA-N -2 3 395.803 2.663 20 0 GFADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824024768 609468177 /nfs/dbraw/zinc/46/81/77/609468177.db2.gz OUENCWKKQFHQQT-UHFFFAOYSA-N -2 3 395.803 2.663 20 0 GFADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824024768 609468180 /nfs/dbraw/zinc/46/81/80/609468180.db2.gz OUENCWKKQFHQQT-UHFFFAOYSA-N -2 3 395.803 2.663 20 0 GFADHL CCCc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000825348051 660422134 /nfs/dbraw/zinc/42/21/34/660422134.db2.gz BHVCACIUNPZJIM-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL CCCc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000825348051 660422141 /nfs/dbraw/zinc/42/21/41/660422141.db2.gz BHVCACIUNPZJIM-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL CSCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000275005222 655211166 /nfs/dbraw/zinc/21/11/66/655211166.db2.gz BCHRUOMMKNJTKM-VIFPVBQESA-N -2 3 391.820 2.843 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000176461807 655246390 /nfs/dbraw/zinc/24/63/90/655246390.db2.gz VFBLSHDVYAVQSD-UHFFFAOYSA-N -2 3 376.463 2.619 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])CCCCC1 ZINC000577929254 655469604 /nfs/dbraw/zinc/46/96/04/655469604.db2.gz DTIOAIVNYDTFCG-UHFFFAOYSA-N -2 3 389.857 2.903 20 0 GFADHL O=C([O-])C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776612640 656766585 /nfs/dbraw/zinc/76/65/85/656766585.db2.gz ZTZFXMUCFNENCC-NSHDSACASA-N -2 3 389.260 2.753 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c(Cl)cc1F ZINC000794840939 658623176 /nfs/dbraw/zinc/62/31/76/658623176.db2.gz ODCIVUHQRZRQDB-UHFFFAOYSA-N -2 3 375.727 2.798 20 0 GFADHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000853070574 661880813 /nfs/dbraw/zinc/88/08/13/661880813.db2.gz YTBUSZZUAMUOPS-QMMMGPOBSA-N -2 3 380.647 2.554 20 0 GFADHL C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871803805 662734569 /nfs/dbraw/zinc/73/45/69/662734569.db2.gz TUYCFNJLKMPQMG-SSDOTTSWSA-N -2 3 394.268 2.711 20 0 GFADHL Cc1sc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)nc1C(=O)[O-] ZINC000899941724 663703202 /nfs/dbraw/zinc/70/32/02/663703202.db2.gz CZAUTIWHRNIWSP-UHFFFAOYSA-N -2 3 386.398 2.709 20 0 GFADHL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)cc1C(=O)[O-] ZINC000147819192 551398529 /nfs/dbraw/zinc/39/85/29/551398529.db2.gz YDXBZNREKWDNDQ-UHFFFAOYSA-N -2 3 393.646 2.940 20 0 GFADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(C)o1 ZINC000154709143 551481235 /nfs/dbraw/zinc/48/12/35/551481235.db2.gz PXUFODQENAQNFS-UHFFFAOYSA-N -2 3 379.221 2.761 20 0 GFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161829938 551598956 /nfs/dbraw/zinc/59/89/56/551598956.db2.gz ONPRKSBVOJYMEN-NSHDSACASA-N -2 3 382.251 2.756 20 0 GFADHL Cc1cc(Br)c([O-])c(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c1 ZINC000182356547 552281730 /nfs/dbraw/zinc/28/17/30/552281730.db2.gz VZGHSUZSHIWSCK-UHFFFAOYSA-N -2 3 377.198 2.703 20 0 GFADHL Cc1cc(Br)c([O-])c(NC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000182356547 552281733 /nfs/dbraw/zinc/28/17/33/552281733.db2.gz VZGHSUZSHIWSCK-UHFFFAOYSA-N -2 3 377.198 2.703 20 0 GFADHL Cc1cc(Br)c([O-])c(NC(=O)c2cnc3c(cnn3C)c2[O-])c1 ZINC000182356547 552281735 /nfs/dbraw/zinc/28/17/35/552281735.db2.gz VZGHSUZSHIWSCK-UHFFFAOYSA-N -2 3 377.198 2.703 20 0 GFADHL CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000324608733 563453064 /nfs/dbraw/zinc/45/30/64/563453064.db2.gz WKBHMBIVFSANJL-UHFFFAOYSA-N -2 3 388.854 2.569 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](SC)C1 ZINC000326021732 563454431 /nfs/dbraw/zinc/45/44/31/563454431.db2.gz PHNIQBWGIRPYCU-WDEREUQCSA-N -2 3 393.914 2.999 20 0 GFADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)s1 ZINC000325943897 563454558 /nfs/dbraw/zinc/45/45/58/563454558.db2.gz LFUBPNPRVIHOPC-UHFFFAOYSA-N -2 3 390.870 2.544 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)ccc1[O-] ZINC000326466047 563455236 /nfs/dbraw/zinc/45/52/36/563455236.db2.gz HJSZJHGJMXKCQW-UHFFFAOYSA-N -2 3 375.324 2.998 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cncc(Cl)c3)cc2)n1 ZINC000378337643 563503857 /nfs/dbraw/zinc/50/38/57/563503857.db2.gz QYXPKDHKWBIRPW-UHFFFAOYSA-N -2 3 376.825 2.595 20 0 GFADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000285266301 563511646 /nfs/dbraw/zinc/51/16/46/563511646.db2.gz VOUMYZPZTMADBM-ZETCQYMHSA-N -2 3 377.743 2.801 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)sc1C(=O)[O-] ZINC000387241275 563519707 /nfs/dbraw/zinc/51/97/07/563519707.db2.gz KNMXQPTXWFWNEH-UHFFFAOYSA-N -2 3 381.262 2.935 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000401554944 563534963 /nfs/dbraw/zinc/53/49/63/563534963.db2.gz KHHIBZVEPKEYJW-JTQLQIEISA-N -2 3 382.251 2.756 20 0 GFADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1Cl ZINC000431180996 563556124 /nfs/dbraw/zinc/55/61/24/563556124.db2.gz IWMLEOKUCDKIPX-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(Cl)cc1[O-] ZINC000436566771 563674230 /nfs/dbraw/zinc/67/42/30/563674230.db2.gz YKBWXJOXSMRKFP-UHFFFAOYSA-N -2 3 384.816 2.878 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1 ZINC000436995556 563687905 /nfs/dbraw/zinc/68/79/05/563687905.db2.gz QPUBMNCKEYSRMY-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1)C(F)F ZINC000414321382 563726234 /nfs/dbraw/zinc/72/62/34/563726234.db2.gz DVMBAIYIFHASQG-JTQLQIEISA-N -2 3 386.214 2.778 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)ccc1[O-] ZINC000366180011 563800577 /nfs/dbraw/zinc/80/05/77/563800577.db2.gz SBAICJFMGCDFBZ-UHFFFAOYSA-N -2 3 397.459 2.560 20 0 GFADHL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000443417361 563804814 /nfs/dbraw/zinc/80/48/14/563804814.db2.gz KVRIPDUQXLMJLD-UHFFFAOYSA-N -2 3 387.458 2.516 20 0 GFADHL CC[C@@H](C)C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000563199781 564179544 /nfs/dbraw/zinc/17/95/44/564179544.db2.gz GQBHELHMARLCJV-YMTOWFKASA-N -2 3 395.253 2.910 20 0 GFADHL O=C([O-])c1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000508035261 564250961 /nfs/dbraw/zinc/25/09/61/564250961.db2.gz NVVOOOZWIMSCLG-UHFFFAOYSA-N -2 3 378.475 2.739 20 0 GFADHL Cc1nc(SCCOCCSc2nc(C)c(C)c(=O)[n-]2)[n-]c(=O)c1C ZINC000540719738 564255963 /nfs/dbraw/zinc/25/59/63/564255963.db2.gz MACLREFIICLDJE-UHFFFAOYSA-N -2 3 382.511 2.812 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)CC)c(F)c1 ZINC000451107691 564276061 /nfs/dbraw/zinc/27/60/61/564276061.db2.gz JEEHGQKFBPAYDD-RYUDHWBXSA-N -2 3 380.507 2.690 20 0 GFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000565489790 564283545 /nfs/dbraw/zinc/28/35/45/564283545.db2.gz COOBIWZCZGWSHS-MRVPVSSYSA-N -2 3 398.250 2.519 20 0 GFADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000565768567 564294914 /nfs/dbraw/zinc/29/49/14/564294914.db2.gz UDTNQKBTJSOFHK-JTQLQIEISA-N -2 3 383.388 2.985 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000566597476 564333606 /nfs/dbraw/zinc/33/36/06/564333606.db2.gz VANZRYGZKMAAGH-GWCFXTLKSA-N -2 3 385.335 2.646 20 0 GFADHL Cc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(=O)[n-]1 ZINC000544100037 564374095 /nfs/dbraw/zinc/37/40/95/564374095.db2.gz PEJWYNJJVSQLED-UHFFFAOYSA-N -2 3 381.763 2.641 20 0 GFADHL CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000567794429 564389245 /nfs/dbraw/zinc/38/92/45/564389245.db2.gz XDLJFIXBYDXPHY-UHFFFAOYSA-N -2 3 394.396 2.901 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])c(F)c1 ZINC000568704787 564430441 /nfs/dbraw/zinc/43/04/41/564430441.db2.gz SOZHJBKSDZTJOF-CQSZACIVSA-N -2 3 389.807 2.901 20 0 GFADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c3ccc(Cl)cc3)cn21 ZINC000568847097 564437056 /nfs/dbraw/zinc/43/70/56/564437056.db2.gz DUKYXDYEBKWGCV-BMIGLBTASA-N -2 3 383.857 2.538 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000515699117 564485545 /nfs/dbraw/zinc/48/55/45/564485545.db2.gz LNMZCKWZIMXARO-UHFFFAOYSA-N -2 3 378.834 2.651 20 0 GFADHL Cc1ccc(-c2nc(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)cs2)cc1 ZINC000515878051 564489484 /nfs/dbraw/zinc/48/94/84/564489484.db2.gz RPGLGPDLWDXEIV-UHFFFAOYSA-N -2 3 395.491 2.594 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)ccc1C ZINC000547546702 564492715 /nfs/dbraw/zinc/49/27/15/564492715.db2.gz OEGVUTKDMLUIMB-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-] ZINC000547561578 564494116 /nfs/dbraw/zinc/49/41/16/564494116.db2.gz CHSRPIWXXSRSIM-UHFFFAOYSA-N -2 3 378.372 2.746 20 0 GFADHL N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2cccc(Cl)c2)C(=O)[O-])c(Cl)c1 ZINC000547589153 564499380 /nfs/dbraw/zinc/49/93/80/564499380.db2.gz PLYUUJWRQYLVBX-CQSZACIVSA-N -2 3 399.255 2.839 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCC1 ZINC000547608699 564501611 /nfs/dbraw/zinc/50/16/11/564501611.db2.gz JDZZHYGAWAZDKA-CYBMUJFWSA-N -2 3 386.882 2.995 20 0 GFADHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000547611443 564502385 /nfs/dbraw/zinc/50/23/85/564502385.db2.gz GJKYACBDOIVBAT-CQSZACIVSA-N -2 3 385.228 2.969 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)s1 ZINC000547615960 564503501 /nfs/dbraw/zinc/50/35/01/564503501.db2.gz QLNJXQRYEZBHRV-VIFPVBQESA-N -2 3 396.309 2.985 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)ccc1[O-] ZINC000481446863 564512812 /nfs/dbraw/zinc/51/28/12/564512812.db2.gz AREDVJYJHFTYJZ-UHFFFAOYSA-N -3 3 384.797 2.503 20 0 GFADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1 ZINC000548197724 564534884 /nfs/dbraw/zinc/53/48/84/564534884.db2.gz HXZVDKOQSHQKIP-UHFFFAOYSA-N -2 3 382.825 2.822 20 0 GFADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000548357919 564550141 /nfs/dbraw/zinc/55/01/41/564550141.db2.gz KAQJKUNUFSSEKV-DOMZBBRYSA-N -2 3 396.292 2.930 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C ZINC000548559452 564560192 /nfs/dbraw/zinc/56/01/92/564560192.db2.gz MRGKKGCUBNPAIJ-LLVKDONJSA-N -2 3 391.873 2.684 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1F ZINC000548562609 564560701 /nfs/dbraw/zinc/56/07/01/564560701.db2.gz XJQLDXNUIHIDTN-ZDUSSCGKSA-N -2 3 377.315 2.737 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccc(Cl)c1 ZINC000548591990 564565280 /nfs/dbraw/zinc/56/52/80/564565280.db2.gz DYGMPMCRVHFLNO-LLVKDONJSA-N -2 3 394.630 2.800 20 0 GFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000548592497 564565759 /nfs/dbraw/zinc/56/57/59/564565759.db2.gz NEOYKSJFWFAVQZ-AWEZNQCLSA-N -2 3 389.807 2.901 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])sc1Br ZINC000548619787 564567393 /nfs/dbraw/zinc/56/73/93/564567393.db2.gz QHGMSNHECQYSMK-QMMMGPOBSA-N -2 3 384.317 2.987 20 0 GFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000573211409 564628334 /nfs/dbraw/zinc/62/83/34/564628334.db2.gz OZDTVZJHGYUWNT-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551239017 564643630 /nfs/dbraw/zinc/64/36/30/564643630.db2.gz YHBJHQSOJIFSMS-SECBINFHSA-N -2 3 384.679 2.880 20 0 GFADHL C[C@H]1CCC[C@H](CC[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000522378382 564651042 /nfs/dbraw/zinc/65/10/42/564651042.db2.gz XRDYJPWGJASUOL-QWHCGFSZSA-N -2 3 392.518 2.692 20 0 GFADHL C[C@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000522378384 564651211 /nfs/dbraw/zinc/65/12/11/564651211.db2.gz XRDYJPWGJASUOL-STQMWFEESA-N -2 3 392.518 2.692 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Oc1ccccc1 ZINC000576244257 564709172 /nfs/dbraw/zinc/70/91/72/564709172.db2.gz MAYMZFKWZCXCKI-AWEZNQCLSA-N -2 3 390.244 2.804 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000526060681 564718063 /nfs/dbraw/zinc/71/80/63/564718063.db2.gz MRMFVPUKNZIYDN-NEPJUHHUSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000554666490 564769354 /nfs/dbraw/zinc/76/93/54/564769354.db2.gz JYBXDNLCADHARY-GFCCVEGCSA-N -2 3 380.388 2.802 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]CCC[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000555374611 564792011 /nfs/dbraw/zinc/79/20/11/564792011.db2.gz SRNAOJQUZZYSCD-CQSZACIVSA-N -2 3 382.507 2.708 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000556779289 564839919 /nfs/dbraw/zinc/83/99/19/564839919.db2.gz SLIIACSGLJLOLF-JTQLQIEISA-N -2 3 382.663 2.634 20 0 GFADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000582521644 564849950 /nfs/dbraw/zinc/84/99/50/564849950.db2.gz UBGMAPSJOLSTGN-YGRLFVJLSA-N -2 3 380.388 2.660 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1ccccc1Cl ZINC000530530401 564886482 /nfs/dbraw/zinc/88/64/82/564886482.db2.gz YNMPLHNPSHSYEP-OAHLLOKOSA-N -2 3 380.809 2.727 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Oc2ccccc2)C(=O)[O-])sc1Cl ZINC000559153230 564924587 /nfs/dbraw/zinc/92/45/87/564924587.db2.gz KRUMQCICBGWSCP-NSHDSACASA-N -2 3 375.855 2.520 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCCC1 ZINC000534784016 564996414 /nfs/dbraw/zinc/99/64/14/564996414.db2.gz ALXOPIZHAMKSMQ-UHFFFAOYSA-N -2 3 382.663 2.778 20 0 GFADHL O=C([O-])CCC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000659398652 565217233 /nfs/dbraw/zinc/21/72/33/565217233.db2.gz XBOLZEICZQGALF-UHFFFAOYSA-N -2 3 385.258 2.941 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000672485666 565811005 /nfs/dbraw/zinc/81/10/05/565811005.db2.gz UAUZEYJRMUCQRG-QMMMGPOBSA-N -2 3 390.795 2.629 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])c(F)cc1Br ZINC000650430524 565820418 /nfs/dbraw/zinc/82/04/18/565820418.db2.gz PZNISFINGIMBRE-JTQLQIEISA-N -2 3 394.262 2.676 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000650427500 565820582 /nfs/dbraw/zinc/82/05/82/565820582.db2.gz LANVHCXIMSGSSE-SSDOTTSWSA-N -2 3 387.763 2.770 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])s1 ZINC000650431016 565821134 /nfs/dbraw/zinc/82/11/34/565821134.db2.gz DQTGOSIHVPNUDH-SECBINFHSA-N -2 3 382.301 2.598 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c(Cl)c1Cl ZINC000650430877 565821289 /nfs/dbraw/zinc/82/12/89/565821289.db2.gz AJDHZRZJZKAXCR-SECBINFHSA-N -2 3 382.265 2.781 20 0 GFADHL COC1(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)[O-])CCC1 ZINC000650432710 565821515 /nfs/dbraw/zinc/82/15/15/565821515.db2.gz GDKBSBCEMNMPBX-LLVKDONJSA-N -2 3 382.265 2.684 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-] ZINC000629294245 565837887 /nfs/dbraw/zinc/83/78/87/565837887.db2.gz CMPAVOPSUYWLFI-UHFFFAOYSA-N -2 3 382.251 2.676 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000629294753 565837680 /nfs/dbraw/zinc/83/76/80/565837680.db2.gz BGLBQNAWXASZBP-ZIAGYGMSSA-N -2 3 387.454 2.710 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000629294750 565837730 /nfs/dbraw/zinc/83/77/30/565837730.db2.gz BGLBQNAWXASZBP-KBPBESRZSA-N -2 3 387.454 2.710 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@H](C(=O)[O-])CC2)sc1Br ZINC000630434412 565901200 /nfs/dbraw/zinc/90/12/00/565901200.db2.gz UQTDHRMQVIRBQI-KYZUINATSA-N -2 3 382.301 2.741 20 0 GFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)C(=O)[O-])c1Cl ZINC000681570770 566113140 /nfs/dbraw/zinc/11/31/40/566113140.db2.gz NCMWCYRSASQHTN-PWSUYJOCSA-N -2 3 396.292 2.768 20 0 GFADHL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736504424 599028939 /nfs/dbraw/zinc/02/89/39/599028939.db2.gz UMJQUUPBFKFQGV-UHFFFAOYSA-N -2 3 397.464 2.736 20 0 GFADHL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736504424 599028941 /nfs/dbraw/zinc/02/89/41/599028941.db2.gz UMJQUUPBFKFQGV-UHFFFAOYSA-N -2 3 397.464 2.736 20 0 GFADHL CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000819966018 599232427 /nfs/dbraw/zinc/23/24/27/599232427.db2.gz SMXWKQGUCIOGSW-UHFFFAOYSA-N -2 3 382.446 2.561 20 0 GFADHL CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000819966018 599232429 /nfs/dbraw/zinc/23/24/29/599232429.db2.gz SMXWKQGUCIOGSW-UHFFFAOYSA-N -2 3 382.446 2.561 20 0 GFADHL CC(C)c1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000820198207 599233444 /nfs/dbraw/zinc/23/34/44/599233444.db2.gz SKRIEMOXJNPLOY-UHFFFAOYSA-N -2 3 384.874 2.901 20 0 GFADHL CC(C)c1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000820198207 599233446 /nfs/dbraw/zinc/23/34/46/599233446.db2.gz SKRIEMOXJNPLOY-UHFFFAOYSA-N -2 3 384.874 2.901 20 0 GFADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736439012 599245610 /nfs/dbraw/zinc/24/56/10/599245610.db2.gz QTWNJNZVVRJRFI-ZDUSSCGKSA-N -2 3 379.486 2.587 20 0 GFADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736439012 599245612 /nfs/dbraw/zinc/24/56/12/599245612.db2.gz QTWNJNZVVRJRFI-ZDUSSCGKSA-N -2 3 379.486 2.587 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c(F)c1 ZINC000737368605 598283588 /nfs/dbraw/zinc/28/35/88/598283588.db2.gz AJFHXGOQFNKENQ-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737614659 598381868 /nfs/dbraw/zinc/38/18/68/598381868.db2.gz XCPYTOWHCZVESH-UHFFFAOYSA-N -2 3 388.840 2.813 20 0 GFADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737614659 598381870 /nfs/dbraw/zinc/38/18/70/598381870.db2.gz XCPYTOWHCZVESH-UHFFFAOYSA-N -2 3 388.840 2.813 20 0 GFADHL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735603998 598414120 /nfs/dbraw/zinc/41/41/20/598414120.db2.gz QLTYWYWHSSCVQE-UHFFFAOYSA-N -2 3 385.877 2.541 20 0 GFADHL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735603998 598414122 /nfs/dbraw/zinc/41/41/22/598414122.db2.gz QLTYWYWHSSCVQE-UHFFFAOYSA-N -2 3 385.877 2.541 20 0 GFADHL O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccccc1-c1nnn[n-]1 ZINC000738341001 598755257 /nfs/dbraw/zinc/75/52/57/598755257.db2.gz BNOMKVNOGDYIAN-UHFFFAOYSA-N -2 3 394.416 2.855 20 0 GFADHL O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccccc1-c1nn[n-]n1 ZINC000738341001 598755258 /nfs/dbraw/zinc/75/52/58/598755258.db2.gz BNOMKVNOGDYIAN-UHFFFAOYSA-N -2 3 394.416 2.855 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)nc2)o1 ZINC000740176456 599777220 /nfs/dbraw/zinc/77/72/20/599777220.db2.gz DVTCDSAYDKCNIF-UHFFFAOYSA-N -2 3 380.422 2.563 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(Cl)nc2sccn21)c1cccs1 ZINC000321633420 599981229 /nfs/dbraw/zinc/98/12/29/599981229.db2.gz OOEHMEINZVDCQV-ZETCQYMHSA-N -2 3 391.883 2.605 20 0 GFADHL O=C([O-])[C@@H](CNC(=O)c1cc2c(cc1[O-])OCO2)Cc1cccc2ccccc21 ZINC000739404237 600181142 /nfs/dbraw/zinc/18/11/42/600181142.db2.gz UHBKAELVMXNSBY-OAHLLOKOSA-N -2 3 393.395 2.947 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c(F)cc1F ZINC000740090122 600231605 /nfs/dbraw/zinc/23/16/05/600231605.db2.gz SPIDGDDEWSFHQG-UHFFFAOYSA-N -2 3 391.735 2.846 20 0 GFADHL COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000487329545 600488548 /nfs/dbraw/zinc/48/85/48/600488548.db2.gz ZWXNFRYDDFIREK-UHFFFAOYSA-N -2 3 393.417 2.518 20 0 GFADHL Cc1nc(C)c(CC(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c(=O)[n-]1 ZINC000738845901 600602040 /nfs/dbraw/zinc/60/20/40/600602040.db2.gz YVKBFXPQNLHKIR-QGZVFWFLSA-N -2 3 393.443 2.554 20 0 GFADHL COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1C(=O)[O-] ZINC000831327722 600688019 /nfs/dbraw/zinc/68/80/19/600688019.db2.gz MKZMIYLYXRYEFL-UHFFFAOYSA-N -2 3 377.418 2.897 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000061609293 600774410 /nfs/dbraw/zinc/77/44/10/600774410.db2.gz NBPKLNCTGMQMML-SNVBAGLBSA-N -2 3 390.280 2.657 20 0 GFADHL COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832588713 601232809 /nfs/dbraw/zinc/23/28/09/601232809.db2.gz HAICSAACEQURHM-UHFFFAOYSA-N -2 3 399.415 2.928 20 0 GFADHL Cc1ccc(OCCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832952563 601233869 /nfs/dbraw/zinc/23/38/69/601233869.db2.gz SCXOJOUWEHLWEE-UHFFFAOYSA-N -2 3 385.388 2.719 20 0 GFADHL COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832216636 601234000 /nfs/dbraw/zinc/23/40/00/601234000.db2.gz FCWOGFRZHXFNHJ-UHFFFAOYSA-N -2 3 399.415 2.928 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1cccs1 ZINC000325364142 601235410 /nfs/dbraw/zinc/23/54/10/601235410.db2.gz FIRLLNIURZPHQV-UHFFFAOYSA-N -2 3 375.418 2.981 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c1F ZINC000833294468 601236445 /nfs/dbraw/zinc/23/64/45/601236445.db2.gz CWQLMVWGWUOXBE-LLVKDONJSA-N -2 3 387.335 2.604 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000433517103 601250648 /nfs/dbraw/zinc/25/06/48/601250648.db2.gz QCQXLEBGQQNHDP-UHFFFAOYSA-N -2 3 376.434 2.504 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])c(Cl)cc1Cl ZINC000760116146 601258189 /nfs/dbraw/zinc/25/81/89/601258189.db2.gz BHPWVZCCAUDPDA-UHFFFAOYSA-N -2 3 398.264 2.702 20 0 GFADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000829339936 601404051 /nfs/dbraw/zinc/40/40/51/601404051.db2.gz LUHHFYFJYPKDNZ-GFCCVEGCSA-N -2 3 394.852 2.749 20 0 GFADHL C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313753 602143892 /nfs/dbraw/zinc/14/38/92/602143892.db2.gz GUUROUWATODLPB-SSDOTTSWSA-N -2 3 394.268 2.711 20 0 GFADHL CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000068601928 602157718 /nfs/dbraw/zinc/15/77/18/602157718.db2.gz LQLIYRBTMAUJMT-BDAKNGLRSA-N -2 3 380.260 2.987 20 0 GFADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(F)c3)cc2F)c1 ZINC000547591802 602321955 /nfs/dbraw/zinc/32/19/55/602321955.db2.gz CTLLAMHLUSKGOM-UHFFFAOYSA-N -2 3 393.371 2.958 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](CNC(=O)[O-])CC(C)C)cc2)cc(=O)[n-]1 ZINC000740211203 602573569 /nfs/dbraw/zinc/57/35/69/602573569.db2.gz YPVJVSDWZJHPEM-OAHLLOKOSA-N -2 3 387.440 2.961 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])cc1C(=O)[O-] ZINC000740148803 602646404 /nfs/dbraw/zinc/64/64/04/602646404.db2.gz XWXAIMHFCCMKIZ-UHFFFAOYSA-N -3 3 390.417 2.925 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)ccc1F ZINC000828760890 603631210 /nfs/dbraw/zinc/63/12/10/603631210.db2.gz KCTIGGCWKPIGHR-UHFFFAOYSA-N -2 3 386.332 2.642 20 0 GFADHL O=C([O-])c1cccc(NC2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)c1 ZINC000833332051 604781694 /nfs/dbraw/zinc/78/16/94/604781694.db2.gz LOFFHLQHAKABQF-UHFFFAOYSA-N -2 3 392.415 2.750 20 0 GFADHL CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833428343 605027682 /nfs/dbraw/zinc/02/76/82/605027682.db2.gz YFBRJTAHJKSCMN-BXKDBHETSA-N -2 3 377.409 2.535 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c(Cl)n1 ZINC000833733456 605183150 /nfs/dbraw/zinc/18/31/50/605183150.db2.gz QAYMEMXUVSUZTL-UHFFFAOYSA-N -2 3 393.808 2.791 20 0 GFADHL C[C@]1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC[C@H]1C(=O)[O-] ZINC000833568970 605246934 /nfs/dbraw/zinc/24/69/34/605246934.db2.gz JKFWKMYAGNRXEF-HZMBPMFUSA-N -2 3 394.262 2.900 20 0 GFADHL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000822328092 606331601 /nfs/dbraw/zinc/33/16/01/606331601.db2.gz LJVMQYPOQGXBMR-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000822328092 606331603 /nfs/dbraw/zinc/33/16/03/606331603.db2.gz LJVMQYPOQGXBMR-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1Cl ZINC000822267240 606622627 /nfs/dbraw/zinc/62/26/27/606622627.db2.gz PLLFCKMAFGXPMZ-UHFFFAOYSA-N -2 3 395.876 2.581 20 0 GFADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000821589241 606751084 /nfs/dbraw/zinc/75/10/84/606751084.db2.gz DYDDZXFEQSCZLT-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1F ZINC000822203142 606820880 /nfs/dbraw/zinc/82/08/80/606820880.db2.gz GOUJTPVKBHHNHA-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1F ZINC000822203142 606820883 /nfs/dbraw/zinc/82/08/83/606820883.db2.gz GOUJTPVKBHHNHA-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL O=S(=O)([N-][C@@H]1CCCc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572649 606883626 /nfs/dbraw/zinc/88/36/26/606883626.db2.gz JVMWAQRKDCJZNS-OAHLLOKOSA-N -2 3 391.403 2.501 20 0 GFADHL COc1ccc(-c2nc(SC/C=C\Cl)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821733031 607160638 /nfs/dbraw/zinc/16/06/38/607160638.db2.gz YLOUNGDYRADPKC-UQCOIBPSSA-N -2 3 376.829 2.883 20 0 GFADHL O=c1[n-]c(Oc2cccc(F)c2-c2nnn[n-]2)nc2c1cnn2-c1ccccc1 ZINC000826500514 607867278 /nfs/dbraw/zinc/86/72/78/607867278.db2.gz APEMVSHWWWCDMT-UHFFFAOYSA-N -2 3 390.338 2.633 20 0 GFADHL CSc1c(F)cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1F ZINC000826229935 609469314 /nfs/dbraw/zinc/46/93/14/609469314.db2.gz XFAZYQPVPKCGIE-UHFFFAOYSA-N -2 3 383.405 2.668 20 0 GFADHL CSc1c(F)cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1F ZINC000826229935 609469316 /nfs/dbraw/zinc/46/93/16/609469316.db2.gz XFAZYQPVPKCGIE-UHFFFAOYSA-N -2 3 383.405 2.668 20 0 GFADHL C[C@@H](CCC[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000276990804 655297084 /nfs/dbraw/zinc/29/70/84/655297084.db2.gz ZZPUPJWQGAKYSO-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=c1nc(CN2CCOC[C@@H]2C=C([O-])c2cccs2)[n-]c2ccsc21 ZINC000299478451 655376651 /nfs/dbraw/zinc/37/66/51/655376651.db2.gz ZENVQDODAFEKRC-NSHDSACASA-N -2 3 375.475 2.932 20 0 GFADHL COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000327757686 655386521 /nfs/dbraw/zinc/38/65/21/655386521.db2.gz HUWWELHKRHFYKW-UHFFFAOYSA-N -2 3 391.779 2.804 20 0 GFADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000576155796 655444659 /nfs/dbraw/zinc/44/46/59/655444659.db2.gz GUGVVELYCOOFIF-SNVBAGLBSA-N -2 3 388.854 2.687 20 0 GFADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])no1 ZINC000576396563 655446662 /nfs/dbraw/zinc/44/66/62/655446662.db2.gz IGCWZLGYYPRGNU-UHFFFAOYSA-N -2 3 381.435 2.505 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000576924670 655454798 /nfs/dbraw/zinc/45/47/98/655454798.db2.gz PWJNUMGAHWMSPI-QGZVFWFLSA-N -2 3 393.237 2.618 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000580354999 655511555 /nfs/dbraw/zinc/51/15/55/655511555.db2.gz PUMKIRWWSSCFAM-VIFPVBQESA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)c(F)cc1F ZINC000761237633 656004390 /nfs/dbraw/zinc/00/43/90/656004390.db2.gz GCWOYPMRLUOGQN-UHFFFAOYSA-N -2 3 375.780 2.837 20 0 GFADHL C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761263527 656005927 /nfs/dbraw/zinc/00/59/27/656005927.db2.gz OTRRGBBTBGSNOI-QMTHXVAHSA-N -2 3 377.409 2.537 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)s1 ZINC000769634898 656283657 /nfs/dbraw/zinc/28/36/57/656283657.db2.gz XEAAEHHKSXKJEX-UHFFFAOYSA-N -3 3 396.215 2.854 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)c(Cl)cc1Cl ZINC000776570277 656760292 /nfs/dbraw/zinc/76/02/92/656760292.db2.gz ANGLMLXHWDRHNX-NSHDSACASA-N -2 3 398.264 2.558 20 0 GFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000776617821 656768344 /nfs/dbraw/zinc/76/83/44/656768344.db2.gz VCUUYIKJBXJCHJ-OIBJUYFYSA-N -2 3 384.317 2.987 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)c(C)c1Cl ZINC000788440081 657718051 /nfs/dbraw/zinc/71/80/51/657718051.db2.gz FAHUAEZDJKBWBO-QMMMGPOBSA-N -2 3 397.902 2.664 20 0 GFADHL C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000809150798 659918347 /nfs/dbraw/zinc/91/83/47/659918347.db2.gz MEROJXFGKXJVLK-ANRSDYALSA-N -2 3 385.800 2.978 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCCCC1 ZINC000841777042 661312247 /nfs/dbraw/zinc/31/22/47/661312247.db2.gz UYDUZGPJHYUUFJ-UHFFFAOYSA-N -2 3 397.678 2.563 20 0 GFADHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000853068798 661880419 /nfs/dbraw/zinc/88/04/19/661880419.db2.gz FDENHXPPZCPLOX-VIFPVBQESA-N -2 3 380.647 2.554 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)CCS2 ZINC000899950465 663704109 /nfs/dbraw/zinc/70/41/09/663704109.db2.gz YYQNDOMABBEBCS-JVVWGOMOSA-N -2 3 381.928 2.809 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCCCCC2)c(Br)o1 ZINC000389565493 677408466 /nfs/dbraw/zinc/40/84/66/677408466.db2.gz YVBLCNFQGFHXRZ-UHFFFAOYSA-N -2 3 380.260 2.989 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccsc2Br)c(F)c1 ZINC000388558379 563521412 /nfs/dbraw/zinc/52/14/12/563521412.db2.gz DVWWPKSPKSCLEG-UHFFFAOYSA-N -2 3 394.243 2.826 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1cccs1 ZINC000161827018 551598817 /nfs/dbraw/zinc/59/88/17/551598817.db2.gz MZKBXDUQLNVGEE-NSHDSACASA-N -2 3 394.243 2.754 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)cc(C)c1F ZINC000172883844 551689312 /nfs/dbraw/zinc/68/93/12/551689312.db2.gz QWCVJMFGZDUSEQ-UHFFFAOYSA-N -2 3 390.433 2.754 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c(F)c1 ZINC000238124132 553086349 /nfs/dbraw/zinc/08/63/49/553086349.db2.gz HEXPYQWROLVTRR-UHFFFAOYSA-N -2 3 388.214 2.765 20 0 GFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1Cl ZINC000319076823 563444872 /nfs/dbraw/zinc/44/48/72/563444872.db2.gz BDEOGPSWGSASFS-QMMMGPOBSA-N -2 3 376.208 2.997 20 0 GFADHL CSCCO[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000280109997 563323253 /nfs/dbraw/zinc/32/32/53/563323253.db2.gz VBCRTIPPTZQGQF-UHFFFAOYSA-N -2 3 386.520 2.502 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1nccs1 ZINC000325967768 563454496 /nfs/dbraw/zinc/45/44/96/563454496.db2.gz UKPCEWZAINRDDG-UHFFFAOYSA-N -2 3 390.870 2.717 20 0 GFADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1cnc2ccsc2c1)C(F)(F)F ZINC000285050579 563500887 /nfs/dbraw/zinc/50/08/87/563500887.db2.gz JPGDKGFSHZJFPJ-MRVPVSSYSA-N -2 3 382.385 2.618 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl)CC(=O)[O-] ZINC000392812807 563527993 /nfs/dbraw/zinc/52/79/93/563527993.db2.gz DCMIIXZKYLSFBX-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2noc3c2CCCC3)cc(F)c1Cl ZINC000287359078 563598122 /nfs/dbraw/zinc/59/81/22/563598122.db2.gz YCXLIZMEXXGNLI-UHFFFAOYSA-N -2 3 388.804 2.523 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F)C(F)F ZINC000414333042 563727087 /nfs/dbraw/zinc/72/70/87/563727087.db2.gz VSVGHCQAACXOAI-SSDOTTSWSA-N -2 3 377.287 2.605 20 0 GFADHL O=C([O-])[C@@H](CCSc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000565455012 564281928 /nfs/dbraw/zinc/28/19/28/564281928.db2.gz OHDNRGAGFHDZAQ-OAHLLOKOSA-N -2 3 387.429 2.879 20 0 GFADHL COC1(CS(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])CCCC1 ZINC000565687876 564290907 /nfs/dbraw/zinc/29/09/07/564290907.db2.gz POUVKYMTACTXQZ-UHFFFAOYSA-N -2 3 392.271 2.848 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000566177711 564314362 /nfs/dbraw/zinc/31/43/62/564314362.db2.gz WCCOTPBDOBJVBP-UHFFFAOYSA-N -2 3 388.492 2.659 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC000476260829 564332675 /nfs/dbraw/zinc/33/26/75/564332675.db2.gz QPVRNFWOVOFJHW-UHFFFAOYSA-N -2 3 386.223 2.957 20 0 GFADHL CC(C)c1nc(=NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s[n-]1 ZINC000566965164 564351736 /nfs/dbraw/zinc/35/17/36/564351736.db2.gz SXYDMXIAYKOCCP-UHFFFAOYSA-N -2 3 395.337 2.781 20 0 GFADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)s1 ZINC000567276356 564364310 /nfs/dbraw/zinc/36/43/10/564364310.db2.gz GGFCVZYXIPCIJX-UHFFFAOYSA-N -2 3 390.870 2.544 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000567885316 564395003 /nfs/dbraw/zinc/39/50/03/564395003.db2.gz JTJYWJIUNICOTI-GZMMTYOYSA-N -2 3 382.265 2.924 20 0 GFADHL CCC1(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCCC1 ZINC000545158771 564410330 /nfs/dbraw/zinc/41/03/30/564410330.db2.gz MMYGFZZKZFOCEV-UHFFFAOYSA-N -2 3 392.518 2.836 20 0 GFADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000516040527 564491113 /nfs/dbraw/zinc/49/11/13/564491113.db2.gz JZYKBZMBMVIXTP-SECBINFHSA-N -2 3 385.335 2.646 20 0 GFADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000547547214 564493387 /nfs/dbraw/zinc/49/33/87/564493387.db2.gz VBRGRNSZGZYPQL-UHFFFAOYSA-N -2 3 382.419 2.957 20 0 GFADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547551646 564493515 /nfs/dbraw/zinc/49/35/15/564493515.db2.gz GWNIBMZBKVWWEL-NHYWBVRUSA-N -2 3 383.853 2.651 20 0 GFADHL CC1CCC(C)(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000480956915 564496955 /nfs/dbraw/zinc/49/69/55/564496955.db2.gz PKOJSAXIJMUFMS-UHFFFAOYSA-N -2 3 392.518 2.692 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-] ZINC000547608414 564501781 /nfs/dbraw/zinc/50/17/81/564501781.db2.gz BQFPKLXUDAZVAW-CYBMUJFWSA-N -2 3 388.898 2.643 20 0 GFADHL COC(=O)c1ccccc1CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000547870090 564514021 /nfs/dbraw/zinc/51/40/21/564514021.db2.gz YFJIDBNVUNBELW-UHFFFAOYSA-N -2 3 383.809 2.767 20 0 GFADHL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000547893127 564516987 /nfs/dbraw/zinc/51/69/87/564516987.db2.gz YOZCCEIXRCYXDX-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cncc(F)c1)c1c(Cl)cccc1Cl ZINC000547903948 564519353 /nfs/dbraw/zinc/51/93/53/564519353.db2.gz GGQTXAQASMUSNN-GFCCVEGCSA-N -2 3 379.196 2.632 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000547931890 564522804 /nfs/dbraw/zinc/52/28/04/564522804.db2.gz NCXOOOTZJKWCBN-UHFFFAOYSA-N -2 3 391.873 2.686 20 0 GFADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000547939312 564524356 /nfs/dbraw/zinc/52/43/56/564524356.db2.gz BXBLWHXEIHGSJW-CYBMUJFWSA-N -2 3 375.780 2.592 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CSCC=C(C)C)C(=O)[O-] ZINC000571150198 564538129 /nfs/dbraw/zinc/53/81/29/564538129.db2.gz JZFPUSRPJJWKIL-LBPRGKRZSA-N -2 3 393.914 2.780 20 0 GFADHL COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000548222373 564538457 /nfs/dbraw/zinc/53/84/57/564538457.db2.gz LIQFUGLVCSHHET-UHFFFAOYSA-N -2 3 385.825 2.864 20 0 GFADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)(C(=O)[O-])C1(C)C ZINC000548357567 564550239 /nfs/dbraw/zinc/55/02/39/564550239.db2.gz VVHAMIZNCUZKSQ-WFASDCNBSA-N -2 3 396.292 2.930 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1cccnc1 ZINC000548553682 564559451 /nfs/dbraw/zinc/55/94/51/564559451.db2.gz FIBKBJNIPKPWMP-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000548559814 564560318 /nfs/dbraw/zinc/56/03/18/564560318.db2.gz URSRFZVSDUKLSF-AWEZNQCLSA-N -2 3 393.770 2.732 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1c(F)cccc1F ZINC000548588111 564564617 /nfs/dbraw/zinc/56/46/17/564564617.db2.gz HOPIZCJEDUELEU-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1OC ZINC000571997518 564576414 /nfs/dbraw/zinc/57/64/14/564576414.db2.gz CAINJGWJBRKKEA-MRVPVSSYSA-N -2 3 389.426 2.642 20 0 GFADHL C[C@H]([C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-])C1CC1 ZINC000548867427 564578565 /nfs/dbraw/zinc/57/85/65/564578565.db2.gz JHGRXGJXGJPISD-CPCISQLKSA-N -2 3 396.690 2.880 20 0 GFADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000572524274 564599114 /nfs/dbraw/zinc/59/91/14/564599114.db2.gz ZKNMNWHWEUYWPI-LLVKDONJSA-N -2 3 382.251 2.756 20 0 GFADHL C[C@@H]1CCC[C@H](CC[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000522378378 564651222 /nfs/dbraw/zinc/65/12/22/564651222.db2.gz XRDYJPWGJASUOL-CHWSQXEVSA-N -2 3 392.518 2.692 20 0 GFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551593689 564656828 /nfs/dbraw/zinc/65/68/28/564656828.db2.gz YHBJHQSOJIFSMS-VIFPVBQESA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000574041468 564666105 /nfs/dbraw/zinc/66/61/05/564666105.db2.gz RYEKLUAMGDXQGB-CMPLNLGQSA-N -2 3 391.287 2.546 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)CC(=O)[O-] ZINC000527052067 564727769 /nfs/dbraw/zinc/72/77/69/564727769.db2.gz FESWQTFOIJTSBN-NWDGAFQWSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000527199554 564733763 /nfs/dbraw/zinc/73/37/63/564733763.db2.gz GDGRCASXLBNMNE-UHFFFAOYSA-N -2 3 381.740 2.711 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000580399104 564756041 /nfs/dbraw/zinc/75/60/41/564756041.db2.gz XGPJBCSJEJTCQW-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL O=C([O-])[C@@H](CCSc1ccccc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000580865842 564777101 /nfs/dbraw/zinc/77/71/01/564777101.db2.gz UPBPESZZVFMUAL-CQSZACIVSA-N -2 3 386.882 2.649 20 0 GFADHL O=C([O-])[C@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000555426799 564793081 /nfs/dbraw/zinc/79/30/81/564793081.db2.gz ZSIYPJMHTNEYIF-SWLSCSKDSA-N -2 3 393.864 2.542 20 0 GFADHL CCO[C@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)C(C)C ZINC000581486303 564804589 /nfs/dbraw/zinc/80/45/89/564804589.db2.gz FFGKQIYVZYKDQF-CYBMUJFWSA-N -2 3 393.889 2.776 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](Oc2ccc(F)cc2)C(=O)[O-])sc1Cl ZINC000530541440 564887234 /nfs/dbraw/zinc/88/72/34/564887234.db2.gz DQTIGFQJGKWUAK-LLVKDONJSA-N -2 3 393.845 2.660 20 0 GFADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-])C1CC1 ZINC000558686658 564911550 /nfs/dbraw/zinc/91/15/50/564911550.db2.gz VNRFKKMUOISCAT-KRTXAFLBSA-N -2 3 396.690 2.880 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc(C)c(C(F)(F)F)s2)ccc1[O-] ZINC000559775133 564939479 /nfs/dbraw/zinc/93/94/79/564939479.db2.gz VAGKERDDCXFWAK-UHFFFAOYSA-N -2 3 396.368 2.763 20 0 GFADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c(C)o1 ZINC000536095791 565028674 /nfs/dbraw/zinc/02/86/74/565028674.db2.gz VQZLPJYBXBFEQS-UHFFFAOYSA-N -2 3 379.221 2.761 20 0 GFADHL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC000504704492 565043803 /nfs/dbraw/zinc/04/38/03/565043803.db2.gz XCBHFIKMXKQLAG-NSHDSACASA-N -2 3 379.459 2.988 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CCC1 ZINC000663256953 565403960 /nfs/dbraw/zinc/40/39/60/565403960.db2.gz RGIUELFQNCWNTP-SNVBAGLBSA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(F)(F)F ZINC000663294709 565409486 /nfs/dbraw/zinc/40/94/86/565409486.db2.gz YMKUGZWXHCJIBI-SECBINFHSA-N -2 3 391.770 2.942 20 0 GFADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-])C1CC1 ZINC000644629208 565485505 /nfs/dbraw/zinc/48/55/05/565485505.db2.gz BPTRZCIGXHWFRM-JVXZTZIISA-N -2 3 385.335 2.502 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1cccs1 ZINC000672786524 565816589 /nfs/dbraw/zinc/81/65/89/565816589.db2.gz WATHCLCMRGULSX-MRVPVSSYSA-N -2 3 380.369 2.656 20 0 GFADHL COC1(C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)[O-])CCC1 ZINC000650432047 565821392 /nfs/dbraw/zinc/82/13/92/565821392.db2.gz LNVQNJMUMKUZBN-NSHDSACASA-N -2 3 382.265 2.684 20 0 GFADHL CCOC1(CS(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[O-])CCOCC1 ZINC000629290673 565836086 /nfs/dbraw/zinc/83/60/86/565836086.db2.gz UYVYZRIQKOGCRU-UHFFFAOYSA-N -2 3 383.388 2.738 20 0 GFADHL CCO[C@H](CS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)[O-])C1CC1 ZINC000629288873 565836446 /nfs/dbraw/zinc/83/64/46/565836446.db2.gz LMSQVTUBMLEPGU-CYBMUJFWSA-N -2 3 392.271 2.704 20 0 GFADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-])C1CC1 ZINC000656169644 566109723 /nfs/dbraw/zinc/10/97/23/566109723.db2.gz YZQLFJAMSMQNDD-KBPBESRZSA-N -2 3 383.491 2.756 20 0 GFADHL COc1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000681555963 566111524 /nfs/dbraw/zinc/11/15/24/566111524.db2.gz KTMOJVYKDYFUPZ-AWEZNQCLSA-N -2 3 387.816 2.982 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CCC)C(=O)[O-] ZINC000656509113 566129359 /nfs/dbraw/zinc/12/93/59/566129359.db2.gz LUXCZJZCLWXVFA-LLVKDONJSA-N -2 3 394.287 2.770 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)CC(=O)[O-] ZINC000656513481 566130987 /nfs/dbraw/zinc/13/09/87/566130987.db2.gz YSRFWVZTEJNTTP-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CC(C)O[C@]1(CS(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[O-])CCOC1 ZINC000634789449 566176827 /nfs/dbraw/zinc/17/68/27/566176827.db2.gz ONSPPVMKMGOVFF-CQSZACIVSA-N -2 3 383.388 2.737 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000737226328 599030171 /nfs/dbraw/zinc/03/01/71/599030171.db2.gz VQCGJZWQUXFANR-UHFFFAOYSA-N -2 3 390.494 2.701 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000737226328 599030174 /nfs/dbraw/zinc/03/01/74/599030174.db2.gz VQCGJZWQUXFANR-UHFFFAOYSA-N -2 3 390.494 2.701 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736446201 598536425 /nfs/dbraw/zinc/53/64/25/598536425.db2.gz ODUDMFMRGXNMSW-AWEZNQCLSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736446201 598536427 /nfs/dbraw/zinc/53/64/27/598536427.db2.gz ODUDMFMRGXNMSW-AWEZNQCLSA-N -2 3 393.513 2.809 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)cc1O ZINC000822259354 599304756 /nfs/dbraw/zinc/30/47/56/599304756.db2.gz VQILBJCBZOYVBG-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1O ZINC000822259354 599304758 /nfs/dbraw/zinc/30/47/58/599304758.db2.gz VQILBJCBZOYVBG-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000737821573 599855055 /nfs/dbraw/zinc/85/50/55/599855055.db2.gz OXZHUGGDBDJVMR-UHFFFAOYSA-N -2 3 379.434 2.530 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000178117294 599907047 /nfs/dbraw/zinc/90/70/47/599907047.db2.gz YHQCPERWZAODBO-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1cccc(F)c1 ZINC000739503009 599978781 /nfs/dbraw/zinc/97/87/81/599978781.db2.gz SARRJHCRXCKRBV-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1cccc(F)c1 ZINC000739502386 599979711 /nfs/dbraw/zinc/97/97/11/599979711.db2.gz PPEULQGIXHXJOC-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(C)(C)O)cc1 ZINC000605613893 600245805 /nfs/dbraw/zinc/24/58/05/600245805.db2.gz NHRSFFKTPNMCHI-UHFFFAOYSA-N -2 3 379.434 2.644 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)c1C(=O)[O-] ZINC000738744667 600246340 /nfs/dbraw/zinc/24/63/40/600246340.db2.gz MQYDIKHXULLCAK-UHFFFAOYSA-N -2 3 379.434 2.644 20 0 GFADHL O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000833215301 600762642 /nfs/dbraw/zinc/76/26/42/600762642.db2.gz FBEXHUAAGJTZOW-KDOFPFPSSA-N -2 3 394.427 2.602 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)c1F ZINC000833294914 601236324 /nfs/dbraw/zinc/23/63/24/601236324.db2.gz ZXKFDGKBRGNIHB-JTQLQIEISA-N -2 3 383.372 2.508 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2F)c1F ZINC000833294701 601237754 /nfs/dbraw/zinc/23/77/54/601237754.db2.gz GBRZNVXIMQJHDO-HQJQHLMTSA-N -2 3 389.326 2.776 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000827754728 601256410 /nfs/dbraw/zinc/25/64/10/601256410.db2.gz LQHKNHVBRIHHKT-PFEDMVJOSA-N -2 3 379.438 2.504 20 0 GFADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000013278688 601319724 /nfs/dbraw/zinc/31/97/24/601319724.db2.gz AECBDMRHIGNUMH-UHFFFAOYSA-N -2 3 385.781 2.576 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1OC ZINC000751142179 601840705 /nfs/dbraw/zinc/84/07/05/601840705.db2.gz ILAAYXPONLYKJB-UHFFFAOYSA-N -2 3 391.323 2.620 20 0 GFADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(F)cc1F ZINC000825890688 601859455 /nfs/dbraw/zinc/85/94/55/601859455.db2.gz RZISTMDWQXJORG-UHFFFAOYSA-N -2 3 388.323 2.561 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1-c1nn[n-]n1 ZINC000826303767 607534256 /nfs/dbraw/zinc/53/42/56/607534256.db2.gz DKQMCGDIQDANEL-UHFFFAOYSA-N -2 3 387.465 2.901 20 0 GFADHL Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)c2n1 ZINC000826295126 607535779 /nfs/dbraw/zinc/53/57/79/607535779.db2.gz SGDQNCKBMBVENZ-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)c2n1 ZINC000826295126 607535781 /nfs/dbraw/zinc/53/57/81/607535781.db2.gz SGDQNCKBMBVENZ-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1-c1nn[n-]n1 ZINC000826304100 607536688 /nfs/dbraw/zinc/53/66/88/607536688.db2.gz WALBCVNGQIBHKL-UHFFFAOYSA-N -2 3 395.391 2.620 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccncc1 ZINC000185020505 602157588 /nfs/dbraw/zinc/15/75/88/602157588.db2.gz PEIOGWMMYHRKNT-SECBINFHSA-N -2 3 389.227 2.565 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1noc(-c2ccccc2)n1 ZINC000827768439 602172580 /nfs/dbraw/zinc/17/25/80/602172580.db2.gz RDKPJCOQXHJMCP-SECBINFHSA-N -2 3 379.419 2.536 20 0 GFADHL O=C([O-])Nc1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(Cl)c1 ZINC000740700835 602906054 /nfs/dbraw/zinc/90/60/54/602906054.db2.gz CATUDSMNVASFJZ-UHFFFAOYSA-N -2 3 382.781 2.605 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@H](NC(=O)[O-])[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000740211066 603183341 /nfs/dbraw/zinc/18/33/41/603183341.db2.gz XEFGBHYTBPLFGV-NHYWBVRUSA-N -2 3 385.424 2.668 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1F ZINC000833294896 604653821 /nfs/dbraw/zinc/65/38/21/604653821.db2.gz YTPOGYYMHKRFDC-ZOWXZIJZSA-N -2 3 379.384 2.527 20 0 GFADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(=O)[O-])c(Cl)c3)ccc2O1 ZINC000828516659 604805741 /nfs/dbraw/zinc/80/57/41/604805741.db2.gz QGXQPDJIJTWHED-JTQLQIEISA-N -2 3 397.836 2.928 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1 ZINC000832468978 604806545 /nfs/dbraw/zinc/80/65/45/604806545.db2.gz YLKHRVRGQHDRIA-UHFFFAOYSA-N -2 3 385.825 2.921 20 0 GFADHL CCc1nc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)CCCC2)no1 ZINC000580190436 605002621 /nfs/dbraw/zinc/00/26/21/605002621.db2.gz TXXRWYYDCWQDPU-UHFFFAOYSA-N -2 3 399.856 2.731 20 0 GFADHL Cc1nc(C)c(CCC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c(=O)[n-]1 ZINC000325341081 605064170 /nfs/dbraw/zinc/06/41/70/605064170.db2.gz CIAJVBTZHUTZDN-UHFFFAOYSA-N -2 3 394.225 2.831 20 0 GFADHL CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833642216 605300770 /nfs/dbraw/zinc/30/07/70/605300770.db2.gz IDFZXJUYIRUECN-YPMHNXCESA-N -2 3 391.436 2.925 20 0 GFADHL O=C([O-])c1ccc(F)c(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000833781183 605812207 /nfs/dbraw/zinc/81/22/07/605812207.db2.gz UQGVTZSAZNRXTF-INIZCTEOSA-N -2 3 387.363 2.578 20 0 GFADHL CC(C)c1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000820192203 606621120 /nfs/dbraw/zinc/62/11/20/606621120.db2.gz GJYYTTGMRGAWIP-UHFFFAOYSA-N -2 3 389.485 2.742 20 0 GFADHL O=S(=O)([N-]c1cccc(CCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589407 606633243 /nfs/dbraw/zinc/63/32/43/606633243.db2.gz YLLIEWVFAQENMW-UHFFFAOYSA-N -2 3 398.370 2.557 20 0 GFADHL O=S(=O)([N-]c1cccc(CCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823589407 606633244 /nfs/dbraw/zinc/63/32/44/606633244.db2.gz YLLIEWVFAQENMW-UHFFFAOYSA-N -2 3 398.370 2.557 20 0 GFADHL CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820881807 606745691 /nfs/dbraw/zinc/74/56/91/606745691.db2.gz DCEWZNKTQXINMO-ZDUSSCGKSA-N -2 3 399.476 2.640 20 0 GFADHL CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820881807 606745693 /nfs/dbraw/zinc/74/56/93/606745693.db2.gz DCEWZNKTQXINMO-ZDUSSCGKSA-N -2 3 399.476 2.640 20 0 GFADHL CSc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821984965 606864115 /nfs/dbraw/zinc/86/41/15/606864115.db2.gz WJSOVWFCFWGPAO-UHFFFAOYSA-N -2 3 383.405 2.668 20 0 GFADHL CSc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821984965 606864117 /nfs/dbraw/zinc/86/41/17/606864117.db2.gz WJSOVWFCFWGPAO-UHFFFAOYSA-N -2 3 383.405 2.668 20 0 GFADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000820541932 607110363 /nfs/dbraw/zinc/11/03/63/607110363.db2.gz JZKPCZBOVKNZBG-VIFPVBQESA-N -2 3 387.783 2.624 20 0 GFADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000820541932 607110365 /nfs/dbraw/zinc/11/03/65/607110365.db2.gz JZKPCZBOVKNZBG-VIFPVBQESA-N -2 3 387.783 2.624 20 0 GFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822130800 607155608 /nfs/dbraw/zinc/15/56/08/607155608.db2.gz YROHOLGERCVQHG-UHFFFAOYSA-N -2 3 389.368 2.567 20 0 GFADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000826187037 608582448 /nfs/dbraw/zinc/58/24/48/608582448.db2.gz WRVRBGMHFHDPDH-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)cc(Cl)c1O)c1cccc(-c2nnn[n-]2)c1 ZINC000826492436 608618638 /nfs/dbraw/zinc/61/86/38/608618638.db2.gz KPYFQVOEQAMMOB-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)cc(Cl)c1O)c1cccc(-c2nn[n-]n2)c1 ZINC000826492436 608618640 /nfs/dbraw/zinc/61/86/40/608618640.db2.gz KPYFQVOEQAMMOB-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cccc(Cl)c1[O-] ZINC000826458855 609314631 /nfs/dbraw/zinc/31/46/31/609314631.db2.gz JOWZQLBYPHZEKE-UHFFFAOYSA-N -2 3 399.773 2.803 20 0 GFADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccc(Cl)c1[O-] ZINC000826458855 609314633 /nfs/dbraw/zinc/31/46/33/609314633.db2.gz JOWZQLBYPHZEKE-UHFFFAOYSA-N -2 3 399.773 2.803 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000826268380 609338405 /nfs/dbraw/zinc/33/84/05/609338405.db2.gz VAXWYJZLZLVGTN-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000826268380 609338407 /nfs/dbraw/zinc/33/84/07/609338407.db2.gz VAXWYJZLZLVGTN-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1ccccc1-c1nnn[n-]1 ZINC000826493091 609512599 /nfs/dbraw/zinc/51/25/99/609512599.db2.gz STUSHCSTCQABTO-UHFFFAOYSA-N -2 3 385.327 2.566 20 0 GFADHL O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1ccccc1-c1nn[n-]n1 ZINC000826493091 609512601 /nfs/dbraw/zinc/51/26/01/609512601.db2.gz STUSHCSTCQABTO-UHFFFAOYSA-N -2 3 385.327 2.566 20 0 GFADHL CCOC(=O)c1cc(NC(=O)c2cc(Cl)cc(Br)c2[O-])[n-]n1 ZINC000537545954 650816048 /nfs/dbraw/zinc/81/60/48/650816048.db2.gz HWPUEPPFAKITJN-UHFFFAOYSA-N -2 3 388.605 2.960 20 0 GFADHL CCOC(=O)c1cc(NC(=O)c2cc(Cl)cc(Br)c2[O-])n[n-]1 ZINC000537545954 650816050 /nfs/dbraw/zinc/81/60/50/650816050.db2.gz HWPUEPPFAKITJN-UHFFFAOYSA-N -2 3 388.605 2.960 20 0 GFADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)o1 ZINC000068131491 654955565 /nfs/dbraw/zinc/95/55/65/654955565.db2.gz VGOSYBINPBHVQL-UHFFFAOYSA-N -2 3 398.853 2.612 20 0 GFADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)(C(=O)[O-])C1(C)C ZINC000276655548 655282395 /nfs/dbraw/zinc/28/23/95/655282395.db2.gz YEWBNMKKRBBIKD-XPTSAGLGSA-N -2 3 381.903 2.647 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000312523146 655379763 /nfs/dbraw/zinc/37/97/63/655379763.db2.gz NGWHVLMTCXCOCF-SNVBAGLBSA-N -2 3 382.663 2.634 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC2CCCCC2)[C@H](O)C(=O)[O-])sc1Cl ZINC000574772734 655430463 /nfs/dbraw/zinc/43/04/63/655430463.db2.gz CULNKSYTXXFOEC-YPMHNXCESA-N -2 3 395.930 2.773 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c(F)cc1Br ZINC000575151174 655436380 /nfs/dbraw/zinc/43/63/80/655436380.db2.gz YDRGIBHPLBMZDR-SECBINFHSA-N -2 3 382.251 2.818 20 0 GFADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCCOc2cc(Cl)ccc21 ZINC000576155795 655444620 /nfs/dbraw/zinc/44/46/20/655444620.db2.gz GUGVVELYCOOFIF-JTQLQIEISA-N -2 3 388.854 2.687 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2[C@H](O)C(F)(F)F)c1 ZINC000758167441 655924988 /nfs/dbraw/zinc/92/49/88/655924988.db2.gz ZNZPDXIHWPWMCA-AWEZNQCLSA-N -2 3 377.340 2.797 20 0 GFADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)CCC2)n1 ZINC000761292063 656008468 /nfs/dbraw/zinc/00/84/68/656008468.db2.gz KPSFZNLDRYTYCT-UHFFFAOYSA-N -2 3 388.417 2.786 20 0 GFADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000764915921 656122972 /nfs/dbraw/zinc/12/29/72/656122972.db2.gz QUJSEQXYEXJCHE-NSHDSACASA-N -2 3 398.264 2.702 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)CC1CCCC1 ZINC000790615971 658002373 /nfs/dbraw/zinc/00/23/73/658002373.db2.gz JCMHIJHMEJFCDH-NSHDSACASA-N -2 3 380.388 2.660 20 0 GFADHL CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cs1 ZINC000871871891 662738719 /nfs/dbraw/zinc/73/87/19/662738719.db2.gz PNEBIPSVAROXIJ-ZETCQYMHSA-N -2 3 376.406 2.721 20 0 GFADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)c1nccs1 ZINC000871885032 662739397 /nfs/dbraw/zinc/73/93/97/662739397.db2.gz CYBGBIHJFAXAAE-AWEZNQCLSA-N -2 3 376.406 2.723 20 0 GFADHL O=C([O-])C1(CCCC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCC1 ZINC000899953472 663704227 /nfs/dbraw/zinc/70/42/27/663704227.db2.gz DSYCQVJYYYTIIN-UHFFFAOYSA-N -2 3 380.388 2.804 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)c(Cl)cc1F ZINC000906819541 663973514 /nfs/dbraw/zinc/97/35/14/663973514.db2.gz QKABQOBNKKVXDL-RXMQYKEDSA-N -2 3 376.620 2.649 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1nc(C(F)(F)F)cs1 ZINC000906955234 663986023 /nfs/dbraw/zinc/98/60/23/663986023.db2.gz CLGZHEGPMZXQJU-YFKPBYRVSA-N -2 3 386.398 2.961 20 0 GFADHL O=C([O-])CS[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000910351545 664207129 /nfs/dbraw/zinc/20/71/29/664207129.db2.gz OFYBMGGGOZROCJ-GFCCVEGCSA-N -2 3 383.363 2.719 20 0 GFADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000923153451 664623102 /nfs/dbraw/zinc/62/31/02/664623102.db2.gz RHNWHTCOWKNJNA-NXEZZACHSA-N -2 3 393.237 2.616 20 0 GFADHL Cc1c2ccc(F)cc2sc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000483188555 532673730 /nfs/dbraw/zinc/67/37/30/532673730.db2.gz AUTOZDAYTNTQJD-UHFFFAOYSA-N -2 3 386.455 2.824 20 0 GFADHL O=C(Nc1ncccc1[O-])c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000045652598 551147265 /nfs/dbraw/zinc/14/72/65/551147265.db2.gz OSWCMABGUAJVCZ-UHFFFAOYSA-N -2 3 375.431 2.902 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000164881332 551627541 /nfs/dbraw/zinc/62/75/41/551627541.db2.gz MQGDJQGKWWANNY-WCQYABFASA-N -2 3 380.235 2.510 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])sc1Br ZINC000164894555 551627768 /nfs/dbraw/zinc/62/77/68/551627768.db2.gz VGRAMYHDQMTXLK-QPUJVOFHSA-N -2 3 382.301 2.741 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1c(F)cccc1F ZINC000296881496 563306072 /nfs/dbraw/zinc/30/60/72/563306072.db2.gz HYMVEUXJBQFGPW-RNCFNFMXSA-N -2 3 383.363 2.835 20 0 GFADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000314431627 563439515 /nfs/dbraw/zinc/43/95/15/563439515.db2.gz GKQVLQLPJKOLLO-NSHDSACASA-N -2 3 394.287 2.770 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@@]1(C)CCCS1 ZINC000321193457 563447922 /nfs/dbraw/zinc/44/79/22/563447922.db2.gz STGQZTNMYCLVJN-CQSZACIVSA-N -2 3 379.887 2.611 20 0 GFADHL CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000326260313 563454565 /nfs/dbraw/zinc/45/45/65/563454565.db2.gz HPNBBBWIBUQGPM-VXGBXAGGSA-N -2 3 393.914 2.999 20 0 GFADHL CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000330588123 563512803 /nfs/dbraw/zinc/51/28/03/563512803.db2.gz MQGVJUNRIUIDHO-STQMWFEESA-N -2 3 392.518 2.690 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)sc1Br ZINC000399752676 563534595 /nfs/dbraw/zinc/53/45/95/563534595.db2.gz VBWXNYQOBKUNKV-WPRPVWTQSA-N -2 3 384.317 2.843 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])sc1Br ZINC000405733779 563539578 /nfs/dbraw/zinc/53/95/78/563539578.db2.gz XOIBQPZDFBUVSF-VIFPVBQESA-N -2 3 382.301 2.598 20 0 GFADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(Br)cc1O ZINC000436579387 563674753 /nfs/dbraw/zinc/67/47/53/563674753.db2.gz UPKYRHHCLZWSLJ-ARJAWSKDSA-N -2 3 395.209 2.765 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)ccc1[O-] ZINC000436709198 563677192 /nfs/dbraw/zinc/67/71/92/563677192.db2.gz MNNZRYKHFUVIDG-UHFFFAOYSA-N -2 3 392.216 2.992 20 0 GFADHL CC[C@@H](C)C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000563199779 564179323 /nfs/dbraw/zinc/17/93/23/564179323.db2.gz GQBHELHMARLCJV-OTYXRUKQSA-N -2 3 395.253 2.910 20 0 GFADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2C(C)C)ccc1F ZINC000507569852 564232909 /nfs/dbraw/zinc/23/29/09/564232909.db2.gz SFXYUSVHGINBSA-UHFFFAOYSA-N -2 3 386.470 2.658 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC000564924272 564257369 /nfs/dbraw/zinc/25/73/69/564257369.db2.gz YXMNICNGYFDQQT-GFCCVEGCSA-N -2 3 381.475 2.853 20 0 GFADHL C[C@H](CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1)C(=O)[O-] ZINC000540924271 564260451 /nfs/dbraw/zinc/26/04/51/564260451.db2.gz UWWZVLJUTDAFPY-SECBINFHSA-N -2 3 393.237 2.616 20 0 GFADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000541932591 564295366 /nfs/dbraw/zinc/29/53/66/564295366.db2.gz XLGQOWPNRNYMQO-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)CCOCC1CC1 ZINC000565886671 564300668 /nfs/dbraw/zinc/30/06/68/564300668.db2.gz ODGYJAKZRUFUEN-UHFFFAOYSA-N -2 3 392.271 2.624 20 0 GFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)Cc1cccs1 ZINC000566175723 564314221 /nfs/dbraw/zinc/31/42/21/564314221.db2.gz BFSHZBIUYIDXHJ-SNVBAGLBSA-N -2 3 387.454 2.751 20 0 GFADHL CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000566175347 564314413 /nfs/dbraw/zinc/31/44/13/564314413.db2.gz ZSZBIVQVJIVEMX-STQMWFEESA-N -2 3 391.486 2.875 20 0 GFADHL CC1(C)CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)(C(=O)[O-])CC1 ZINC000543784076 564364132 /nfs/dbraw/zinc/36/41/32/564364132.db2.gz BPVQTOKCXMCGDO-UHFFFAOYSA-N -2 3 380.388 2.802 20 0 GFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000567442434 564371745 /nfs/dbraw/zinc/37/17/45/564371745.db2.gz IQWBLDLYSWHSHB-VIFPVBQESA-N -2 3 384.679 2.880 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000567803212 564390097 /nfs/dbraw/zinc/39/00/97/564390097.db2.gz SJKAXASSISLRIG-QMMMGPOBSA-N -2 3 375.349 2.927 20 0 GFADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)C2CC2)s1 ZINC000545549338 564427436 /nfs/dbraw/zinc/42/74/36/564427436.db2.gz DOTNLSAUEQNFJW-AWEZNQCLSA-N -2 3 382.463 2.593 20 0 GFADHL Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])c1 ZINC000547549193 564493585 /nfs/dbraw/zinc/49/35/85/564493585.db2.gz UJVBNDARLYMLDI-AWEZNQCLSA-N -2 3 384.797 2.661 20 0 GFADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000547563812 564494863 /nfs/dbraw/zinc/49/48/63/564494863.db2.gz VLIUORUXMAPQAG-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000547939405 564524543 /nfs/dbraw/zinc/52/45/43/564524543.db2.gz FCUQCALBLFOYSA-CQSZACIVSA-N -2 3 389.807 2.901 20 0 GFADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000548218034 564538149 /nfs/dbraw/zinc/53/81/49/564538149.db2.gz ZCNHBBPWHAZOGC-SNVBAGLBSA-N -2 3 385.463 2.610 20 0 GFADHL CSc1nc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)n[n-]1 ZINC000571269662 564544055 /nfs/dbraw/zinc/54/40/55/564544055.db2.gz NRLWRCAAGNJIPD-UHFFFAOYSA-N -2 3 397.707 2.884 20 0 GFADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)(C(=O)[O-])C1(C)C ZINC000548357566 564550368 /nfs/dbraw/zinc/55/03/68/564550368.db2.gz VVHAMIZNCUZKSQ-SWLSCSKDSA-N -2 3 396.292 2.930 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)sc1C(=O)[O-] ZINC000548528634 564555752 /nfs/dbraw/zinc/55/57/52/564555752.db2.gz AJPXVMIQMAMXID-UHFFFAOYSA-N -2 3 394.396 2.788 20 0 GFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000548531792 564556489 /nfs/dbraw/zinc/55/64/89/564556489.db2.gz VPDXUCKNUCEVNE-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000548535617 564557249 /nfs/dbraw/zinc/55/72/49/564557249.db2.gz PTDFXHSKLCZIPV-NSHDSACASA-N -2 3 388.239 2.927 20 0 GFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548619105 564567166 /nfs/dbraw/zinc/56/71/66/564567166.db2.gz PSIGZBIEOBANEN-QMMMGPOBSA-N -2 3 382.251 2.756 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)s1 ZINC000484586414 564591715 /nfs/dbraw/zinc/59/17/15/564591715.db2.gz RPDZDGMGBIOHNH-UHFFFAOYSA-N -2 3 390.280 2.996 20 0 GFADHL CC(C)[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccc(F)cc1F ZINC000519827600 564592089 /nfs/dbraw/zinc/59/20/89/564592089.db2.gz QSDVDRURTBRXNN-NSHDSACASA-N -2 3 376.406 2.795 20 0 GFADHL COc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)c(Br)c1[O-] ZINC000521645210 564633071 /nfs/dbraw/zinc/63/30/71/564633071.db2.gz CRMNWZVGQUGIDY-LBPRGKRZSA-N -2 3 381.226 2.864 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000551996119 564671655 /nfs/dbraw/zinc/67/16/55/564671655.db2.gz NXYGENYLJMUFBL-ZCFIWIBFSA-N -2 3 380.171 2.925 20 0 GFADHL Cn1cnc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC000574960164 564690084 /nfs/dbraw/zinc/69/00/84/564690084.db2.gz JOLDTDHNYHWJCN-LBPRGKRZSA-N -2 3 392.264 2.611 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCCCC1 ZINC000577218878 564730286 /nfs/dbraw/zinc/73/02/86/564730286.db2.gz NQLYLMUZXQBKMB-NSHDSACASA-N -2 3 380.388 2.802 20 0 GFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)s1 ZINC000580308600 564755281 /nfs/dbraw/zinc/75/52/81/564755281.db2.gz NXOGCEMBMJSXLG-SECBINFHSA-N -2 3 387.454 2.812 20 0 GFADHL C[C@H]([C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-])C1CC1 ZINC000554430819 564760379 /nfs/dbraw/zinc/76/03/79/564760379.db2.gz SKPBAQLCGCRIIP-CPCISQLKSA-N -2 3 385.335 2.502 20 0 GFADHL O=C([O-])[C@@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000555410645 564792604 /nfs/dbraw/zinc/79/26/04/564792604.db2.gz LSPGOPHXDKJEPA-HOTGVXAUSA-N -2 3 389.901 2.544 20 0 GFADHL Cc1csc(S(=O)(=O)[N-]C2CCN(c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000582531043 564850355 /nfs/dbraw/zinc/85/03/55/564850355.db2.gz JZRAFSAGYAFIER-UHFFFAOYSA-N -2 3 380.491 2.702 20 0 GFADHL CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2c(C(=O)[O-])sc3ccsc32)c1 ZINC000583379142 564889476 /nfs/dbraw/zinc/88/94/76/564889476.db2.gz IQEFFCBIHTXJGB-UHFFFAOYSA-N -2 3 399.519 2.992 20 0 GFADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1F ZINC000583958029 564913940 /nfs/dbraw/zinc/91/39/40/564913940.db2.gz XMXJLRBCTTZTKZ-UHFFFAOYSA-N -2 3 375.324 2.969 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F)CC(=O)[O-] ZINC000584040580 564918004 /nfs/dbraw/zinc/91/80/04/564918004.db2.gz SAUAOXIFZDKMDJ-SECBINFHSA-N -2 3 382.251 2.676 20 0 GFADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)n1 ZINC000584234899 564926896 /nfs/dbraw/zinc/92/68/96/564926896.db2.gz AFSDPVBPGVVVIC-SECBINFHSA-N -2 3 390.870 2.608 20 0 GFADHL O=C([O-])C[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000532867523 564948138 /nfs/dbraw/zinc/94/81/38/564948138.db2.gz SBKHDECRIJBPRC-SNVBAGLBSA-N -2 3 393.237 2.618 20 0 GFADHL O=C([O-])[C@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000560079807 564948588 /nfs/dbraw/zinc/94/85/88/564948588.db2.gz FVYLKUJCPIYQNQ-ZDUSSCGKSA-N -2 3 389.807 2.983 20 0 GFADHL O=C([O-])[C@@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000560079806 564948832 /nfs/dbraw/zinc/94/88/32/564948832.db2.gz FVYLKUJCPIYQNQ-CYBMUJFWSA-N -2 3 389.807 2.983 20 0 GFADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccc2c(c1)C(=O)[N-]C2=O ZINC000534941218 564999974 /nfs/dbraw/zinc/99/99/74/564999974.db2.gz QBFAHWVALRXFMW-UHFFFAOYSA-N -2 3 395.596 2.944 20 0 GFADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)(C(=O)[O-])C1(C)C ZINC000562388160 565027575 /nfs/dbraw/zinc/02/75/75/565027575.db2.gz YXZYKIWHLLUDPF-IUODEOHRSA-N -2 3 396.292 2.930 20 0 GFADHL COc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(Cl)cc1C(=O)[O-] ZINC000536611616 565042568 /nfs/dbraw/zinc/04/25/68/565042568.db2.gz SQDZBEXCBBPNAE-UHFFFAOYSA-N -3 3 375.761 2.692 20 0 GFADHL COc1cc(Br)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1O ZINC000504710833 565043470 /nfs/dbraw/zinc/04/34/70/565043470.db2.gz FANURMJJFBXEIQ-ARJAWSKDSA-N -2 3 395.209 2.765 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c(F)c1 ZINC000563059510 565053963 /nfs/dbraw/zinc/05/39/63/565053963.db2.gz PMHRTYJFUMPAGI-RYUDHWBXSA-N -2 3 396.481 2.536 20 0 GFADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000657144118 565077593 /nfs/dbraw/zinc/07/75/93/565077593.db2.gz AHWHRJBPJRIPQM-KOLCDFICSA-N -2 3 380.388 2.658 20 0 GFADHL CC(C)CCc1nnc([N-]C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)s1 ZINC000617097210 565220561 /nfs/dbraw/zinc/22/05/61/565220561.db2.gz LGJZXVLHBCXIIV-UHFFFAOYSA-N -2 3 386.474 2.890 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1F ZINC000591683839 565236745 /nfs/dbraw/zinc/23/67/45/565236745.db2.gz ZDZCVVFEZCSJSD-UHFFFAOYSA-N -2 3 379.287 2.507 20 0 GFADHL COc1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc(C(=O)[O-])c1OC ZINC000647919540 565683433 /nfs/dbraw/zinc/68/34/33/565683433.db2.gz CPFFOYAYSMOCCB-UHFFFAOYSA-N -2 3 387.797 2.562 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])s1 ZINC000650431017 565821048 /nfs/dbraw/zinc/82/10/48/565821048.db2.gz DQTGOSIHVPNUDH-VIFPVBQESA-N -2 3 382.301 2.598 20 0 GFADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000650412795 565817966 /nfs/dbraw/zinc/81/79/66/565817966.db2.gz FIMJZJIGUOZZNK-APPZFPTMSA-N -2 3 385.747 2.546 20 0 GFADHL COC1(C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)[O-])CCC1 ZINC000650432046 565821024 /nfs/dbraw/zinc/82/10/24/565821024.db2.gz LNVQNJMUMKUZBN-LLVKDONJSA-N -2 3 382.265 2.684 20 0 GFADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000650447849 565822624 /nfs/dbraw/zinc/82/26/24/565822624.db2.gz YBAUVZPFGMUSLD-UHFFFAOYSA-N -2 3 392.380 2.828 20 0 GFADHL CCO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1)C1CC1 ZINC000629288621 565836045 /nfs/dbraw/zinc/83/60/45/565836045.db2.gz DFZULMJOHJJLJC-CYBMUJFWSA-N -2 3 392.271 2.704 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000629294752 565837126 /nfs/dbraw/zinc/83/71/26/565837126.db2.gz BGLBQNAWXASZBP-UONOGXRCSA-N -2 3 387.454 2.710 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000629297866 565838554 /nfs/dbraw/zinc/83/85/54/565838554.db2.gz WQAXCCYICWPUNY-SECBINFHSA-N -2 3 382.251 2.818 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653493913 565969580 /nfs/dbraw/zinc/96/95/80/565969580.db2.gz KIUAIBOYNQSXKU-ZMLRMANQSA-N -2 3 375.874 2.762 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000681577378 566114808 /nfs/dbraw/zinc/11/48/08/566114808.db2.gz SLSRYTWWGCUERJ-ZDUSSCGKSA-N -2 3 383.853 2.570 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC000656563603 566142397 /nfs/dbraw/zinc/14/23/97/566142397.db2.gz URJPDPPDFITKDY-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000656717186 566156988 /nfs/dbraw/zinc/15/69/88/566156988.db2.gz LNOMFUFUGYFYQI-LBPRGKRZSA-N -2 3 391.873 2.530 20 0 GFADHL CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735844115 598842961 /nfs/dbraw/zinc/84/29/61/598842961.db2.gz HWGJUDDWOPNYKG-UHFFFAOYSA-N -2 3 391.428 2.841 20 0 GFADHL CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735844115 598842962 /nfs/dbraw/zinc/84/29/62/598842962.db2.gz HWGJUDDWOPNYKG-UHFFFAOYSA-N -2 3 391.428 2.841 20 0 GFADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736700017 598845130 /nfs/dbraw/zinc/84/51/30/598845130.db2.gz RVBCFFNWDUNIAM-UHFFFAOYSA-N -2 3 375.429 2.931 20 0 GFADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736700017 598845132 /nfs/dbraw/zinc/84/51/32/598845132.db2.gz RVBCFFNWDUNIAM-UHFFFAOYSA-N -2 3 375.429 2.931 20 0 GFADHL CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736422237 598855683 /nfs/dbraw/zinc/85/56/83/598855683.db2.gz JWORZSYGHMBIFA-HNNXBMFYSA-N -2 3 391.497 2.668 20 0 GFADHL CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736422237 598855686 /nfs/dbraw/zinc/85/56/86/598855686.db2.gz JWORZSYGHMBIFA-HNNXBMFYSA-N -2 3 391.497 2.668 20 0 GFADHL CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000735656578 598909165 /nfs/dbraw/zinc/90/91/65/598909165.db2.gz JFYQDOLCZXXTBM-UHFFFAOYSA-N -2 3 382.446 2.561 20 0 GFADHL CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000735656578 598909167 /nfs/dbraw/zinc/90/91/67/598909167.db2.gz JFYQDOLCZXXTBM-UHFFFAOYSA-N -2 3 382.446 2.561 20 0 GFADHL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735986007 598924341 /nfs/dbraw/zinc/92/43/41/598924341.db2.gz PCDGNMRJUGIOGM-JTQLQIEISA-N -2 3 397.888 2.541 20 0 GFADHL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735986007 598924342 /nfs/dbraw/zinc/92/43/42/598924342.db2.gz PCDGNMRJUGIOGM-JTQLQIEISA-N -2 3 397.888 2.541 20 0 GFADHL CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736352700 598924365 /nfs/dbraw/zinc/92/43/65/598924365.db2.gz XYVODHYIYMWVHX-AWEZNQCLSA-N -2 3 391.497 2.668 20 0 GFADHL CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736352700 598924367 /nfs/dbraw/zinc/92/43/67/598924367.db2.gz XYVODHYIYMWVHX-AWEZNQCLSA-N -2 3 391.497 2.668 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000822224045 599234155 /nfs/dbraw/zinc/23/41/55/599234155.db2.gz UDKWTRNWFXNSMN-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c2cccnc2c1C ZINC000822209683 599234410 /nfs/dbraw/zinc/23/44/10/599234410.db2.gz RSKMCHAFGOWLIP-UHFFFAOYSA-N -2 3 398.423 2.972 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c2cccnc2c1C ZINC000822209683 599234412 /nfs/dbraw/zinc/23/44/12/599234412.db2.gz RSKMCHAFGOWLIP-UHFFFAOYSA-N -2 3 398.423 2.972 20 0 GFADHL C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000736229046 598481424 /nfs/dbraw/zinc/48/14/24/598481424.db2.gz PVLRQLOQGBDLQT-CHWSQXEVSA-N -2 3 391.497 2.524 20 0 GFADHL C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000736229046 598481425 /nfs/dbraw/zinc/48/14/25/598481425.db2.gz PVLRQLOQGBDLQT-CHWSQXEVSA-N -2 3 391.497 2.524 20 0 GFADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737773165 598513486 /nfs/dbraw/zinc/51/34/86/598513486.db2.gz JDIPHUBDQHUFRP-UHFFFAOYSA-N -2 3 385.236 2.557 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737096496 598766343 /nfs/dbraw/zinc/76/63/43/598766343.db2.gz CAMVWTHJXSRXEG-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL Cc1ccsc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822384907 607377017 /nfs/dbraw/zinc/37/70/17/607377017.db2.gz UOCGQDVEMVBBEA-UHFFFAOYSA-N -2 3 379.467 2.825 20 0 GFADHL Cc1ccsc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822384907 607377019 /nfs/dbraw/zinc/37/70/19/607377019.db2.gz UOCGQDVEMVBBEA-UHFFFAOYSA-N -2 3 379.467 2.825 20 0 GFADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738995516 599770374 /nfs/dbraw/zinc/77/03/74/599770374.db2.gz CZWQVUASSQZJAP-UHFFFAOYSA-N -2 3 380.404 2.821 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccc(F)cc3)nc2)o1 ZINC000740176455 599772526 /nfs/dbraw/zinc/77/25/26/599772526.db2.gz DUZQQEZNUOVHAH-UHFFFAOYSA-N -2 3 392.364 2.783 20 0 GFADHL CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)(C)C(=O)[O-] ZINC000485374622 599848226 /nfs/dbraw/zinc/84/82/26/599848226.db2.gz HOLVRKOURGOWRA-UHFFFAOYSA-N -2 3 394.424 2.562 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000737822577 599853279 /nfs/dbraw/zinc/85/32/79/599853279.db2.gz WCJROQLEBRHYFM-UHFFFAOYSA-N -2 3 393.461 2.838 20 0 GFADHL O=C([O-])[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc2O1 ZINC000739616667 600048153 /nfs/dbraw/zinc/04/81/53/600048153.db2.gz RPXBALAHBODNSG-OAHLLOKOSA-N -2 3 377.356 2.934 20 0 GFADHL CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccco1 ZINC000584588722 600229488 /nfs/dbraw/zinc/22/94/88/600229488.db2.gz YPLQLYZWGGSNBD-MRXNPFEDSA-N -2 3 381.450 2.811 20 0 GFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000740242886 600245344 /nfs/dbraw/zinc/24/53/44/600245344.db2.gz WAQXWWNVSHJZAF-DLBZAZTESA-N -2 3 391.445 2.868 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)cc2)cc(=O)[n-]1 ZINC000738828985 600317603 /nfs/dbraw/zinc/31/76/03/600317603.db2.gz HTDQRHBYPPYLIW-OAHLLOKOSA-N -2 3 382.420 2.876 20 0 GFADHL O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000740024898 600447492 /nfs/dbraw/zinc/44/74/92/600447492.db2.gz NJGGGYAXXPSMNT-UHFFFAOYSA-N -2 3 390.248 2.999 20 0 GFADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000739687556 600489796 /nfs/dbraw/zinc/48/97/96/600489796.db2.gz OVEIZONNLPYDFG-UHFFFAOYSA-N -2 3 393.417 2.502 20 0 GFADHL C[C@H](CN(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C(=O)[O-] ZINC000736576944 600507156 /nfs/dbraw/zinc/50/71/56/600507156.db2.gz RRYYQJUZLLDNTL-SNVBAGLBSA-N -2 3 375.425 2.943 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1C(=O)[O-] ZINC000730203837 600545201 /nfs/dbraw/zinc/54/52/01/600545201.db2.gz DSYRJVZJUXQWPW-UHFFFAOYSA-N -2 3 391.380 2.519 20 0 GFADHL O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000833215303 600762709 /nfs/dbraw/zinc/76/27/09/600762709.db2.gz FBEXHUAAGJTZOW-RDTXWAMCSA-N -2 3 394.427 2.602 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2csc(Br)c2)cc1C(=O)[O-] ZINC000833027100 601217114 /nfs/dbraw/zinc/21/71/14/601217114.db2.gz OYWMRYXADMGJQX-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC(C)(C)O)cc1 ZINC000268603195 601224197 /nfs/dbraw/zinc/22/41/97/601224197.db2.gz KEPAVFIZMCOOGX-UHFFFAOYSA-N -2 3 379.434 2.644 20 0 GFADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000826717943 601235779 /nfs/dbraw/zinc/23/57/79/601235779.db2.gz XSKGNZHZEHWFLB-AVFOEOQDSA-N -2 3 391.449 2.720 20 0 GFADHL Cc1nc(C)c(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000832994861 601621848 /nfs/dbraw/zinc/62/18/48/601621848.db2.gz QKOHTOJVHZQXSL-HNNXBMFYSA-N -2 3 377.828 2.717 20 0 GFADHL CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C)C(=O)[O-] ZINC000584327577 601749444 /nfs/dbraw/zinc/74/94/44/601749444.db2.gz JKYRXABMOLJCSB-OAHLLOKOSA-N -2 3 394.424 2.528 20 0 GFADHL CCc1cc(=O)[n-]c(CS[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)n1 ZINC000830224954 601957325 /nfs/dbraw/zinc/95/73/25/601957325.db2.gz YKTZJWLGKPDBKI-NSHDSACASA-N -2 3 379.463 2.543 20 0 GFADHL C[C@H]1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C[C@H](C)C1 ZINC000096833550 602157500 /nfs/dbraw/zinc/15/75/00/602157500.db2.gz KYWBUGFLGWIYLD-HTQZYQBOSA-N -2 3 380.260 2.843 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccncc1 ZINC000185020489 602157770 /nfs/dbraw/zinc/15/77/70/602157770.db2.gz PEIOGWMMYHRKNT-VIFPVBQESA-N -2 3 389.227 2.565 20 0 GFADHL CC(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000826806675 602172465 /nfs/dbraw/zinc/17/24/65/602172465.db2.gz HTVHTCAQPFHRNK-HNNXBMFYSA-N -2 3 385.482 2.561 20 0 GFADHL Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000832983001 602213953 /nfs/dbraw/zinc/21/39/53/602213953.db2.gz BIYFYOMYOSUZMP-UHFFFAOYSA-N -2 3 389.202 2.791 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000739838593 602243596 /nfs/dbraw/zinc/24/35/96/602243596.db2.gz MHZHHPPTRHKFIJ-UHFFFAOYSA-N -2 3 392.433 2.553 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN(C(=O)[O-])C3)c(C)c1 ZINC000739932887 603182959 /nfs/dbraw/zinc/18/29/59/603182959.db2.gz NJAWOODDSIEENC-UHFFFAOYSA-N -2 3 376.434 2.841 20 0 GFADHL Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740232366 603207328 /nfs/dbraw/zinc/20/73/28/603207328.db2.gz FPHROVDXGSQMKL-UHFFFAOYSA-N -2 3 378.797 2.894 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1C ZINC000828788671 603241736 /nfs/dbraw/zinc/24/17/36/603241736.db2.gz JXVICVONTRVNGI-UHFFFAOYSA-N -2 3 382.369 2.811 20 0 GFADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3csc(CNC(=O)[O-])n3)c2)n1 ZINC000829894810 603473620 /nfs/dbraw/zinc/47/36/20/603473620.db2.gz YCSHTEMZTPJSQU-UHFFFAOYSA-N -2 3 386.389 2.601 20 0 GFADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000829339304 604487261 /nfs/dbraw/zinc/48/72/61/604487261.db2.gz GEXGZLVJTUNQLG-LLVKDONJSA-N -2 3 382.251 2.900 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C1CCCCC1 ZINC000833169745 604488189 /nfs/dbraw/zinc/48/81/89/604488189.db2.gz ZYFSWULQPIXCKO-ZDUSSCGKSA-N -2 3 394.262 2.900 20 0 GFADHL Cc1ccc(C(=O)N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000832911725 604708804 /nfs/dbraw/zinc/70/88/04/604708804.db2.gz ZCWAGCYUDNEURM-SFHVURJKSA-N -2 3 388.851 2.938 20 0 GFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1C(=O)[O-] ZINC000833749148 604944057 /nfs/dbraw/zinc/94/40/57/604944057.db2.gz ACRGJUPDEFHXRA-UITAMQMPSA-N -3 3 379.365 2.731 20 0 GFADHL Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])co2)cc1 ZINC000833747065 605042925 /nfs/dbraw/zinc/04/29/25/605042925.db2.gz YRFHOZCOXRGHCK-UHFFFAOYSA-N -2 3 390.392 2.966 20 0 GFADHL CN1CCCc2cc([N-]S(=O)(=O)c3ccc(C4(C(=O)[O-])CC4)cc3)ccc21 ZINC000833697199 605135503 /nfs/dbraw/zinc/13/55/03/605135503.db2.gz CMSQGQZJFGZSBJ-UHFFFAOYSA-N -2 3 386.473 2.986 20 0 GFADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(F)cc1F ZINC000749140648 605164081 /nfs/dbraw/zinc/16/40/81/605164081.db2.gz AAAOAYBSEGSYRF-UHFFFAOYSA-N -2 3 388.323 2.561 20 0 GFADHL CC(C)[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)N1CCC(C(=O)[O-])CC1 ZINC000833471768 605275832 /nfs/dbraw/zinc/27/58/32/605275832.db2.gz IRAUAOSAMNPCTO-OAHLLOKOSA-N -2 3 383.828 2.550 20 0 GFADHL Cc1nc(C)c(CCC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c(=O)[n-]1 ZINC000833754960 605302940 /nfs/dbraw/zinc/30/29/40/605302940.db2.gz RRMWJHQQBREMMJ-IBGZPJMESA-N -2 3 379.416 2.827 20 0 GFADHL CS(=O)(=O)[N-]c1cc(C(=O)OCc2cccc(NC(=O)[O-])c2)ccc1F ZINC000829691363 605545430 /nfs/dbraw/zinc/54/54/30/605545430.db2.gz DRANHOYKQHVLAQ-UHFFFAOYSA-N -2 3 382.369 2.644 20 0 GFADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000821589174 606820383 /nfs/dbraw/zinc/82/03/83/606820383.db2.gz AEOYRFJWZYLZHI-UHFFFAOYSA-N -2 3 398.492 2.612 20 0 GFADHL O=S(=O)([N-]c1cncc2ccccc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826493068 607983135 /nfs/dbraw/zinc/98/31/35/607983135.db2.gz RGQTWUXQUUAPMP-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=C(c1cccc(Cl)c1[O-])N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826473598 608581767 /nfs/dbraw/zinc/58/17/67/608581767.db2.gz FYKVJKFZBNLZIA-UHFFFAOYSA-N -2 3 398.854 2.578 20 0 GFADHL O=C(c1cccc(Cl)c1[O-])N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826473598 608581769 /nfs/dbraw/zinc/58/17/69/608581769.db2.gz FYKVJKFZBNLZIA-UHFFFAOYSA-N -2 3 398.854 2.578 20 0 GFADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ccc([O-])c(Cl)c1 ZINC000826458467 609313917 /nfs/dbraw/zinc/31/39/17/609313917.db2.gz QZMVSPROMITGEM-UHFFFAOYSA-N -2 3 399.773 2.803 20 0 GFADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc([O-])c(Cl)c1 ZINC000826458467 609313920 /nfs/dbraw/zinc/31/39/20/609313920.db2.gz QZMVSPROMITGEM-UHFFFAOYSA-N -2 3 399.773 2.803 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000826492700 609339128 /nfs/dbraw/zinc/33/91/28/609339128.db2.gz YXLDJNFEMYTSNO-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826317099 609470210 /nfs/dbraw/zinc/47/02/10/609470210.db2.gz MSAJIKFJOSPYIA-UHFFFAOYSA-N -2 3 387.469 2.678 20 0 GFADHL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826317099 609470213 /nfs/dbraw/zinc/47/02/13/609470213.db2.gz MSAJIKFJOSPYIA-UHFFFAOYSA-N -2 3 387.469 2.678 20 0 GFADHL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(Br)ccc1[O-] ZINC000821186241 660318231 /nfs/dbraw/zinc/31/82/31/660318231.db2.gz VABKWZGNRQUUKI-LBPRGKRZSA-N -2 3 380.260 2.628 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(CCCl)cc1 ZINC000048401810 654706224 /nfs/dbraw/zinc/70/62/24/654706224.db2.gz XAUYZAKSGOQIFK-UHFFFAOYSA-N -2 3 388.898 2.640 20 0 GFADHL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1ccccc1OC(F)F ZINC000105386636 655091488 /nfs/dbraw/zinc/09/14/88/655091488.db2.gz VRGSJTWFYDKYEJ-UHFFFAOYSA-N -2 3 387.261 2.545 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000312523143 655379726 /nfs/dbraw/zinc/37/97/26/655379726.db2.gz NGWHVLMTCXCOCF-JTQLQIEISA-N -2 3 382.663 2.634 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)sc1Cl ZINC000190180625 655390313 /nfs/dbraw/zinc/39/03/13/655390313.db2.gz ICJUSTDNKOTVAM-UHFFFAOYSA-N -2 3 381.866 2.881 20 0 GFADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000580193200 655509767 /nfs/dbraw/zinc/50/97/67/655509767.db2.gz NISXKHLRXOTKSB-LLVKDONJSA-N -2 3 382.251 2.756 20 0 GFADHL CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000840894259 661201136 /nfs/dbraw/zinc/20/11/36/661201136.db2.gz PIFNCRAGDARFPS-YUMQZZPRSA-N -2 3 382.301 2.779 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2SC(=O)N(C)C)c1 ZINC000775671985 656662871 /nfs/dbraw/zinc/66/28/71/656662871.db2.gz MVJBSDWASKBMPS-UHFFFAOYSA-N -2 3 382.463 2.975 20 0 GFADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776612105 656766361 /nfs/dbraw/zinc/76/63/61/656766361.db2.gz DLHONSGZSPDRIO-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776626139 656770313 /nfs/dbraw/zinc/77/03/13/656770313.db2.gz KNDMNDQZKZRDCX-JTQLQIEISA-N -2 3 393.223 2.502 20 0 GFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000806634702 659838277 /nfs/dbraw/zinc/83/82/77/659838277.db2.gz KMYALHFLVFXNDU-SCZZXKLOSA-N -2 3 387.351 2.892 20 0 GFADHL C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000809150801 659918440 /nfs/dbraw/zinc/91/84/40/659918440.db2.gz MEROJXFGKXJVLK-GLEZIHRCSA-N -2 3 385.800 2.978 20 0 GFADHL O=C([O-])[C@H](CCSc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000811673041 660014064 /nfs/dbraw/zinc/01/40/64/660014064.db2.gz BLXVZISYROPZRR-LBPRGKRZSA-N -2 3 386.882 2.649 20 0 GFADHL O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[N-]OC/C=C\Cl ZINC000812397596 660026270 /nfs/dbraw/zinc/02/62/70/660026270.db2.gz HPMBTEUHXWRTSM-WAPJZHGLSA-N -2 3 386.882 2.892 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000844896989 661447073 /nfs/dbraw/zinc/44/70/73/661447073.db2.gz KOROAYMTNBURNT-MVWJERBFSA-N -2 3 394.276 2.928 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1)C(F)(F)F ZINC000871962932 662747050 /nfs/dbraw/zinc/74/70/50/662747050.db2.gz JCMBDASKOWTJLJ-QMMMGPOBSA-N -2 3 389.779 2.813 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)CCO2 ZINC000906001096 663907010 /nfs/dbraw/zinc/90/70/10/663907010.db2.gz BAEFMSYGWRMXMX-VOZQYIJBSA-N -2 3 394.276 2.684 20 0 GFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cccc(I)c1 ZINC000131534783 551374947 /nfs/dbraw/zinc/37/49/47/551374947.db2.gz IREHVODOWBVHGV-UHFFFAOYSA-N -2 3 393.177 2.937 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1F ZINC000135339989 551387283 /nfs/dbraw/zinc/38/72/83/551387283.db2.gz CRRZIJNBAGDFCB-UHFFFAOYSA-N -2 3 394.396 2.936 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1F ZINC000135336956 551387363 /nfs/dbraw/zinc/38/73/63/551387363.db2.gz FZLITXBWDPEQIC-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000172897203 551689905 /nfs/dbraw/zinc/68/99/05/551689905.db2.gz WWHSCEUGROXQDS-UHFFFAOYSA-N -2 3 380.900 2.882 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000237964029 553084517 /nfs/dbraw/zinc/08/45/17/553084517.db2.gz ABUIUEDCGFOCRE-ZDUSSCGKSA-N -2 3 384.479 2.545 20 0 GFADHL CC[C@@H](CS(=O)(=O)[N-]c1ccc(Cc2nc(C(=O)[O-])cs2)cc1)OC ZINC000421145228 563297694 /nfs/dbraw/zinc/29/76/94/563297694.db2.gz COCBSLREKMYUJI-ZDUSSCGKSA-N -2 3 384.479 2.599 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br)CC(=O)[O-] ZINC000281946482 563391107 /nfs/dbraw/zinc/39/11/07/563391107.db2.gz JIXQVMDKBTYUDF-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000401582777 563535005 /nfs/dbraw/zinc/53/50/05/563535005.db2.gz XVXRPJOXRXQRPS-SNVBAGLBSA-N -2 3 382.251 2.756 20 0 GFADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Cl ZINC000433803743 563619961 /nfs/dbraw/zinc/61/99/61/563619961.db2.gz NPFAVRNGPUKOJT-UHFFFAOYSA-N -3 3 384.797 2.503 20 0 GFADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000436014546 563662054 /nfs/dbraw/zinc/66/20/54/563662054.db2.gz FJIGYIBVPJQOLS-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000436014546 563662055 /nfs/dbraw/zinc/66/20/55/563662055.db2.gz FJIGYIBVPJQOLS-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL NC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436480384 563671768 /nfs/dbraw/zinc/67/17/68/563671768.db2.gz VUVFHQMVNFYCPI-UHFFFAOYSA-N -2 3 375.328 2.702 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c(Cl)c1 ZINC000362671324 563707759 /nfs/dbraw/zinc/70/77/59/563707759.db2.gz VZTJIOLWNSMUCD-UHFFFAOYSA-N -2 3 378.797 2.624 20 0 GFADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000414373531 563730755 /nfs/dbraw/zinc/73/07/55/563730755.db2.gz MOVWDUQRXJEBBO-UHFFFAOYSA-N -2 3 396.248 2.919 20 0 GFADHL Cc1nc(S(=O)(=O)[N-]Cc2ccc([O-])c(Br)c2)sc1C ZINC000443496034 563806716 /nfs/dbraw/zinc/80/67/16/563806716.db2.gz YXPLIJGRLVVPPX-UHFFFAOYSA-N -2 3 377.285 2.707 20 0 GFADHL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])n[nH]2)s1 ZINC000444429870 563831979 /nfs/dbraw/zinc/83/19/79/563831979.db2.gz MOPPGTKSIOKEIK-UHFFFAOYSA-N -3 3 379.419 2.651 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Br)cc(OC)c2)c1 ZINC000539398264 564218263 /nfs/dbraw/zinc/21/82/63/564218263.db2.gz SFKJYSCDTCILGD-UHFFFAOYSA-N -2 3 388.239 2.973 20 0 GFADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)CC1CC1 ZINC000564091165 564220424 /nfs/dbraw/zinc/22/04/24/564220424.db2.gz GCSCSGVDDYPHFV-SNVBAGLBSA-N -2 3 393.237 2.521 20 0 GFADHL CC(=O)c1sc2[n-]c(CSc3nc(C)c(C)c(=O)[n-]3)nc(=O)c2c1C ZINC000539617205 564224474 /nfs/dbraw/zinc/22/44/74/564224474.db2.gz PLIBGKFYWYDQGM-UHFFFAOYSA-N -2 3 376.463 2.900 20 0 GFADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000566873828 564346513 /nfs/dbraw/zinc/34/65/13/564346513.db2.gz VOEZMRNDJBBWDX-VIFPVBQESA-N -2 3 387.255 2.529 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000511070058 564355838 /nfs/dbraw/zinc/35/58/38/564355838.db2.gz SHGICLXJFQEDQP-ZFWWWQNUSA-N -2 3 385.438 2.784 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000567803211 564389706 /nfs/dbraw/zinc/38/97/06/564389706.db2.gz SJKAXASSISLRIG-MRVPVSSYSA-N -2 3 375.349 2.927 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H]1CCC[C@@H](C)C1 ZINC000452087259 564389759 /nfs/dbraw/zinc/38/97/59/564389759.db2.gz NWKDVDIZFWFFAF-AGIUHOORSA-N -2 3 392.518 2.690 20 0 GFADHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-])C1CC1 ZINC000568001017 564399773 /nfs/dbraw/zinc/39/97/73/564399773.db2.gz IZOPKTVXNITMKL-MADCSZMMSA-N -2 3 396.690 2.880 20 0 GFADHL CCc1nc(C[N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cs1 ZINC000544929818 564404186 /nfs/dbraw/zinc/40/41/86/564404186.db2.gz QXELEGCKEZVSLL-UHFFFAOYSA-N -2 3 390.870 2.544 20 0 GFADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-] ZINC000568257175 564411310 /nfs/dbraw/zinc/41/13/10/564411310.db2.gz DOUPNYOYZKRLEJ-UHFFFAOYSA-N -2 3 398.250 2.519 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccc1F ZINC000568471104 564420123 /nfs/dbraw/zinc/42/01/23/564420123.db2.gz ASSXSRAEUKWKHZ-CYBMUJFWSA-N -2 3 387.816 2.982 20 0 GFADHL COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000515379731 564477859 /nfs/dbraw/zinc/47/78/59/564477859.db2.gz PCDBFDUIYPZWMR-GFCCVEGCSA-N -2 3 381.475 2.853 20 0 GFADHL O=S(=O)(NCc1ncccc1[O-])c1ccc(Br)cc1Cl ZINC000480735560 564484831 /nfs/dbraw/zinc/48/48/31/564484831.db2.gz XOOSQVVSLFPPIR-UHFFFAOYSA-N -2 3 377.647 2.682 20 0 GFADHL O=S(=O)([N-]Cc1ncccc1[O-])c1ccc(Br)cc1Cl ZINC000480735560 564484834 /nfs/dbraw/zinc/48/48/34/564484834.db2.gz XOOSQVVSLFPPIR-UHFFFAOYSA-N -2 3 377.647 2.682 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1cccs1 ZINC000547544362 564492574 /nfs/dbraw/zinc/49/25/74/564492574.db2.gz VMQQIADCEBVVBU-CYBMUJFWSA-N -2 3 380.472 2.976 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000516252616 564498117 /nfs/dbraw/zinc/49/81/17/564498117.db2.gz IKTRTLJEHRLCNQ-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)(C(=O)[O-])C1(C)C ZINC000548028552 564528077 /nfs/dbraw/zinc/52/80/77/564528077.db2.gz ASQOGVCWFOPOHE-DOMZBBRYSA-N -2 3 396.292 2.930 20 0 GFADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)(C(=O)[O-])C1(C)C ZINC000548028554 564528490 /nfs/dbraw/zinc/52/84/90/564528490.db2.gz ASQOGVCWFOPOHE-SWLSCSKDSA-N -2 3 396.292 2.930 20 0 GFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000548541404 564557436 /nfs/dbraw/zinc/55/74/36/564557436.db2.gz BPGNPSPCYZRFEC-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000548559815 564560327 /nfs/dbraw/zinc/56/03/27/564560327.db2.gz URSRFZVSDUKLSF-CQSZACIVSA-N -2 3 393.770 2.732 20 0 GFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000548619676 564567309 /nfs/dbraw/zinc/56/73/09/564567309.db2.gz AOFRPVCYFZGKRD-MRVPVSSYSA-N -2 3 382.251 2.756 20 0 GFADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-])C1CC1 ZINC000548867493 564578523 /nfs/dbraw/zinc/57/85/23/564578523.db2.gz LQTAKDFJLKRBIW-JMCQJSRRSA-N -2 3 396.690 2.880 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-] ZINC000485063122 564605606 /nfs/dbraw/zinc/60/56/06/564605606.db2.gz MFXIFIXCVWQUEC-GFCCVEGCSA-N -2 3 391.873 2.684 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000551996118 564671317 /nfs/dbraw/zinc/67/13/17/564671317.db2.gz NXYGENYLJMUFBL-LURJTMIESA-N -2 3 380.171 2.925 20 0 GFADHL COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1F ZINC000575632625 564701175 /nfs/dbraw/zinc/70/11/75/564701175.db2.gz ITAUKLZQBGXXPE-UHFFFAOYSA-N -2 3 391.373 2.620 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000526059367 564718287 /nfs/dbraw/zinc/71/82/87/564718287.db2.gz GEWCWTHCNCFPSB-YGRLFVJLSA-N -2 3 393.889 2.531 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000527051418 564728151 /nfs/dbraw/zinc/72/81/51/564728151.db2.gz IFXFOROIXMZQSX-JTQLQIEISA-N -2 3 398.359 2.714 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000527301081 564738126 /nfs/dbraw/zinc/73/81/26/564738126.db2.gz DJJHZAUOOXWBPT-JTQLQIEISA-N -2 3 398.359 2.714 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(F)cc1[O-] ZINC000555058363 564782005 /nfs/dbraw/zinc/78/20/05/564782005.db2.gz KNCKFQFMIDFANW-UHFFFAOYSA-N -2 3 393.223 2.755 20 0 GFADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2sccc2-c2ccccc2)s1 ZINC000492127284 564798738 /nfs/dbraw/zinc/79/87/38/564798738.db2.gz LYLFCGPNEOHZDT-UHFFFAOYSA-N -2 3 380.476 2.890 20 0 GFADHL CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2OC)C1 ZINC000581820327 564818712 /nfs/dbraw/zinc/81/87/12/564818712.db2.gz ACSRTWCTCIXBEV-NWDGAFQWSA-N -2 3 391.486 2.875 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCCCC2CCCC2)c(F)c1 ZINC000462590843 564851143 /nfs/dbraw/zinc/85/11/43/564851143.db2.gz KLJYRTBAMRPDGZ-UHFFFAOYSA-N -2 3 392.518 2.836 20 0 GFADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000530472566 564883982 /nfs/dbraw/zinc/88/39/82/564883982.db2.gz IOLVNAXVKKJCBD-LLVKDONJSA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000530529578 564886594 /nfs/dbraw/zinc/88/65/94/564886594.db2.gz MYOQSQTWVSRFAJ-GFCCVEGCSA-N -2 3 380.235 2.510 20 0 GFADHL Cc1csc(S(=O)(=O)[N-]C[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])c1 ZINC000583484637 564894007 /nfs/dbraw/zinc/89/40/07/564894007.db2.gz VMNYOQWCJUIVHM-JTQLQIEISA-N -2 3 393.408 2.696 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]CCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000558736383 564912983 /nfs/dbraw/zinc/91/29/83/564912983.db2.gz PEUVQLDXDLEHSS-CQSZACIVSA-N -2 3 383.491 2.759 20 0 GFADHL O=C(Nc1ccccc1[O-])c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000531903677 564923808 /nfs/dbraw/zinc/92/38/08/564923808.db2.gz WRWPUIVRCQUCSU-UHFFFAOYSA-N -2 3 375.431 2.902 20 0 GFADHL Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)n1 ZINC000584234900 564927072 /nfs/dbraw/zinc/92/70/72/564927072.db2.gz AFSDPVBPGVVVIC-VIFPVBQESA-N -2 3 390.870 2.608 20 0 GFADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1OC ZINC000559267851 564928625 /nfs/dbraw/zinc/92/86/25/564928625.db2.gz WGRCTIPXIJHSFN-UHFFFAOYSA-N -2 3 391.858 2.525 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H](CCC(=O)[O-])C1(C)C ZINC000657144171 565077559 /nfs/dbraw/zinc/07/75/59/565077559.db2.gz CPRBTKLCMBMARM-YGRLFVJLSA-N -2 3 375.874 2.906 20 0 GFADHL O=C([O-])c1c(F)cc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1F ZINC000584565961 565088183 /nfs/dbraw/zinc/08/81/83/565088183.db2.gz JBEMNRIBDVUEFJ-UHFFFAOYSA-N -2 3 381.278 2.559 20 0 GFADHL O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(OC(F)(F)F)cc1[O-] ZINC000685901962 565130458 /nfs/dbraw/zinc/13/04/58/565130458.db2.gz VTEVLJCZIKLDDW-UHFFFAOYSA-N -2 3 383.266 2.611 20 0 GFADHL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000685902385 565130622 /nfs/dbraw/zinc/13/06/22/565130622.db2.gz QDKKPYQYXMXIQJ-UHFFFAOYSA-N -3 3 376.312 2.613 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2sc(Br)cc2C)c[n-]1 ZINC000593280274 565323774 /nfs/dbraw/zinc/32/37/74/565323774.db2.gz UKDBOFBLCSXCQN-UHFFFAOYSA-N -2 3 394.272 2.520 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)c[n-]1 ZINC000593279709 565324662 /nfs/dbraw/zinc/32/46/62/565324662.db2.gz JLKMUAQJQGEXAC-UHFFFAOYSA-N -2 3 384.266 2.897 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C3CCC3)s2)cs1 ZINC000663255006 565404341 /nfs/dbraw/zinc/40/43/41/565404341.db2.gz OFSKLLDMJNSFNH-LLVKDONJSA-N -2 3 386.520 2.959 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1)c1nc(C(F)(F)F)cs1 ZINC000645988446 565580230 /nfs/dbraw/zinc/58/02/30/565580230.db2.gz HICZGRIYNGJVCQ-MRVPVSSYSA-N -2 3 395.384 2.685 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-])C1CC1 ZINC000647130208 565640304 /nfs/dbraw/zinc/64/03/04/565640304.db2.gz GBXZMKYQGZNLTP-LLVKDONJSA-N -2 3 392.271 2.622 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1c([O-])cccc1Cl ZINC000647836126 565679849 /nfs/dbraw/zinc/67/98/49/565679849.db2.gz XDXSZPSNUAGINP-UHFFFAOYSA-N -2 3 381.262 2.678 20 0 GFADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650418311 565819155 /nfs/dbraw/zinc/81/91/55/565819155.db2.gz ULDYLCYIKNNJEA-UHFFFAOYSA-N -2 3 375.752 2.770 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](CC1CC1)C(=O)[O-] ZINC000629305646 565840432 /nfs/dbraw/zinc/84/04/32/565840432.db2.gz OXNUVPXJZVKUDQ-JTQLQIEISA-N -2 3 394.262 2.676 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000630436293 565901249 /nfs/dbraw/zinc/90/12/49/565901249.db2.gz UBTHQWATJLWNGS-APPZFPTMSA-N -2 3 382.663 2.634 20 0 GFADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-])C1CC1 ZINC000656167746 566108581 /nfs/dbraw/zinc/10/85/81/566108581.db2.gz ATEOXMPBQMXRTO-STQMWFEESA-N -2 3 382.265 2.540 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000681572859 566113858 /nfs/dbraw/zinc/11/38/58/566113858.db2.gz NTKZEMIZOMZKEX-LLVKDONJSA-N -2 3 388.898 2.896 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C ZINC000656509208 566128577 /nfs/dbraw/zinc/12/85/77/566128577.db2.gz OJOHDETWFRYFLN-CYBMUJFWSA-N -2 3 394.287 2.625 20 0 GFADHL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)nc21 ZINC000737417104 598909879 /nfs/dbraw/zinc/90/98/79/598909879.db2.gz GANZRRIOLYBYQQ-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)nc21 ZINC000737417104 598909881 /nfs/dbraw/zinc/90/98/81/598909881.db2.gz GANZRRIOLYBYQQ-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000737301144 598929768 /nfs/dbraw/zinc/92/97/68/598929768.db2.gz IZUDUMVANOLSKI-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL O=C([O-])C1(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC1 ZINC000822936214 599301317 /nfs/dbraw/zinc/30/13/17/599301317.db2.gz SSGODYPUIBXNMU-UHFFFAOYSA-N -2 3 383.330 2.859 20 0 GFADHL O=C([O-])C1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC1 ZINC000822936214 599301319 /nfs/dbraw/zinc/30/13/19/599301319.db2.gz SSGODYPUIBXNMU-UHFFFAOYSA-N -2 3 383.330 2.859 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736447151 599218422 /nfs/dbraw/zinc/21/84/22/599218422.db2.gz RFXAUOHSOWEWPC-HNNXBMFYSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736447151 599218423 /nfs/dbraw/zinc/21/84/23/599218423.db2.gz RFXAUOHSOWEWPC-HNNXBMFYSA-N -2 3 393.513 2.809 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1Cl ZINC000822239718 599230850 /nfs/dbraw/zinc/23/08/50/599230850.db2.gz BADLCTVAGRHSRF-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1Cl ZINC000822239718 599230852 /nfs/dbraw/zinc/23/08/52/599230852.db2.gz BADLCTVAGRHSRF-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736262107 598414830 /nfs/dbraw/zinc/41/48/30/598414830.db2.gz MGYSMJZHWYCYTQ-GHMZBOCLSA-N -2 3 397.888 2.541 20 0 GFADHL C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736262107 598414831 /nfs/dbraw/zinc/41/48/31/598414831.db2.gz MGYSMJZHWYCYTQ-GHMZBOCLSA-N -2 3 397.888 2.541 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000822267547 607378031 /nfs/dbraw/zinc/37/80/31/607378031.db2.gz ZXDHIAPAOZJQND-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000822267547 607378033 /nfs/dbraw/zinc/37/80/33/607378033.db2.gz ZXDHIAPAOZJQND-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(Br)ccc32)o1 ZINC000740175637 599773916 /nfs/dbraw/zinc/77/39/16/599773916.db2.gz QFFORRDQXMCBFK-NSHDSACASA-N -2 3 386.223 2.706 20 0 GFADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1OC ZINC000737868944 599854869 /nfs/dbraw/zinc/85/48/69/599854869.db2.gz XMJLJBZJLVWQJS-UHFFFAOYSA-N -2 3 379.434 2.830 20 0 GFADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCCC(=O)[O-])cc3)ccc2O1 ZINC000504518419 599938506 /nfs/dbraw/zinc/93/85/06/599938506.db2.gz LKEUWJKVDBRIQH-LBPRGKRZSA-N -2 3 377.418 2.664 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCc2cccc(Br)c2)o1 ZINC000740175684 599940369 /nfs/dbraw/zinc/94/03/69/599940369.db2.gz UCKNIQPKTONDDR-UHFFFAOYSA-N -2 3 388.239 2.651 20 0 GFADHL C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000736822664 600396052 /nfs/dbraw/zinc/39/60/52/600396052.db2.gz UHMWFGKREQFKFQ-LBPRGKRZSA-N -2 3 394.424 2.550 20 0 GFADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)cc2)n1 ZINC000738372423 600627411 /nfs/dbraw/zinc/62/74/11/600627411.db2.gz RBFIGEKYTJFVSK-UHFFFAOYSA-N -2 3 385.445 2.917 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccs2)c(F)cc1Br ZINC000740088454 600633237 /nfs/dbraw/zinc/63/32/37/600633237.db2.gz XMBAWFULWUNHGM-UHFFFAOYSA-N -2 3 394.243 2.826 20 0 GFADHL O=C([O-])[C@H](OC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1Cl ZINC000833109737 600657180 /nfs/dbraw/zinc/65/71/80/600657180.db2.gz SCMRBDSKNABGAR-OAHLLOKOSA-N -2 3 398.198 2.798 20 0 GFADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)OC)c2)cc1 ZINC000829537727 600687890 /nfs/dbraw/zinc/68/78/90/600687890.db2.gz CMGGPNJIWFGJQX-UHFFFAOYSA-N -2 3 393.417 2.761 20 0 GFADHL O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000833215302 600762604 /nfs/dbraw/zinc/76/26/04/600762604.db2.gz FBEXHUAAGJTZOW-KSSFIOAISA-N -2 3 394.427 2.602 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1C(=O)[O-] ZINC000265700257 600815299 /nfs/dbraw/zinc/81/52/99/600815299.db2.gz DLCVAOMUQVJBHN-HNNXBMFYSA-N -2 3 377.418 2.662 20 0 GFADHL O=C([O-])Cc1nc([N-]C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)n[nH]1 ZINC000833270610 601084032 /nfs/dbraw/zinc/08/40/32/601084032.db2.gz RQCFPSKNGVIETM-UHFFFAOYSA-N -2 3 397.338 2.826 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c1F ZINC000833294336 601229442 /nfs/dbraw/zinc/22/94/42/601229442.db2.gz QTZRCPSYGYMIGZ-UHFFFAOYSA-N -2 3 398.412 2.794 20 0 GFADHL COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832259503 601229514 /nfs/dbraw/zinc/22/95/14/601229514.db2.gz WPHUJSOWGPQUIP-UHFFFAOYSA-N -2 3 385.388 2.501 20 0 GFADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C12CCCC2 ZINC000829931367 601239815 /nfs/dbraw/zinc/23/98/15/601239815.db2.gz NTNAOQUBFTVCML-CHWSQXEVSA-N -2 3 389.420 2.679 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)sc1Br ZINC000123549723 601256328 /nfs/dbraw/zinc/25/63/28/601256328.db2.gz AYYOCDJNVRAQQI-LLVKDONJSA-N -2 3 390.280 2.923 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000032631071 601322679 /nfs/dbraw/zinc/32/26/79/601322679.db2.gz UCWHPPNROKUVMW-NYYWCZLTSA-N -2 3 377.418 2.610 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2csc(-c3ccccc3)n2)o1 ZINC000833323480 601566906 /nfs/dbraw/zinc/56/69/06/601566906.db2.gz VLUOESXPZAEACD-UHFFFAOYSA-N -2 3 378.431 2.622 20 0 GFADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)C2CC2)n1 ZINC000185064902 601580502 /nfs/dbraw/zinc/58/05/02/601580502.db2.gz RHCCWXDJEFFAMS-CYBMUJFWSA-N -2 3 388.417 2.858 20 0 GFADHL CC[C@@H](C)CSCc1nc(=O)c2c(CC(=O)[O-])c(C(=O)OC)sc2[n-]1 ZINC000828753126 601677923 /nfs/dbraw/zinc/67/79/23/601677923.db2.gz GFPDRNJNDCJHAY-MRVPVSSYSA-N -2 3 384.479 2.678 20 0 GFADHL CC(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000826806677 601968421 /nfs/dbraw/zinc/96/84/21/601968421.db2.gz HTVHTCAQPFHRNK-OAHLLOKOSA-N -2 3 385.482 2.561 20 0 GFADHL CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000068601933 602157726 /nfs/dbraw/zinc/15/77/26/602157726.db2.gz LQLIYRBTMAUJMT-IUCAKERBSA-N -2 3 380.260 2.987 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739996202 602457339 /nfs/dbraw/zinc/45/73/39/602457339.db2.gz PJZDSSJXIQYEOK-CQSZACIVSA-N -2 3 391.449 2.786 20 0 GFADHL O=C([O-])NCc1nc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)cs1 ZINC000740686108 602721231 /nfs/dbraw/zinc/72/12/31/602721231.db2.gz VYQMQHQYZDIGJI-UHFFFAOYSA-N -2 3 378.801 2.602 20 0 GFADHL O=C([O-])Nc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000740700245 602844657 /nfs/dbraw/zinc/84/46/57/602844657.db2.gz UIJBUPRJLDXARJ-UHFFFAOYSA-N -2 3 387.411 2.969 20 0 GFADHL O=C([O-])Nc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c([O-])c1 ZINC000740700627 602854120 /nfs/dbraw/zinc/85/41/20/602854120.db2.gz WGIRPDAYFQVNTC-UHFFFAOYSA-N -2 3 385.420 2.609 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(NC(=O)[O-])CC3)cc2)cc1 ZINC000830421067 604417106 /nfs/dbraw/zinc/41/71/06/604417106.db2.gz HQKUJTGHARKSRT-UHFFFAOYSA-N -2 3 389.433 2.535 20 0 GFADHL CC(C)c1cccnc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824352576 607694367 /nfs/dbraw/zinc/69/43/67/607694367.db2.gz JFQDOTWCZAABAR-UHFFFAOYSA-N -2 3 378.845 2.839 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c(Br)o1 ZINC000833303196 604663736 /nfs/dbraw/zinc/66/37/36/604663736.db2.gz LZDRAECWSQDMQF-LURJTMIESA-N -2 3 388.186 2.597 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c[nH]c2=O)c(Cl)c1Cl ZINC000833734571 604803909 /nfs/dbraw/zinc/80/39/09/604803909.db2.gz NIWGERQARUQLLA-UHFFFAOYSA-N -2 3 393.204 2.602 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832868677 604809543 /nfs/dbraw/zinc/80/95/43/604809543.db2.gz RJTNFLVKYXZRTC-UHFFFAOYSA-N -3 3 399.808 2.611 20 0 GFADHL CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833428344 605027803 /nfs/dbraw/zinc/02/78/03/605027803.db2.gz YFBRJTAHJKSCMN-CABZTGNLSA-N -2 3 377.409 2.535 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1nc(C2CCCCC2)no1 ZINC000833523815 605041107 /nfs/dbraw/zinc/04/11/07/605041107.db2.gz YHERPWKQWMTJOJ-LLVKDONJSA-N -2 3 379.438 2.855 20 0 GFADHL C[C@H](COc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000565537261 605197514 /nfs/dbraw/zinc/19/75/14/605197514.db2.gz AUGMJGMSXCHDGY-SECBINFHSA-N -2 3 393.339 2.742 20 0 GFADHL O=C([N-]c1nnc(-c2ccco2)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823383667 606668178 /nfs/dbraw/zinc/66/81/78/606668178.db2.gz WZYZLMPVBZLZLV-UHFFFAOYSA-N -2 3 375.320 2.509 20 0 GFADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000821589497 606820350 /nfs/dbraw/zinc/82/03/50/606820350.db2.gz PUVKGFGTRYWDSG-UHFFFAOYSA-N -2 3 394.460 2.887 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826493070 607817506 /nfs/dbraw/zinc/81/75/06/607817506.db2.gz RMGADDRXAAORMU-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826493070 607817507 /nfs/dbraw/zinc/81/75/07/607817507.db2.gz RMGADDRXAAORMU-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1-c1nnn[n-]1 ZINC000826304104 608267670 /nfs/dbraw/zinc/26/76/70/608267670.db2.gz WICMNWGSYCNIOX-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1-c1nn[n-]n1 ZINC000826304104 608267672 /nfs/dbraw/zinc/26/76/72/608267672.db2.gz WICMNWGSYCNIOX-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)c1-c1nnn[n-]1 ZINC000826304018 609423410 /nfs/dbraw/zinc/42/34/10/609423410.db2.gz RGDNAZNLSWDNBG-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)c1-c1nn[n-]n1 ZINC000826304018 609423413 /nfs/dbraw/zinc/42/34/13/609423413.db2.gz RGDNAZNLSWDNBG-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837287058 660982185 /nfs/dbraw/zinc/98/21/85/660982185.db2.gz AEGGFNJPCGRYGD-MRVPVSSYSA-N -2 3 399.694 2.809 20 0 GFADHL O=C([O-])CC1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC000312381069 655379786 /nfs/dbraw/zinc/37/97/86/655379786.db2.gz RHWCHNRDUAMGGT-UHFFFAOYSA-N -2 3 382.663 2.778 20 0 GFADHL CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000579705305 655502665 /nfs/dbraw/zinc/50/26/65/655502665.db2.gz LCAFHECRZLGFAP-SDBXPKJASA-N -2 3 390.870 2.549 20 0 GFADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000580196658 655509986 /nfs/dbraw/zinc/50/99/86/655509986.db2.gz XTZOGLLXHVEBNF-SCZZXKLOSA-N -2 3 385.335 2.646 20 0 GFADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000718126411 655524132 /nfs/dbraw/zinc/52/41/32/655524132.db2.gz WZEXENWRLYBHLJ-UHFFFAOYSA-N -2 3 382.663 2.634 20 0 GFADHL C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCO1 ZINC000761320544 656011536 /nfs/dbraw/zinc/01/15/36/656011536.db2.gz HZGIMFRJQKQDRO-IUCAKERBSA-N -2 3 382.265 2.785 20 0 GFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000764914613 656123007 /nfs/dbraw/zinc/12/30/07/656123007.db2.gz GLAKKOYYCDGDNL-SNVBAGLBSA-N -2 3 398.250 2.519 20 0 GFADHL O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000776601200 656765244 /nfs/dbraw/zinc/76/52/44/656765244.db2.gz NVRYJNWXQKKPSI-LBPRGKRZSA-N -2 3 382.265 2.542 20 0 GFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000776618436 656769008 /nfs/dbraw/zinc/76/90/08/656769008.db2.gz XYJKMYCYHAJWGG-KCJUWKMLSA-N -2 3 382.251 2.756 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])c(C)c1Cl ZINC000788439444 657716802 /nfs/dbraw/zinc/71/68/02/657716802.db2.gz AKTXXKVWZJDCJY-SSDOTTSWSA-N -2 3 397.902 2.664 20 0 GFADHL Cc1nc(C=Cc2ccccc2I)[n-]c(=O)c1CC(=O)[O-] ZINC000794711259 658601479 /nfs/dbraw/zinc/60/14/79/658601479.db2.gz BVBYVCOVTPTSOE-VOTSOKGWSA-N -2 3 396.184 2.893 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(O)cc1 ZINC000844205297 661409388 /nfs/dbraw/zinc/40/93/88/661409388.db2.gz LAXOYXGWBKUWLM-JTQLQIEISA-N -2 3 382.246 2.865 20 0 GFADHL C[C@@H]1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)C[C@@H](C)O1 ZINC000844895182 661446465 /nfs/dbraw/zinc/44/64/65/661446465.db2.gz IHLJWDHMJIHYLB-HTQZYQBOSA-N -2 3 382.265 2.926 20 0 GFADHL CSc1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1 ZINC000852735869 661873026 /nfs/dbraw/zinc/87/30/26/661873026.db2.gz KCOUFMZEAQUUGU-STQMWFEESA-N -2 3 376.400 2.505 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)[C@H]1CCCOC1 ZINC000871937217 662743996 /nfs/dbraw/zinc/74/39/96/662743996.db2.gz SITFPZDUKPFAMR-IUCAKERBSA-N -2 3 382.265 2.785 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)CCO2 ZINC000906001095 663907025 /nfs/dbraw/zinc/90/70/25/663907025.db2.gz BAEFMSYGWRMXMX-KGXJWFGYSA-N -2 3 394.276 2.684 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)CCO2 ZINC000906001854 663907291 /nfs/dbraw/zinc/90/72/91/663907291.db2.gz MIBFLTCCHHKQGE-VOZQYIJBSA-N -2 3 394.276 2.684 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000261843129 553160498 /nfs/dbraw/zinc/16/04/98/553160498.db2.gz VVPYHZPYPBHGFB-XVKPBYJWSA-N -2 3 384.679 2.880 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000262460890 553171187 /nfs/dbraw/zinc/17/11/87/553171187.db2.gz JXXQRNMLVNSJDL-CPCISQLKSA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1c(F)cccc1F ZINC000296881491 563306168 /nfs/dbraw/zinc/30/61/68/563306168.db2.gz HYMVEUXJBQFGPW-NOZJJQNGSA-N -2 3 383.363 2.835 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000424366869 563376576 /nfs/dbraw/zinc/37/65/76/563376576.db2.gz JTLMNRODVQIYCP-UHFFFAOYSA-N -2 3 387.351 2.894 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000317388930 563442298 /nfs/dbraw/zinc/44/22/98/563442298.db2.gz MEKFWWDVZAYGOL-SNVBAGLBSA-N -2 3 394.287 2.627 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000324020832 563451708 /nfs/dbraw/zinc/45/17/08/563451708.db2.gz LYODTXUQGREHBA-LBPRGKRZSA-N -2 3 390.244 2.673 20 0 GFADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000327109418 563457003 /nfs/dbraw/zinc/45/70/03/563457003.db2.gz GBIRJRSCBYVQKG-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL CC(C)([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1cc(C(F)(F)F)on1 ZINC000427278357 563464868 /nfs/dbraw/zinc/46/48/68/563464868.db2.gz YNLXZKKTUDZDBD-UHFFFAOYSA-N -2 3 384.357 2.667 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F ZINC000285090228 563502379 /nfs/dbraw/zinc/50/23/79/563502379.db2.gz LOBWSRIYHTUKAW-MRVPVSSYSA-N -2 3 389.779 2.670 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])sc1Br ZINC000405733776 563539914 /nfs/dbraw/zinc/53/99/14/563539914.db2.gz XOIBQPZDFBUVSF-SECBINFHSA-N -2 3 382.301 2.598 20 0 GFADHL COC(=O)c1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)[n-]1 ZINC000436786750 563679378 /nfs/dbraw/zinc/67/93/78/563679378.db2.gz YZNFHUGQYRZVDR-UHFFFAOYSA-N -2 3 394.181 2.995 20 0 GFADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CC(F)C1 ZINC000436836503 563681061 /nfs/dbraw/zinc/68/10/61/563681061.db2.gz ZAGIQQNKDFERPB-UHFFFAOYSA-N -2 3 384.816 2.640 20 0 GFADHL COc1ccc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(Br)c1[O-] ZINC000417580572 563884447 /nfs/dbraw/zinc/88/44/47/563884447.db2.gz DGTNPHICGIJCLC-RNCFNFMXSA-N -2 3 390.274 2.910 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c[nH]1 ZINC000538941036 564206889 /nfs/dbraw/zinc/20/68/89/564206889.db2.gz SPVYPPIFSQEIHL-UHFFFAOYSA-N -2 3 381.154 2.554 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC000564924273 564257390 /nfs/dbraw/zinc/25/73/90/564257390.db2.gz YXMNICNGYFDQQT-LBPRGKRZSA-N -2 3 381.475 2.853 20 0 GFADHL O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1cc(F)cc(Cl)c1[O-] ZINC000474443053 564278874 /nfs/dbraw/zinc/27/88/74/564278874.db2.gz BTACNUOEPYYKSJ-UHFFFAOYSA-N -2 3 390.795 2.631 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1C(=O)[O-] ZINC000541933125 564295485 /nfs/dbraw/zinc/29/54/85/564295485.db2.gz XMZASDAWLFHFKJ-UHFFFAOYSA-N -2 3 379.312 2.505 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1C(=O)[O-] ZINC000565867152 564299483 /nfs/dbraw/zinc/29/94/83/564299483.db2.gz YFWDTTYCLTYTJD-UHFFFAOYSA-N -2 3 380.369 2.647 20 0 GFADHL CCc1nc(C(=O)[N-]c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)co1 ZINC000476772117 564353022 /nfs/dbraw/zinc/35/30/22/564353022.db2.gz CKCUVBAHZOTCOO-UHFFFAOYSA-N -2 3 387.820 2.723 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000567164719 564360478 /nfs/dbraw/zinc/36/04/78/564360478.db2.gz WJSNYYSLDAROSS-NEPJUHHUSA-N -2 3 386.882 2.995 20 0 GFADHL CCC1([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCCC1 ZINC000451886024 564362604 /nfs/dbraw/zinc/36/26/04/564362604.db2.gz CKYKBHUYVITIJN-UHFFFAOYSA-N -2 3 378.491 2.588 20 0 GFADHL C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000568522070 564423176 /nfs/dbraw/zinc/42/31/76/564423176.db2.gz PTZNTOQRGBHYSB-NSHDSACASA-N -2 3 384.479 2.543 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC000547608039 564501670 /nfs/dbraw/zinc/50/16/70/564501670.db2.gz HDWJPXIDJJEQCP-CYBMUJFWSA-N -2 3 388.898 2.643 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1cccnc1 ZINC000547895989 564517701 /nfs/dbraw/zinc/51/77/01/564517701.db2.gz IMIWGCZJBSHMCG-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000481972965 564530810 /nfs/dbraw/zinc/53/08/10/564530810.db2.gz XZEILQIQLJLERV-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000517748086 564541252 /nfs/dbraw/zinc/54/12/52/564541252.db2.gz PFWBNTZMPNZKMR-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)CC(=O)[O-] ZINC000548262278 564544537 /nfs/dbraw/zinc/54/45/37/564544537.db2.gz DVHXQICBPYEUFU-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)cc1F ZINC000548266409 564545258 /nfs/dbraw/zinc/54/52/58/564545258.db2.gz XMIZVWVFJOWEJN-AWEZNQCLSA-N -2 3 377.315 2.656 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000548263534 564545452 /nfs/dbraw/zinc/54/54/52/564545452.db2.gz BQDCKQLUQROMJF-VIFPVBQESA-N -2 3 384.317 2.987 20 0 GFADHL O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1ccccc1F ZINC000548264814 564545671 /nfs/dbraw/zinc/54/56/71/564545671.db2.gz RHTCXLFBCURFTH-CYBMUJFWSA-N -2 3 375.780 2.592 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c(F)cc1F ZINC000548559480 564560365 /nfs/dbraw/zinc/56/03/65/564560365.db2.gz OOPRNAYBUITOEN-AWEZNQCLSA-N -2 3 389.807 2.901 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000548590746 564565029 /nfs/dbraw/zinc/56/50/29/564565029.db2.gz WRKBPSFOFXXDBK-ZDUSSCGKSA-N -2 3 379.450 2.704 20 0 GFADHL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)CC2CCCCC2)c1 ZINC000571853541 564569864 /nfs/dbraw/zinc/56/98/64/564569864.db2.gz MPRRMNCLEUQFGS-UHFFFAOYSA-N -2 3 389.495 2.500 20 0 GFADHL CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000484794319 564599151 /nfs/dbraw/zinc/59/91/51/564599151.db2.gz IRTBUJVHVJVELP-LBPRGKRZSA-N -2 3 380.507 2.834 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1cccc(Br)c1Cl)CC(=O)[O-] ZINC000551240083 564643688 /nfs/dbraw/zinc/64/36/88/564643688.db2.gz YLYRABUWSPWBFD-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000527053104 564728327 /nfs/dbraw/zinc/72/83/27/564728327.db2.gz HVQISPLOAIVBRX-VXGBXAGGSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)c(F)c1 ZINC000577204332 564729218 /nfs/dbraw/zinc/72/92/18/564729218.db2.gz ISTDEXGWOWPNKN-DGCLKSJQSA-N -2 3 385.438 2.784 20 0 GFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000577984809 564739296 /nfs/dbraw/zinc/73/92/96/564739296.db2.gz YNOKUIPMAWMSDA-QMMMGPOBSA-N -2 3 398.250 2.519 20 0 GFADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461755886 564804066 /nfs/dbraw/zinc/80/40/66/564804066.db2.gz NBJXCYMWTJASGU-SNVBAGLBSA-N -2 3 379.381 2.741 20 0 GFADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000582961860 564870291 /nfs/dbraw/zinc/87/02/91/564870291.db2.gz HFSQSVNXFHNHDQ-INIZCTEOSA-N -2 3 393.889 2.677 20 0 GFADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C(C)C ZINC000583141040 564877122 /nfs/dbraw/zinc/87/71/22/564877122.db2.gz UQUWZGDLSOWWFL-AWEZNQCLSA-N -2 3 394.287 2.625 20 0 GFADHL Cc1csc(S(=O)(=O)[N-][C@@H](CSCCc2ccccc2)C(=O)[O-])c1 ZINC000583366075 564888383 /nfs/dbraw/zinc/88/83/83/564888383.db2.gz NLHVQSKOPBGLDQ-AWEZNQCLSA-N -2 3 385.532 2.764 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C3CC3)s2)cs1 ZINC000558683607 564910379 /nfs/dbraw/zinc/91/03/79/564910379.db2.gz SWZYGZFRGFPLLX-XLKFXECMSA-N -2 3 386.520 2.958 20 0 GFADHL O=C([O-])[C@@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000560081655 564949154 /nfs/dbraw/zinc/94/91/54/564949154.db2.gz LOBPHQGNRPUUDO-CQSZACIVSA-N -2 3 389.807 2.983 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCC[C@H]3C(=O)[O-])s2)cs1 ZINC000562643261 565037548 /nfs/dbraw/zinc/03/75/48/565037548.db2.gz GKBLLMAVDPNUTD-GHMZBOCLSA-N -2 3 386.520 2.959 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c(F)c1 ZINC000563059511 565054376 /nfs/dbraw/zinc/05/43/76/565054376.db2.gz PMHRTYJFUMPAGI-VXGBXAGGSA-N -2 3 396.481 2.536 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-] ZINC000614325715 565106742 /nfs/dbraw/zinc/10/67/42/565106742.db2.gz GMESAKCMCHIHOR-MFKMUULPSA-N -2 3 389.857 2.820 20 0 GFADHL O=C([O-])C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000659208268 565207098 /nfs/dbraw/zinc/20/70/98/565207098.db2.gz FTUWQBKNMVIVQB-JTQLQIEISA-N -2 3 393.237 2.521 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CCC1 ZINC000663254634 565403879 /nfs/dbraw/zinc/40/38/79/565403879.db2.gz BSSJDFYUSUUOGW-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663423902 565419372 /nfs/dbraw/zinc/41/93/72/565419372.db2.gz KCUJVOSHXRDGFK-ZUZCIYMTSA-N -2 3 387.841 2.994 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000644571933 565483073 /nfs/dbraw/zinc/48/30/73/565483073.db2.gz KJAZYFJPTIAAHG-KCJUWKMLSA-N -2 3 387.351 2.748 20 0 GFADHL Cc1[n-][nH]c(=O)c1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000646411330 565602323 /nfs/dbraw/zinc/60/23/23/565602323.db2.gz BUFFUTDEWMFBAD-UHFFFAOYSA-N -2 3 397.616 2.933 20 0 GFADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000647616767 565666550 /nfs/dbraw/zinc/66/65/50/565666550.db2.gz NRAUPKJHTOWYCL-GFCCVEGCSA-N -2 3 394.287 2.625 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1Br ZINC000672775019 565816393 /nfs/dbraw/zinc/81/63/93/565816393.db2.gz LAZARQVLLVSANX-JTQLQIEISA-N -2 3 384.198 2.613 20 0 GFADHL CCCC[C@@H]([N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F)C(=O)[O-] ZINC000629292176 565836408 /nfs/dbraw/zinc/83/64/08/565836408.db2.gz CIBAEAUYBUKOQG-SECBINFHSA-N -2 3 385.360 2.516 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000629340499 565845959 /nfs/dbraw/zinc/84/59/59/565845959.db2.gz DDBXBGNUUBUAGC-BIGNPOOSSA-N -2 3 399.877 2.725 20 0 GFADHL CC1(C)CCC[C@]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)(C(=O)[O-])C1 ZINC000629335460 565846113 /nfs/dbraw/zinc/84/61/13/565846113.db2.gz ULFAZSDHDNSHJG-CQSZACIVSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])CCN(CC1CC1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000675971159 565921795 /nfs/dbraw/zinc/92/17/95/565921795.db2.gz OCIJIEVJGFLDPP-UHFFFAOYSA-N -2 3 393.237 2.618 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1 ZINC000683729508 566211260 /nfs/dbraw/zinc/21/12/60/566211260.db2.gz PDYWBHRZGIFKCA-SNVBAGLBSA-N -2 3 375.855 2.904 20 0 GFADHL CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735843911 598842460 /nfs/dbraw/zinc/84/24/60/598842460.db2.gz DQLOKOIWIHUTJV-UHFFFAOYSA-N -2 3 391.428 2.841 20 0 GFADHL CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735843911 598842462 /nfs/dbraw/zinc/84/24/62/598842462.db2.gz DQLOKOIWIHUTJV-UHFFFAOYSA-N -2 3 391.428 2.841 20 0 GFADHL CC(C)(CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C(=O)[O-] ZINC000735665466 598885894 /nfs/dbraw/zinc/88/58/94/598885894.db2.gz XQDDTFBUHLSBMI-UHFFFAOYSA-N -2 3 385.449 2.712 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000736634601 599157017 /nfs/dbraw/zinc/15/70/17/599157017.db2.gz NLGBJLUXCDUOAJ-UHFFFAOYSA-N -2 3 396.432 2.614 20 0 GFADHL O=S(=O)([N-]c1nc2ccsc2s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738340562 599286484 /nfs/dbraw/zinc/28/64/84/599286484.db2.gz ZEXOQNYBNRUHPR-UHFFFAOYSA-N -2 3 398.882 2.992 20 0 GFADHL O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738339647 598438708 /nfs/dbraw/zinc/43/87/08/598438708.db2.gz OUUDUGUUJYPJDA-UHFFFAOYSA-N -2 3 393.860 2.633 20 0 GFADHL O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738339647 598438710 /nfs/dbraw/zinc/43/87/10/598438710.db2.gz OUUDUGUUJYPJDA-UHFFFAOYSA-N -2 3 393.860 2.633 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736445197 598536169 /nfs/dbraw/zinc/53/61/69/598536169.db2.gz KFOBNVSVQSAAJG-CQSZACIVSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736445197 598536171 /nfs/dbraw/zinc/53/61/71/598536171.db2.gz KFOBNVSVQSAAJG-CQSZACIVSA-N -2 3 393.513 2.809 20 0 GFADHL CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccco1 ZINC000571675250 599731711 /nfs/dbraw/zinc/73/17/11/599731711.db2.gz DUWIAWMKGYCABP-MRXNPFEDSA-N -2 3 381.450 2.811 20 0 GFADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000736958843 599768882 /nfs/dbraw/zinc/76/88/82/599768882.db2.gz KRTHRDGRRNVYEX-ZDUSSCGKSA-N -2 3 398.250 2.519 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Cc1cccc(F)c1 ZINC000739503734 599979138 /nfs/dbraw/zinc/97/91/38/599979138.db2.gz WDFZWONLRHHSBN-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c([O-])c1 ZINC000738515305 599984388 /nfs/dbraw/zinc/98/43/88/599984388.db2.gz UZHFCKZDZATXAN-QGZVFWFLSA-N -2 3 384.432 2.543 20 0 GFADHL O=C([O-])[C@H](CNC(=O)c1cc2c(cc1[O-])OCO2)Cc1ccc2ccccc2c1 ZINC000739408022 600182175 /nfs/dbraw/zinc/18/21/75/600182175.db2.gz JOWIAUONVRBWHD-INIZCTEOSA-N -2 3 393.395 2.947 20 0 GFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000740242891 600245336 /nfs/dbraw/zinc/24/53/36/600245336.db2.gz WAQXWWNVSHJZAF-SJORKVTESA-N -2 3 391.445 2.868 20 0 GFADHL CC(C)Oc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1-c1nnn[n-]1 ZINC000820169613 607440709 /nfs/dbraw/zinc/44/07/09/607440709.db2.gz KOWNMKJGOVVFHQ-UHFFFAOYSA-N -2 3 375.335 2.890 20 0 GFADHL CC(C)Oc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1-c1nn[n-]n1 ZINC000820169613 607440711 /nfs/dbraw/zinc/44/07/11/607440711.db2.gz KOWNMKJGOVVFHQ-UHFFFAOYSA-N -2 3 375.335 2.890 20 0 GFADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000738838087 600486844 /nfs/dbraw/zinc/48/68/44/600486844.db2.gz PEWUJWBZCCSZDM-UHFFFAOYSA-N -2 3 398.806 2.673 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1C(=O)[O-] ZINC000047949105 600541350 /nfs/dbraw/zinc/54/13/50/600541350.db2.gz KJKVFPFARXGCGP-UHFFFAOYSA-N -2 3 387.316 2.516 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1C(=O)[O-] ZINC000055583262 600542543 /nfs/dbraw/zinc/54/25/43/600542543.db2.gz BCGUBGVWFCNTGV-UHFFFAOYSA-N -2 3 390.417 2.543 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCCC2)c(F)cc1Br ZINC000740087040 600633098 /nfs/dbraw/zinc/63/30/98/600633098.db2.gz GEHXXUDFXJSQPO-UHFFFAOYSA-N -2 3 380.235 2.755 20 0 GFADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCCC1 ZINC000736739120 600633671 /nfs/dbraw/zinc/63/36/71/600633671.db2.gz WHSGBBWQBXONPC-UHFFFAOYSA-N -2 3 380.235 2.897 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000584051431 600650978 /nfs/dbraw/zinc/65/09/78/600650978.db2.gz YFJPOCQOKOTEEJ-KRWDZBQOSA-N -2 3 388.445 2.666 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)ccc1O ZINC000388592402 600687374 /nfs/dbraw/zinc/68/73/74/600687374.db2.gz SZZJDTSBAZFPRV-UHFFFAOYSA-N -2 3 390.186 2.793 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)cc1C(=O)[O-] ZINC000833026722 601217939 /nfs/dbraw/zinc/21/79/39/601217939.db2.gz IUUWSKPBENEBQM-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1C(=O)[O-] ZINC000265469769 601223852 /nfs/dbraw/zinc/22/38/52/601223852.db2.gz APAAQGAHRZXGGF-UHFFFAOYSA-N -2 3 379.434 2.644 20 0 GFADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C2CC2)s1 ZINC000832986053 601238542 /nfs/dbraw/zinc/23/85/42/601238542.db2.gz TXMIQRAYDQTKGZ-CYBMUJFWSA-N -2 3 388.417 2.858 20 0 GFADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000832874254 601329463 /nfs/dbraw/zinc/32/94/63/601329463.db2.gz JFISLNKDGIGCDM-VMPITWQZSA-N -3 3 375.402 2.900 20 0 GFADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000484797047 601333372 /nfs/dbraw/zinc/33/33/72/601333372.db2.gz MCLAMIBYKYKBFT-UHFFFAOYSA-N -2 3 379.434 2.909 20 0 GFADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])ccc1F ZINC000831029451 601684454 /nfs/dbraw/zinc/68/44/54/601684454.db2.gz RYRYWOWQCXVVRB-UHFFFAOYSA-N -2 3 394.424 2.808 20 0 GFADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000739671454 601829875 /nfs/dbraw/zinc/82/98/75/601829875.db2.gz FFPRNWGMZKLMKL-UHFFFAOYSA-N -3 3 399.808 2.693 20 0 GFADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832992912 601877152 /nfs/dbraw/zinc/87/71/52/601877152.db2.gz BZBAPHGWEYKAFX-UHFFFAOYSA-N -2 3 396.378 2.961 20 0 GFADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832993486 601877232 /nfs/dbraw/zinc/87/72/32/601877232.db2.gz WZUDDJBEEMMWLO-UHFFFAOYSA-N -2 3 396.378 2.549 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])cc2)n1 ZINC000740053688 601910304 /nfs/dbraw/zinc/91/03/04/601910304.db2.gz GUXAPYHMTOLTQW-KRWDZBQOSA-N -2 3 392.415 2.563 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(Cl)n1 ZINC000769640755 602106529 /nfs/dbraw/zinc/10/65/29/602106529.db2.gz XWVMOQLNRJVGDL-UHFFFAOYSA-N -2 3 377.205 2.896 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCc2ccccc2)c(Br)o1 ZINC000238003275 602140214 /nfs/dbraw/zinc/14/02/14/602140214.db2.gz LETVOKAYWQCDCD-UHFFFAOYSA-N -2 3 388.239 2.651 20 0 GFADHL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000829187505 603263437 /nfs/dbraw/zinc/26/34/37/603263437.db2.gz JIYLWYVTMNDHMH-UHFFFAOYSA-N -2 3 388.771 2.871 20 0 GFADHL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000829187505 603263439 /nfs/dbraw/zinc/26/34/39/603263439.db2.gz JIYLWYVTMNDHMH-UHFFFAOYSA-N -2 3 388.771 2.871 20 0 GFADHL O=C([O-])COc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000833260768 604322854 /nfs/dbraw/zinc/32/28/54/604322854.db2.gz JIZTZCPLIYKLNU-UHFFFAOYSA-N -2 3 395.209 2.940 20 0 GFADHL Cc1cc([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])oc1C(=O)[O-] ZINC000832873764 604565189 /nfs/dbraw/zinc/56/51/89/604565189.db2.gz HVOUXKAOBVKUAB-OCCSQVGLSA-N -2 3 387.388 2.901 20 0 GFADHL Cc1cc([C@H](C)OC(=O)CCNC(=O)c2ccc(C)cc2[O-])oc1C(=O)[O-] ZINC000832912195 604579984 /nfs/dbraw/zinc/57/99/84/604579984.db2.gz XJBYTRKFBRTUAE-LBPRGKRZSA-N -2 3 375.377 2.725 20 0 GFADHL C[C@@]1([N-]S(=O)(=O)c2ccc(Br)s2)CCCC[C@@H]1C(=O)[O-] ZINC000833569556 604808114 /nfs/dbraw/zinc/80/81/14/604808114.db2.gz MUFNRNGRRCMBJX-PRHODGIISA-N -2 3 382.301 2.822 20 0 GFADHL COc1cc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc(OC)c1[O-] ZINC000833727444 605031601 /nfs/dbraw/zinc/03/16/01/605031601.db2.gz ZCUCBDXUGNVLQK-UHFFFAOYSA-N -2 3 396.399 2.787 20 0 GFADHL Cc1nc(C)c(CC(=O)O[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])c(=O)[n-]1 ZINC000833754880 605278713 /nfs/dbraw/zinc/27/87/13/605278713.db2.gz NHCCLYBNTWLXED-AWEZNQCLSA-N -2 3 398.337 2.599 20 0 GFADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)cn1 ZINC000834278207 606014692 /nfs/dbraw/zinc/01/46/92/606014692.db2.gz LDWIJWMQXKPAKC-UHFFFAOYSA-N -2 3 388.434 2.963 20 0 GFADHL O=S(=O)([N-]c1cnccc1-c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823589401 606601776 /nfs/dbraw/zinc/60/17/76/606601776.db2.gz YCXMFJRFRHFWMK-UHFFFAOYSA-N -2 3 396.407 2.869 20 0 GFADHL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n[nH]1 ZINC000822340955 606655765 /nfs/dbraw/zinc/65/57/65/606655765.db2.gz OKYDQVHAIITRPK-UHFFFAOYSA-N -2 3 399.411 2.505 20 0 GFADHL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n[nH]1 ZINC000822340955 606655766 /nfs/dbraw/zinc/65/57/66/606655766.db2.gz OKYDQVHAIITRPK-UHFFFAOYSA-N -2 3 399.411 2.505 20 0 GFADHL O=C([N-]c1nnc(-c2ccsc2)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823382958 606674747 /nfs/dbraw/zinc/67/47/47/606674747.db2.gz HULIHYIIYSWLPC-UHFFFAOYSA-N -2 3 391.388 2.977 20 0 GFADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000821589223 606751119 /nfs/dbraw/zinc/75/11/19/606751119.db2.gz DFMVPTJESVZCPB-UHFFFAOYSA-N -2 3 394.460 2.887 20 0 GFADHL CCOc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1C ZINC000821400350 606866259 /nfs/dbraw/zinc/86/62/59/606866259.db2.gz HXRBLKHDUSLVEV-UHFFFAOYSA-N -2 3 395.391 2.653 20 0 GFADHL CCOc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1C ZINC000821400350 606866261 /nfs/dbraw/zinc/86/62/61/606866261.db2.gz HXRBLKHDUSLVEV-UHFFFAOYSA-N -2 3 395.391 2.653 20 0 GFADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(Cl)c2ccccc21 ZINC000823589439 607027325 /nfs/dbraw/zinc/02/73/25/607027325.db2.gz ZJMUEKQCGIGWMO-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL C[C@@](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000820225557 607120576 /nfs/dbraw/zinc/12/05/76/607120576.db2.gz LCWLNYNOYAGHKX-SFHVURJKSA-N -2 3 385.811 2.891 20 0 GFADHL C[C@@](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000820225557 607120577 /nfs/dbraw/zinc/12/05/77/607120577.db2.gz LCWLNYNOYAGHKX-SFHVURJKSA-N -2 3 385.811 2.891 20 0 GFADHL CC(C)Cn1ncc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824285007 608266025 /nfs/dbraw/zinc/26/60/25/608266025.db2.gz SBWALAQTZLGUQA-UHFFFAOYSA-N -2 3 389.485 2.643 20 0 GFADHL CC(C)Cn1ncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824285007 608266027 /nfs/dbraw/zinc/26/60/27/608266027.db2.gz SBWALAQTZLGUQA-UHFFFAOYSA-N -2 3 389.485 2.643 20 0 GFADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)(C(=O)[O-])C1(C)C ZINC000276655541 655282500 /nfs/dbraw/zinc/28/25/00/655282500.db2.gz YEWBNMKKRBBIKD-LKFCYVNXSA-N -2 3 381.903 2.647 20 0 GFADHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)o1 ZINC000187534867 655375287 /nfs/dbraw/zinc/37/52/87/655375287.db2.gz ZBLUAXOIRJNAGU-UHFFFAOYSA-N -2 3 382.747 2.884 20 0 GFADHL Cc1cc(Br)cc(S(=O)(=O)[N-][N-]C(=O)NC2CCCCC2)c1 ZINC000188269922 655379139 /nfs/dbraw/zinc/37/91/39/655379139.db2.gz CDOIUIQEPCYYOC-UHFFFAOYSA-N -2 3 390.303 2.583 20 0 GFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000578006209 655470993 /nfs/dbraw/zinc/47/09/93/655470993.db2.gz BUFNWZXHESQCLN-VIFPVBQESA-N -2 3 384.679 2.738 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c(Br)s1 ZINC000701931991 655521600 /nfs/dbraw/zinc/52/16/00/655521600.db2.gz QDYZSQOLAWRDRL-YFKPBYRVSA-N -2 3 390.227 2.532 20 0 GFADHL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1c[nH]c2cccc(F)c21 ZINC000769859952 656295595 /nfs/dbraw/zinc/29/55/95/656295595.db2.gz RWKPQSZMTWNHLU-UHFFFAOYSA-N -2 3 378.282 2.564 20 0 GFADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000776485032 656746707 /nfs/dbraw/zinc/74/67/07/656746707.db2.gz RHEWFZXVFPQSNF-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)c1 ZINC000785706118 657383754 /nfs/dbraw/zinc/38/37/54/657383754.db2.gz VYNOMBGCEBGIBO-UHFFFAOYSA-N -2 3 384.772 2.797 20 0 GFADHL Cc1ccoc1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000793344953 658387324 /nfs/dbraw/zinc/38/73/24/658387324.db2.gz XWAMGUWPBCQUPF-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000793366525 658391304 /nfs/dbraw/zinc/39/13/04/658391304.db2.gz AXVLLVIAJHDOJV-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000794868809 658629993 /nfs/dbraw/zinc/62/99/93/658629993.db2.gz BWONDNFQQJNORO-UHFFFAOYSA-N -2 3 399.343 2.626 20 0 GFADHL C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C[C@H](C)O1 ZINC000802722826 659496508 /nfs/dbraw/zinc/49/65/08/659496508.db2.gz LHMSOOFTTHOTAS-JGPRNRPPSA-N -2 3 377.409 2.535 20 0 GFADHL O=C([O-])CC1(CC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCCCC1 ZINC000844801338 661440918 /nfs/dbraw/zinc/44/09/18/661440918.db2.gz FUHOWLLTHJVHEH-UHFFFAOYSA-N -2 3 378.853 2.968 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CCOCC1 ZINC000844897094 661447047 /nfs/dbraw/zinc/44/70/47/661447047.db2.gz LGLKSCPMENRGRM-QMMMGPOBSA-N -2 3 382.265 2.785 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC000871937216 662743942 /nfs/dbraw/zinc/74/39/42/662743942.db2.gz SITFPZDUKPFAMR-DTWKUNHWSA-N -2 3 382.265 2.785 20 0 GFADHL O=C(c1cc(Br)cc(Cl)c1[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898215873 663638686 /nfs/dbraw/zinc/63/86/86/663638686.db2.gz KJFIJJXRARXWKO-SSDOTTSWSA-N -2 3 386.633 2.867 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)CCS2 ZINC000899949100 663703672 /nfs/dbraw/zinc/70/36/72/663703672.db2.gz LPBLGGMIKPRXKL-OSPBMLLASA-N -2 3 395.424 2.511 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CCC1 ZINC000399273721 563533753 /nfs/dbraw/zinc/53/37/53/563533753.db2.gz RCCVLYFUFHHZPG-NSHDSACASA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c[nH]1 ZINC000147798131 551398389 /nfs/dbraw/zinc/39/83/89/551398389.db2.gz ORENODBMXJNDKV-UHFFFAOYSA-N -2 3 379.619 2.930 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)c(F)cc1F ZINC000175764169 552128660 /nfs/dbraw/zinc/12/86/60/552128660.db2.gz LQBVMCJCUBGSQB-UHFFFAOYSA-N -2 3 394.396 2.585 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000185099670 552354204 /nfs/dbraw/zinc/35/42/04/552354204.db2.gz VERZLPKYGUHVDZ-LBPRGKRZSA-N -2 3 386.882 2.657 20 0 GFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235070609 553067766 /nfs/dbraw/zinc/06/77/66/553067766.db2.gz VEFMCYUFUKRPMU-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235431805 553067771 /nfs/dbraw/zinc/06/77/71/553067771.db2.gz VEFMCYUFUKRPMU-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL CC(C)CN(CCC(=O)[O-])C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000236748356 553071080 /nfs/dbraw/zinc/07/10/80/553071080.db2.gz FTEVPXJZUSNCMW-UHFFFAOYSA-N -2 3 395.253 2.864 20 0 GFADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-] ZINC000263546333 553189221 /nfs/dbraw/zinc/18/92/21/553189221.db2.gz HGIBZSQQCDTUDC-UHFFFAOYSA-N -2 3 398.250 2.519 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000424365172 563376872 /nfs/dbraw/zinc/37/68/72/563376872.db2.gz GNFZIGNREPCZGO-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000424396114 563377740 /nfs/dbraw/zinc/37/77/40/563377740.db2.gz WPSCLFDJFKYXCP-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000424392923 563377892 /nfs/dbraw/zinc/37/78/92/563377892.db2.gz QHTPMGFVAGZFPK-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)cc1 ZINC000317360769 563442487 /nfs/dbraw/zinc/44/24/87/563442487.db2.gz ZRRIKCNYWGQBLU-UHFFFAOYSA-N -2 3 386.223 2.957 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c(Br)c1 ZINC000321310089 563448010 /nfs/dbraw/zinc/44/80/10/563448010.db2.gz BGRPKZOCNYVIGL-UHFFFAOYSA-N -2 3 396.222 2.824 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000325006457 563453199 /nfs/dbraw/zinc/45/31/99/563453199.db2.gz BNOBWVCJKIRJFT-UHFFFAOYSA-N -2 3 380.369 2.647 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])sc1Cl ZINC000326859130 563455736 /nfs/dbraw/zinc/45/57/36/563455736.db2.gz VHDIVNSYLBEGKZ-SECBINFHSA-N -2 3 397.902 2.563 20 0 GFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1F ZINC000427337201 563465298 /nfs/dbraw/zinc/46/52/98/563465298.db2.gz ULXWDTBLEPLNQS-UHFFFAOYSA-N -2 3 387.772 2.749 20 0 GFADHL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)CCOC(F)(F)F ZINC000564553756 564238533 /nfs/dbraw/zinc/23/85/33/564238533.db2.gz IFYWEPOBOINVNJ-UHFFFAOYSA-N -2 3 381.250 2.682 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCC1 ZINC000564809087 564249986 /nfs/dbraw/zinc/24/99/86/564249986.db2.gz OKXZIPUHDFSFCP-UHFFFAOYSA-N -2 3 383.800 2.865 20 0 GFADHL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000565249656 564272964 /nfs/dbraw/zinc/27/29/64/564272964.db2.gz FMELTHXQZGNOQD-AWEZNQCLSA-N -2 3 395.253 2.862 20 0 GFADHL CSc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000509088543 564281993 /nfs/dbraw/zinc/28/19/93/564281993.db2.gz CWIXQQGUVBWEDW-UHFFFAOYSA-N -2 3 386.520 2.889 20 0 GFADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)c1ccc(C)o1 ZINC000546959533 564474903 /nfs/dbraw/zinc/47/49/03/564474903.db2.gz DWRKKJJKLBVQFU-CYBMUJFWSA-N -2 3 387.841 2.914 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])CCCC1 ZINC000569978928 564486843 /nfs/dbraw/zinc/48/68/43/564486843.db2.gz LQBRFTSDLVTZEQ-UHFFFAOYSA-N -2 3 375.830 2.513 20 0 GFADHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000547563976 564494890 /nfs/dbraw/zinc/49/48/90/564494890.db2.gz XZVSNIUXQPEGOX-LLVKDONJSA-N -2 3 397.758 2.926 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547570532 564495826 /nfs/dbraw/zinc/49/58/26/564495826.db2.gz WOZMEFHLHNYFLR-WCQYABFASA-N -2 3 380.235 2.510 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CSCC=C(C)C)C(=O)[O-])c1 ZINC000547608508 564501426 /nfs/dbraw/zinc/50/14/26/564501426.db2.gz FGFPOXRCBOWDRJ-CYBMUJFWSA-N -2 3 393.914 2.780 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000547608807 564501789 /nfs/dbraw/zinc/50/17/89/564501789.db2.gz KMVIIJXNDFGDNB-LBPRGKRZSA-N -2 3 381.878 2.910 20 0 GFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547611222 564502312 /nfs/dbraw/zinc/50/23/12/564502312.db2.gz OOSVRWAWSQLKLF-NSHDSACASA-N -2 3 382.251 2.756 20 0 GFADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000547874043 564514892 /nfs/dbraw/zinc/51/48/92/564514892.db2.gz LPEBWJMQOROLOB-CMPLNLGQSA-N -2 3 389.857 2.820 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]C[C@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000548202899 564535552 /nfs/dbraw/zinc/53/55/52/564535552.db2.gz CIGGWOOTZPPZAG-NSHDSACASA-N -2 3 389.882 2.632 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000548260363 564544800 /nfs/dbraw/zinc/54/48/00/564544800.db2.gz VMHMRWDSQTVXSC-QWRGUYRKSA-N -2 3 391.873 2.684 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c(C)c1 ZINC000548527364 564555551 /nfs/dbraw/zinc/55/55/51/564555551.db2.gz WYAAJMVDZYCNSO-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)sc1C(=O)[O-] ZINC000548531110 564556209 /nfs/dbraw/zinc/55/62/09/564556209.db2.gz PWLIKBPARRFKNK-UHFFFAOYSA-N -2 3 398.359 2.786 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548537380 564556884 /nfs/dbraw/zinc/55/68/84/564556884.db2.gz UOVRJJQTXDZSSI-ZWNOBZJWSA-N -2 3 387.841 2.553 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1ccc(Cl)cc1 ZINC000548536478 564556972 /nfs/dbraw/zinc/55/69/72/564556972.db2.gz XQPWDWRDGBLHRZ-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])c(Cl)c1Cl ZINC000548540880 564557505 /nfs/dbraw/zinc/55/75/05/564557505.db2.gz DOXZJOUHIGPTTA-IINYFYTJSA-N -2 3 382.265 2.924 20 0 GFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000548554820 564559349 /nfs/dbraw/zinc/55/93/49/564559349.db2.gz CMGVWKPGMZADKE-JTQLQIEISA-N -2 3 388.873 2.537 20 0 GFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548552368 564559368 /nfs/dbraw/zinc/55/93/68/564559368.db2.gz QLGCHNHSQYSVFM-VIFPVBQESA-N -2 3 382.251 2.900 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C ZINC000548592838 564565293 /nfs/dbraw/zinc/56/52/93/564565293.db2.gz DYNHPPJTEXXNPQ-LLVKDONJSA-N -2 3 391.873 2.684 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000519511118 564578869 /nfs/dbraw/zinc/57/88/69/564578869.db2.gz UYHUFTDOYAMEGY-NSHDSACASA-N -2 3 379.221 2.702 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000519799254 564591393 /nfs/dbraw/zinc/59/13/93/564591393.db2.gz YWYMMVQVGPIGNX-LBPRGKRZSA-N -2 3 394.758 2.858 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000574561070 564679032 /nfs/dbraw/zinc/67/90/32/564679032.db2.gz NIABNNIUWGPQLK-SWLSCSKDSA-N -2 3 381.372 2.739 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000526060683 564717805 /nfs/dbraw/zinc/71/78/05/564717805.db2.gz MRMFVPUKNZIYDN-RYUDHWBXSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1ccccc1OC1CCCC1 ZINC000576940631 564721794 /nfs/dbraw/zinc/72/17/94/564721794.db2.gz VBJQOOAMGMAEDE-UHFFFAOYSA-N -2 3 382.463 2.641 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCCCC1 ZINC000577218877 564730123 /nfs/dbraw/zinc/73/01/23/564730123.db2.gz NQLYLMUZXQBKMB-LLVKDONJSA-N -2 3 380.388 2.802 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000577607349 564737412 /nfs/dbraw/zinc/73/74/12/564737412.db2.gz KVQAFPLNKQHLOV-GFCCVEGCSA-N -2 3 376.793 2.578 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000554430522 564760538 /nfs/dbraw/zinc/76/05/38/564760538.db2.gz ZDGZTBCHMKBHOY-GXFFZTMASA-N -2 3 385.335 2.646 20 0 GFADHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000580824610 564775517 /nfs/dbraw/zinc/77/55/17/564775517.db2.gz DDXNEVMFJUMQNY-LLVKDONJSA-N -2 3 397.758 2.926 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1ccc(C(F)(F)F)s1 ZINC000461342579 564794110 /nfs/dbraw/zinc/79/41/10/564794110.db2.gz IVEUKQHXMNSCQE-UHFFFAOYSA-N -2 3 389.384 2.672 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1ccc(C(F)(F)F)s1 ZINC000461342579 564794115 /nfs/dbraw/zinc/79/41/15/564794115.db2.gz IVEUKQHXMNSCQE-UHFFFAOYSA-N -2 3 389.384 2.672 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000581566761 564808378 /nfs/dbraw/zinc/80/83/78/564808378.db2.gz DDJUICAFFAOJKD-GHMZBOCLSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1Cl ZINC000530372016 564878338 /nfs/dbraw/zinc/87/83/38/564878338.db2.gz IRCVNNPFPWRYHV-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2c[nH]c3ncccc23)C(=O)[O-])sc1Cl ZINC000530541544 564887542 /nfs/dbraw/zinc/88/75/42/564887542.db2.gz NVAKCGUKNMKIJV-NSHDSACASA-N -2 3 399.881 2.560 20 0 GFADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000559797985 564940437 /nfs/dbraw/zinc/94/04/37/564940437.db2.gz XTDRVDJQGKFBQD-LLVKDONJSA-N -2 3 393.303 2.794 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Br)c2)o1 ZINC000560933858 564980136 /nfs/dbraw/zinc/98/01/36/564980136.db2.gz DDWADQRYAUMAQJ-LBPRGKRZSA-N -2 3 388.239 2.845 20 0 GFADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c3ccccc3Cl)cn21 ZINC000561093514 564984148 /nfs/dbraw/zinc/98/41/48/564984148.db2.gz HFLWRTMKSGNKAI-ZUZCIYMTSA-N -2 3 383.857 2.538 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1cccs1 ZINC000562373405 565026721 /nfs/dbraw/zinc/02/67/21/565026721.db2.gz GCNBVFPUWSWQBN-NSHDSACASA-N -2 3 399.343 2.890 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000562936092 565048471 /nfs/dbraw/zinc/04/84/71/565048471.db2.gz FEEARUVHTZLPAS-GFCCVEGCSA-N -2 3 382.265 2.542 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c(Cl)c1Cl ZINC000685209854 565100105 /nfs/dbraw/zinc/10/01/05/565100105.db2.gz SKZJKTULEANBSG-ZCFIWIBFSA-N -2 3 392.207 2.636 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-] ZINC000614325716 565106668 /nfs/dbraw/zinc/10/66/68/565106668.db2.gz GMESAKCMCHIHOR-ZWNOBZJWSA-N -2 3 389.857 2.820 20 0 GFADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc(Br)c1[O-] ZINC000636320875 565107216 /nfs/dbraw/zinc/10/72/16/565107216.db2.gz UNDRQIFSOWJANU-UHFFFAOYSA-N -2 3 378.226 2.848 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])CCCC1 ZINC000589542970 565165536 /nfs/dbraw/zinc/16/55/36/565165536.db2.gz SDVSWSUHPILSPG-UHFFFAOYSA-N -2 3 389.857 2.822 20 0 GFADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000663293080 565407242 /nfs/dbraw/zinc/40/72/42/565407242.db2.gz ABJAWUQXFATVTF-ZETCQYMHSA-N -2 3 377.743 2.801 20 0 GFADHL CC(C)(C)OCc1cccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000645961852 565579340 /nfs/dbraw/zinc/57/93/40/565579340.db2.gz DMBMCWBRSJUBCR-UHFFFAOYSA-N -2 3 384.479 2.635 20 0 GFADHL C[C@]1([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCCC[C@H]1C(=O)[O-] ZINC000646039545 565584119 /nfs/dbraw/zinc/58/41/19/565584119.db2.gz UBJWROKWCVHEJU-BONVTDFDSA-N -2 3 381.372 2.739 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(c2ccccc2F)CCC1 ZINC000646060526 565585005 /nfs/dbraw/zinc/58/50/05/565585005.db2.gz VWFPVOPZKPUNDR-UHFFFAOYSA-N -2 3 385.438 2.952 20 0 GFADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000650412797 565818071 /nfs/dbraw/zinc/81/80/71/565818071.db2.gz FIMJZJIGUOZZNK-IONNQARKSA-N -2 3 385.747 2.546 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)CC1CC1 ZINC000650429942 565820358 /nfs/dbraw/zinc/82/03/58/565820358.db2.gz AGYPJKWVDILURR-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000650447475 565822409 /nfs/dbraw/zinc/82/24/09/565822409.db2.gz HVUXVVWEZGYXBJ-UHFFFAOYSA-N -2 3 375.324 2.964 20 0 GFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@H](C[C@@H]3CCCOC3)C(=O)[O-])sc21 ZINC000629338948 565845868 /nfs/dbraw/zinc/84/58/68/565845868.db2.gz CJQBJRPGDTZRFU-GXTWGEPZSA-N -2 3 383.491 2.758 20 0 GFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@@H](C[C@H]3CCCOC3)C(=O)[O-])sc21 ZINC000629338950 565846172 /nfs/dbraw/zinc/84/61/72/565846172.db2.gz CJQBJRPGDTZRFU-OCCSQVGLSA-N -2 3 383.491 2.758 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000681568103 566113000 /nfs/dbraw/zinc/11/30/00/566113000.db2.gz IGMZGFYDHWJVDR-LLVKDONJSA-N -2 3 394.396 2.883 20 0 GFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)C(=O)[O-])c1Cl ZINC000681570768 566113023 /nfs/dbraw/zinc/11/30/23/566113023.db2.gz NCMWCYRSASQHTN-CMPLNLGQSA-N -2 3 396.292 2.768 20 0 GFADHL CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736423101 598855789 /nfs/dbraw/zinc/85/57/89/598855789.db2.gz QYOXVNKVFJXDHD-OAHLLOKOSA-N -2 3 391.497 2.668 20 0 GFADHL CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736423101 598855790 /nfs/dbraw/zinc/85/57/90/598855790.db2.gz QYOXVNKVFJXDHD-OAHLLOKOSA-N -2 3 391.497 2.668 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000737300595 598931853 /nfs/dbraw/zinc/93/18/53/598931853.db2.gz CQYUKMBOVPOONF-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cccc1-c1nn[n-]n1 ZINC000822123268 607254996 /nfs/dbraw/zinc/25/49/96/607254996.db2.gz XXINUAOLKBUTFJ-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000737226266 599030253 /nfs/dbraw/zinc/03/02/53/599030253.db2.gz SGPUKEQIZAIZQQ-UHFFFAOYSA-N -2 3 378.464 2.647 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(C)c1CC(=O)[O-] ZINC000272771756 597716907 /nfs/dbraw/zinc/71/69/07/597716907.db2.gz UQYWRRUXGDWNTP-UHFFFAOYSA-N -3 3 391.445 2.667 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736446204 598536015 /nfs/dbraw/zinc/53/60/15/598536015.db2.gz ODUDMFMRGXNMSW-CQSZACIVSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736446204 598536017 /nfs/dbraw/zinc/53/60/17/598536017.db2.gz ODUDMFMRGXNMSW-CQSZACIVSA-N -2 3 393.513 2.809 20 0 GFADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000740123152 599724567 /nfs/dbraw/zinc/72/45/67/599724567.db2.gz AQRAUCYCLXTOLH-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCc2cccc(C(F)(F)F)c2)o1 ZINC000740175768 599774894 /nfs/dbraw/zinc/77/48/94/599774894.db2.gz YGAQBJZOFPMDOS-UHFFFAOYSA-N -2 3 377.340 2.908 20 0 GFADHL COc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c([O-])c1 ZINC000737922003 599836970 /nfs/dbraw/zinc/83/69/70/599836970.db2.gz FJKFOLGXSNOSNK-QGZVFWFLSA-N -2 3 394.221 2.893 20 0 GFADHL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(C)C ZINC000265297222 600253434 /nfs/dbraw/zinc/25/34/34/600253434.db2.gz WUZRLIIXGXTAMS-UHFFFAOYSA-N -2 3 390.461 2.943 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737820283 600299535 /nfs/dbraw/zinc/29/95/35/600299535.db2.gz GAPSJHLQNYLNGO-UHFFFAOYSA-N -2 3 394.449 2.622 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1OC ZINC000738063698 600489126 /nfs/dbraw/zinc/48/91/26/600489126.db2.gz FXUXVJYYQMFZAE-UHFFFAOYSA-N -2 3 395.433 2.748 20 0 GFADHL COc1ccc(-c2cc3[n-]c(CN(C)C[C@@H](C)C(=O)[O-])nc(=O)c3s2)cc1 ZINC000737909428 600506983 /nfs/dbraw/zinc/50/69/83/600506983.db2.gz IFSLWCVAZNEVPP-LLVKDONJSA-N -2 3 387.461 2.813 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000497955081 600564490 /nfs/dbraw/zinc/56/44/90/600564490.db2.gz GIVXZYBHRVMBJV-UHFFFAOYSA-N -2 3 377.418 2.740 20 0 GFADHL CCOC(=O)c1sc2[n-]c([C@@H](C)SC[C@@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000737156541 600606872 /nfs/dbraw/zinc/60/68/72/600606872.db2.gz KZBJWJIJVVFLFE-VXNVDRBHSA-N -2 3 384.479 2.985 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C1CC1 ZINC000736603915 600633586 /nfs/dbraw/zinc/63/35/86/600633586.db2.gz DIVSOPAVBWPIKJ-ZETCQYMHSA-N -2 3 380.235 2.611 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000832912098 600724348 /nfs/dbraw/zinc/72/43/48/600724348.db2.gz VADGDCCPYOWAPT-MRXNPFEDSA-N -2 3 398.459 2.570 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000506722075 600889808 /nfs/dbraw/zinc/88/98/08/600889808.db2.gz NFFKVFBZQFUFLH-UHFFFAOYSA-N -2 3 383.397 2.658 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1C(=O)[O-] ZINC000566179478 601215097 /nfs/dbraw/zinc/21/50/97/601215097.db2.gz OYBUGKVNWURYQN-QGZVFWFLSA-N -2 3 395.433 2.733 20 0 GFADHL CN(CCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000830773062 601232632 /nfs/dbraw/zinc/23/26/32/601232632.db2.gz OWBQLICENFPESL-UHFFFAOYSA-N -2 3 398.431 2.858 20 0 GFADHL COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832292701 601232865 /nfs/dbraw/zinc/23/28/65/601232865.db2.gz NUWJCHMYESLOEK-LLVKDONJSA-N -2 3 399.415 2.971 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc3C2)c1F ZINC000833294387 601237758 /nfs/dbraw/zinc/23/77/58/601237758.db2.gz RNMUSDLSFUDAIB-NSHDSACASA-N -2 3 381.400 2.746 20 0 GFADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C2CC2)n1 ZINC000832988716 601238546 /nfs/dbraw/zinc/23/85/46/601238546.db2.gz DYNNSXQSBGZQLW-ZDUSSCGKSA-N -2 3 388.417 2.858 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)c1F ZINC000833294901 601238801 /nfs/dbraw/zinc/23/88/01/601238801.db2.gz YYRZRDPVZGPRIS-UHFFFAOYSA-N -2 3 385.363 2.812 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)ccc1F ZINC000738678375 601329035 /nfs/dbraw/zinc/32/90/35/601329035.db2.gz IRKHZSCDCJPJLB-UHFFFAOYSA-N -2 3 396.787 2.559 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)ccc1F ZINC000325007371 601332017 /nfs/dbraw/zinc/33/20/17/601332017.db2.gz YMJXMBGOGHFHNA-UHFFFAOYSA-N -2 3 387.801 2.983 20 0 GFADHL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000833345223 601383358 /nfs/dbraw/zinc/38/33/58/601383358.db2.gz SRZYQCYDDPXDPV-UHFFFAOYSA-N -2 3 391.630 2.997 20 0 GFADHL O=C([O-])C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000833265180 601408842 /nfs/dbraw/zinc/40/88/42/601408842.db2.gz WHFCBHAEUVPLQE-AWEZNQCLSA-N -2 3 387.779 2.561 20 0 GFADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000833206144 601443750 /nfs/dbraw/zinc/44/37/50/601443750.db2.gz OOZFXFKJCJRPLL-UHFFFAOYSA-N -2 3 382.663 2.778 20 0 GFADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000237041484 601462685 /nfs/dbraw/zinc/46/26/85/601462685.db2.gz FAXZSMPEDFVGNG-INIZCTEOSA-N -2 3 381.226 2.664 20 0 GFADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)C2CC2)s1 ZINC000185067669 601580396 /nfs/dbraw/zinc/58/03/96/601580396.db2.gz ZHHFQGJGSNSREK-CYBMUJFWSA-N -2 3 388.417 2.858 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1C(=O)[O-] ZINC000833028717 601800461 /nfs/dbraw/zinc/80/04/61/601800461.db2.gz PAAILTUNGWIIOI-NSHDSACASA-N -2 3 389.433 2.820 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1-c1nnn[n-]1 ZINC000826303718 607532297 /nfs/dbraw/zinc/53/22/97/607532297.db2.gz BGYNUDNOKOKSAV-UHFFFAOYSA-N -2 3 398.492 2.966 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1-c1nn[n-]n1 ZINC000826303718 607532298 /nfs/dbraw/zinc/53/22/98/607532298.db2.gz BGYNUDNOKOKSAV-UHFFFAOYSA-N -2 3 398.492 2.966 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000832955866 602064861 /nfs/dbraw/zinc/06/48/61/602064861.db2.gz OZVYVIYGENPUQZ-ZDUSSCGKSA-N -2 3 376.434 2.845 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](NC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000740262886 602390578 /nfs/dbraw/zinc/39/05/78/602390578.db2.gz BFJFHOOULTVMMX-OAHLLOKOSA-N -2 3 381.454 2.702 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CCC(N(C)C(=O)[O-])CC3)cc2)cc(=O)[n-]1 ZINC000738334998 602541021 /nfs/dbraw/zinc/54/10/21/602541021.db2.gz KICPEFOJMCNUEB-UHFFFAOYSA-N -2 3 385.424 2.764 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740206212 602552928 /nfs/dbraw/zinc/55/29/28/602552928.db2.gz CTTKQFAVAOHYIZ-ZDUSSCGKSA-N -2 3 385.424 2.621 20 0 GFADHL CC(C)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833502281 604700747 /nfs/dbraw/zinc/70/07/47/604700747.db2.gz KYFBDDPSSLOMLK-UHFFFAOYSA-N -2 3 398.824 2.799 20 0 GFADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccccc3c(=O)n2CCC(=O)[O-])n1 ZINC000832900084 604710691 /nfs/dbraw/zinc/71/06/91/604710691.db2.gz XVEFQWOQWDEAIT-LLVKDONJSA-N -2 3 386.433 2.529 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)c1 ZINC000833733246 605240694 /nfs/dbraw/zinc/24/06/94/605240694.db2.gz DYBWEUPHQWVFCL-UHFFFAOYSA-N -3 3 383.447 2.768 20 0 GFADHL C[C@]1(C(=O)[O-])CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000833554155 605718603 /nfs/dbraw/zinc/71/86/03/605718603.db2.gz QRFUAGILHMUMCN-AVRDEDQJSA-N -2 3 396.443 2.577 20 0 GFADHL O=C([O-])N1CCSC[C@@H]1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000831415277 605882419 /nfs/dbraw/zinc/88/24/19/605882419.db2.gz YXRGCBNSTLELAL-VIFPVBQESA-N -2 3 375.244 2.579 20 0 GFADHL Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnc(NC(=O)[O-])cn3)nc(=O)c2c1C ZINC000833934677 606009319 /nfs/dbraw/zinc/00/93/19/606009319.db2.gz BFPPZRVQFZOGJE-SSDOTTSWSA-N -2 3 389.393 2.812 20 0 GFADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1c(Cl)cccc1Cl ZINC000823583152 606212337 /nfs/dbraw/zinc/21/23/37/606212337.db2.gz JBUURKCRKCEMHI-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000823589052 606636950 /nfs/dbraw/zinc/63/69/50/606636950.db2.gz KEBSSKZERGWWED-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000822035644 606751062 /nfs/dbraw/zinc/75/10/62/606751062.db2.gz XXAARCVOPCYXPL-UHFFFAOYSA-N -2 3 392.872 2.695 20 0 GFADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000821589606 606752267 /nfs/dbraw/zinc/75/22/67/606752267.db2.gz VQAPZJPJWCBVNH-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1-c1ncco1 ZINC000822258915 607002620 /nfs/dbraw/zinc/00/26/20/607002620.db2.gz HJXKQBBBPAUSCV-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821127555 607112703 /nfs/dbraw/zinc/11/27/03/607112703.db2.gz ITRMTYPYJLHARN-UHFFFAOYSA-N -2 3 391.428 2.904 20 0 GFADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825061805 608142581 /nfs/dbraw/zinc/14/25/81/608142581.db2.gz YVDAFFOPBVWHDZ-LBPRGKRZSA-N -2 3 379.486 2.587 20 0 GFADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825061805 608142582 /nfs/dbraw/zinc/14/25/82/608142582.db2.gz YVDAFFOPBVWHDZ-LBPRGKRZSA-N -2 3 379.486 2.587 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(O)c1 ZINC000826291849 608886827 /nfs/dbraw/zinc/88/68/27/608886827.db2.gz YWGVKAIRZPVVEZ-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(O)c1 ZINC000826291849 608886830 /nfs/dbraw/zinc/88/68/30/608886830.db2.gz YWGVKAIRZPVVEZ-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1c([O-])cccc1Cl ZINC000826458294 609314175 /nfs/dbraw/zinc/31/41/75/609314175.db2.gz KOVMPIMRNNUXNE-UHFFFAOYSA-N -2 3 399.773 2.803 20 0 GFADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1c([O-])cccc1Cl ZINC000826458294 609314176 /nfs/dbraw/zinc/31/41/76/609314176.db2.gz KOVMPIMRNNUXNE-UHFFFAOYSA-N -2 3 399.773 2.803 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnc2ccsc2c1 ZINC000826492543 609338695 /nfs/dbraw/zinc/33/86/95/609338695.db2.gz PVKCURZGHADUIJ-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826492863 609460741 /nfs/dbraw/zinc/46/07/41/609460741.db2.gz IREOJDMPMLTTCA-UHFFFAOYSA-N -2 3 390.856 2.595 20 0 GFADHL O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826492863 609460743 /nfs/dbraw/zinc/46/07/43/609460743.db2.gz IREOJDMPMLTTCA-UHFFFAOYSA-N -2 3 390.856 2.595 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000826268204 660452155 /nfs/dbraw/zinc/45/21/55/660452155.db2.gz OBTLJPVCIAWQKC-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837294370 660984189 /nfs/dbraw/zinc/98/41/89/660984189.db2.gz UJTABSUVUPNLJE-QMMMGPOBSA-N -2 3 399.694 2.523 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])c(Cl)cc1Cl ZINC000275022842 655211669 /nfs/dbraw/zinc/21/16/69/655211669.db2.gz OWWNQRZNSJNUAV-MRVPVSSYSA-N -2 3 398.264 2.559 20 0 GFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000189413915 655386354 /nfs/dbraw/zinc/38/63/54/655386354.db2.gz MNKJOIIXKDPFHD-RKDXNWHRSA-N -2 3 380.260 2.987 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000574234384 655426945 /nfs/dbraw/zinc/42/69/45/655426945.db2.gz OYIKGDCZQWUXNY-PWSUYJOCSA-N -2 3 386.882 2.995 20 0 GFADHL COC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccc(Cl)cc1 ZINC000579588082 655501749 /nfs/dbraw/zinc/50/17/49/655501749.db2.gz WBJZNBVTNKPAHQ-CYBMUJFWSA-N -2 3 387.841 2.914 20 0 GFADHL COC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccc(Cl)cc1 ZINC000579588083 655501909 /nfs/dbraw/zinc/50/19/09/655501909.db2.gz WBJZNBVTNKPAHQ-ZDUSSCGKSA-N -2 3 387.841 2.914 20 0 GFADHL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000731902898 655589074 /nfs/dbraw/zinc/58/90/74/655589074.db2.gz PFYOAMPQZCFRDY-UHFFFAOYSA-N -2 3 377.340 2.859 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000748639162 655793203 /nfs/dbraw/zinc/79/32/03/655793203.db2.gz AEJZQCTXEHCXCP-UHFFFAOYSA-N -2 3 380.491 2.738 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)s1 ZINC000761265242 656006556 /nfs/dbraw/zinc/00/65/56/656006556.db2.gz RVXQMAIRESRVNA-MRVPVSSYSA-N -2 3 380.285 2.843 20 0 GFADHL CC1(C)CC(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000780176784 656989771 /nfs/dbraw/zinc/98/97/71/656989771.db2.gz SFIXXHHCKRLULS-UHFFFAOYSA-N -2 3 382.301 2.923 20 0 GFADHL C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000809151388 659918592 /nfs/dbraw/zinc/91/85/92/659918592.db2.gz XUYDHHFKDVNPLC-GLEZIHRCSA-N -2 3 385.800 2.978 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C2CC3(CCC3)C2)s1 ZINC000844901316 661448315 /nfs/dbraw/zinc/44/83/15/661448315.db2.gz GMRPQLXJCLAYHN-UHFFFAOYSA-N -2 3 380.285 2.820 20 0 GFADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000849457440 661728867 /nfs/dbraw/zinc/72/88/67/661728867.db2.gz FKJLMQHWPDVRHH-SCZZXKLOSA-N -2 3 381.281 2.946 20 0 GFADHL C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871803806 662734487 /nfs/dbraw/zinc/73/44/87/662734487.db2.gz TUYCFNJLKMPQMG-ZETCQYMHSA-N -2 3 394.268 2.711 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)CCS2 ZINC000899948635 663703691 /nfs/dbraw/zinc/70/36/91/663703691.db2.gz HGYYHXRIFXGYKX-UQACVICXSA-N -2 3 393.889 2.886 20 0 GFADHL CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000908022950 664077998 /nfs/dbraw/zinc/07/79/98/664077998.db2.gz DRPGLWUNAIJNTP-AWEZNQCLSA-N -2 3 395.253 2.910 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCOc2ccc3ccccc3c2)c1 ZINC000013314071 551109016 /nfs/dbraw/zinc/10/90/16/551109016.db2.gz NNDYZUVOQSHAFC-UHFFFAOYSA-N -2 3 377.443 2.957 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000097063882 551196192 /nfs/dbraw/zinc/19/61/92/551196192.db2.gz QGYZJGBHRCTOAL-APPZFPTMSA-N -2 3 382.663 2.634 20 0 GFADHL CC(C)CC1(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCC1 ZINC000152425968 551432768 /nfs/dbraw/zinc/43/27/68/551432768.db2.gz YULHDFISHVAHKX-UHFFFAOYSA-N -2 3 392.518 2.692 20 0 GFADHL CCOC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n[n-]1 ZINC000182006346 552272804 /nfs/dbraw/zinc/27/28/04/552272804.db2.gz LCMKVBPDNXKLGK-UHFFFAOYSA-N -2 3 377.344 2.547 20 0 GFADHL Cn1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cc1C(=O)[O-] ZINC000190072440 552486636 /nfs/dbraw/zinc/48/66/36/552486636.db2.gz MQJKQDOZPJJIRM-UHFFFAOYSA-N -2 3 395.181 2.565 20 0 GFADHL CC[C@H](CS(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1)OC ZINC000421165784 563298848 /nfs/dbraw/zinc/29/88/48/563298848.db2.gz NQYIYPVHFDOZRO-SNVBAGLBSA-N -2 3 380.260 2.622 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-] ZINC000314805016 563440298 /nfs/dbraw/zinc/44/02/98/563440298.db2.gz MHZRQDQERTUIKG-LLVKDONJSA-N -2 3 394.287 2.625 20 0 GFADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000283791171 563454647 /nfs/dbraw/zinc/45/46/47/563454647.db2.gz ABFDVKIRIKMGKC-SKDRFNHKSA-N -2 3 383.388 2.641 20 0 GFADHL NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000327148230 563457491 /nfs/dbraw/zinc/45/74/91/563457491.db2.gz XHCZGQBIRNWEMV-UHFFFAOYSA-N -2 3 389.216 2.591 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000327685888 563459326 /nfs/dbraw/zinc/45/93/26/563459326.db2.gz PRKAKRFZOANUGD-UHFFFAOYSA-N -2 3 385.825 2.864 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CCC1 ZINC000399273719 563533681 /nfs/dbraw/zinc/53/36/81/563533681.db2.gz RCCVLYFUFHHZPG-LLVKDONJSA-N -2 3 382.663 2.634 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000401546802 563534985 /nfs/dbraw/zinc/53/49/85/563534985.db2.gz FHEVNNLNBWJCJF-NSHDSACASA-N -2 3 382.251 2.756 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1 ZINC000436814291 563680249 /nfs/dbraw/zinc/68/02/49/563680249.db2.gz KFAJJOXZDGWNKV-UHFFFAOYSA-N -3 3 377.296 2.632 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000438749624 563709397 /nfs/dbraw/zinc/70/93/97/563709397.db2.gz CTQLZURSMRRCEC-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000438749624 563709398 /nfs/dbraw/zinc/70/93/98/563709398.db2.gz CTQLZURSMRRCEC-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL COC(C)(C)CS(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000414383605 563732133 /nfs/dbraw/zinc/73/21/33/563732133.db2.gz NOYXHMJRAODIFS-UHFFFAOYSA-N -2 3 380.260 2.622 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2c(F)cccc2N2CCCC2)c1 ZINC000505810316 564191077 /nfs/dbraw/zinc/19/10/77/564191077.db2.gz YSXKMLVTPXKMMR-UHFFFAOYSA-N -2 3 384.454 2.664 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(c2nc(C)cs2)CCC1 ZINC000564924217 564257100 /nfs/dbraw/zinc/25/71/00/564257100.db2.gz XRDGYVDAKGDSPE-UHFFFAOYSA-N -2 3 388.492 2.578 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000565407395 564280170 /nfs/dbraw/zinc/28/01/70/564280170.db2.gz ZXOFBEUGSSNSMA-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000565655856 564289832 /nfs/dbraw/zinc/28/98/32/564289832.db2.gz ZALILSJWCZFIJX-UHFFFAOYSA-N -2 3 389.886 2.666 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC=C(C)C)c(F)c1 ZINC000451449891 564314081 /nfs/dbraw/zinc/31/40/81/564314081.db2.gz AENTTWQBOLCFSF-UHFFFAOYSA-N -2 3 378.491 2.612 20 0 GFADHL C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000566173686 564314643 /nfs/dbraw/zinc/31/46/43/564314643.db2.gz OIKIJUPVGUAQFM-VIFPVBQESA-N -2 3 377.340 2.906 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC(C)(C)CC)c(F)c1 ZINC000451469629 564317270 /nfs/dbraw/zinc/31/72/70/564317270.db2.gz UOIVVFUHLKKBHS-UHFFFAOYSA-N -2 3 380.507 2.692 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543769058 564363032 /nfs/dbraw/zinc/36/30/32/564363032.db2.gz DLAYSKNZYAKGAS-GXFFZTMASA-N -2 3 380.235 2.510 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cc1C(=O)[O-] ZINC000543784193 564363676 /nfs/dbraw/zinc/36/36/76/564363676.db2.gz HHZFMMRUUFSWMT-QMMMGPOBSA-N -2 3 385.825 2.742 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](c1ncc(C)s1)C1CC1 ZINC000567498199 564374660 /nfs/dbraw/zinc/37/46/60/564374660.db2.gz JLXPTWYSEIAGSN-NSHDSACASA-N -2 3 388.492 2.649 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@@H]1CCC[C@H](C)C1 ZINC000452087268 564389454 /nfs/dbraw/zinc/38/94/54/564389454.db2.gz NWKDVDIZFWFFAF-RWMBFGLXSA-N -2 3 392.518 2.690 20 0 GFADHL O=C([O-])c1csc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 ZINC000568944132 564441756 /nfs/dbraw/zinc/44/17/56/564441756.db2.gz USDXSQPHZUIRIQ-UHFFFAOYSA-N -2 3 386.476 2.545 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br)CC(=O)[O-] ZINC000569108358 564449421 /nfs/dbraw/zinc/44/94/21/564449421.db2.gz MFCJNGOGGWDHNM-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000515114783 564469758 /nfs/dbraw/zinc/46/97/58/564469758.db2.gz AWCIAVKYRZURSX-CYBMUJFWSA-N -2 3 390.244 2.673 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000569694495 564475114 /nfs/dbraw/zinc/47/51/14/564475114.db2.gz WOQSXJRSNHVLFG-APPZFPTMSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000516040528 564491634 /nfs/dbraw/zinc/49/16/34/564491634.db2.gz JZYKBZMBMVIXTP-VIFPVBQESA-N -2 3 385.335 2.646 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2Cl)C(=O)[O-])s1 ZINC000547548593 564493437 /nfs/dbraw/zinc/49/34/37/564493437.db2.gz KXFFLRDVCUMADT-GFCCVEGCSA-N -2 3 388.898 2.635 20 0 GFADHL O=C([O-])[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547565286 564494937 /nfs/dbraw/zinc/49/49/37/564494937.db2.gz LHXXDWJYMAXTTI-SNVBAGLBSA-N -2 3 391.829 2.545 20 0 GFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000547579011 564497298 /nfs/dbraw/zinc/49/72/98/564497298.db2.gz DEZZLAKOXZINRX-NSHDSACASA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCC1 ZINC000547579714 564497314 /nfs/dbraw/zinc/49/73/14/564497314.db2.gz SKOSBXRRQNVHAS-LLVKDONJSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)Cc1ccccc1Cl ZINC000570378591 564502846 /nfs/dbraw/zinc/50/28/46/564502846.db2.gz HSVBWDZCCDBGGW-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)CC(=O)[O-] ZINC000547877683 564515477 /nfs/dbraw/zinc/51/54/77/564515477.db2.gz QHNJEBZFYGNEQP-QMMMGPOBSA-N -2 3 384.317 2.926 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC1 ZINC000547900660 564518406 /nfs/dbraw/zinc/51/84/06/564518406.db2.gz YSVMANWCVNOGRW-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000570777176 564520313 /nfs/dbraw/zinc/52/03/13/564520313.db2.gz OQZZSSGBDMFAMU-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1c(F)cccc1F ZINC000548265770 564545404 /nfs/dbraw/zinc/54/54/04/564545404.db2.gz JJJMPQNBGFBGDX-CQSZACIVSA-N -2 3 384.385 2.679 20 0 GFADHL Cc1ncc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c(=O)[n-]1 ZINC000571479573 564553554 /nfs/dbraw/zinc/55/35/54/564553554.db2.gz PQAZJTAHUNRATI-UHFFFAOYSA-N -2 3 396.881 2.746 20 0 GFADHL CCCSC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000548581796 564563832 /nfs/dbraw/zinc/56/38/32/564563832.db2.gz PHDVNJJIKWFSRZ-JTQLQIEISA-N -2 3 389.392 2.719 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000571755745 564565324 /nfs/dbraw/zinc/56/53/24/564565324.db2.gz NCUIDTPNTNJATH-QPUJVOFHSA-N -2 3 382.251 2.612 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(F)(F)F ZINC000572958474 564617362 /nfs/dbraw/zinc/61/73/62/564617362.db2.gz FGTGGSLKOHACGM-ZETCQYMHSA-N -2 3 377.743 2.552 20 0 GFADHL CCc1nc([C@H](C)[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cs1 ZINC000572997782 564618831 /nfs/dbraw/zinc/61/88/31/564618831.db2.gz ORJZDTFGKBXZIO-ZETCQYMHSA-N -2 3 376.481 2.513 20 0 GFADHL Cc1cc(CS(=O)(=O)[N-]c2cc(Br)c(C)c(C(=O)[O-])c2)on1 ZINC000521078704 564619007 /nfs/dbraw/zinc/61/90/07/564619007.db2.gz AZLGOLQFMHIXSH-UHFFFAOYSA-N -2 3 389.227 2.694 20 0 GFADHL C[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H]1C(=O)[O-] ZINC000521610793 564631098 /nfs/dbraw/zinc/63/10/98/564631098.db2.gz SMCASMDWYHNVDQ-VFZGTOFNSA-N -2 3 393.237 2.616 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000574573347 564679883 /nfs/dbraw/zinc/67/98/83/564679883.db2.gz IJTPYKDOWHFPFO-AWEZNQCLSA-N -2 3 387.816 2.982 20 0 GFADHL CC1([C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C(=O)[O-])CCCCC1 ZINC000576682402 564717601 /nfs/dbraw/zinc/71/76/01/564717601.db2.gz MMPRMOJNVKBNKM-GFCCVEGCSA-N -2 3 380.388 2.802 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)CC(=O)[O-] ZINC000527052069 564727943 /nfs/dbraw/zinc/72/79/43/564727943.db2.gz FESWQTFOIJTSBN-VXGBXAGGSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000527199823 564733838 /nfs/dbraw/zinc/73/38/38/564733838.db2.gz MTZOBGYQLRGKLQ-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000579349394 564747019 /nfs/dbraw/zinc/74/70/19/564747019.db2.gz KHTCDHQZJHYDOE-MRVPVSSYSA-N -2 3 394.396 2.770 20 0 GFADHL CC1([C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C(=O)[O-])CCCCC1 ZINC000554532720 564764570 /nfs/dbraw/zinc/76/45/70/564764570.db2.gz YRNYNNXJQOZWQU-LBPRGKRZSA-N -2 3 380.388 2.802 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000581109706 564788914 /nfs/dbraw/zinc/78/89/14/564788914.db2.gz UMSSDBOPIOZDOW-LLVKDONJSA-N -2 3 394.396 2.965 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000556346004 564819577 /nfs/dbraw/zinc/81/95/77/564819577.db2.gz BYTBBXKYBQKOMW-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL CCc1cc(=O)[n-]c(CN(CCC(=O)[O-])Cc2cccc(Br)c2)n1 ZINC000581830052 564819946 /nfs/dbraw/zinc/81/99/46/564819946.db2.gz XHYPQOBFPNZHKT-UHFFFAOYSA-N -2 3 394.269 2.984 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C3CC3)s2)cs1 ZINC000558683604 564910300 /nfs/dbraw/zinc/91/03/00/564910300.db2.gz SWZYGZFRGFPLLX-CLAHSXSESA-N -2 3 386.520 2.958 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(F)(F)F ZINC000583887611 564911963 /nfs/dbraw/zinc/91/19/63/564911963.db2.gz HEYUTLFRCBHYKB-MRVPVSSYSA-N -2 3 377.743 2.552 20 0 GFADHL CSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)[n-]1 ZINC000499075965 564917777 /nfs/dbraw/zinc/91/77/77/564917777.db2.gz OJEFHHRBRCBGCY-UHFFFAOYSA-N -2 3 395.491 2.641 20 0 GFADHL CSc1n[n-]c(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)n1 ZINC000499075965 564917782 /nfs/dbraw/zinc/91/77/82/564917782.db2.gz OJEFHHRBRCBGCY-UHFFFAOYSA-N -2 3 395.491 2.641 20 0 GFADHL CSc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)n[n-]1 ZINC000499075965 564917786 /nfs/dbraw/zinc/91/77/86/564917786.db2.gz OJEFHHRBRCBGCY-UHFFFAOYSA-N -2 3 395.491 2.641 20 0 GFADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)(C(=O)[O-])C1(C)C ZINC000562388161 565027609 /nfs/dbraw/zinc/02/76/09/565027609.db2.gz YXZYKIWHLLUDPF-SWLSCSKDSA-N -2 3 396.292 2.930 20 0 GFADHL Cc1nc(C=Cc2cc(Br)cc3c2OCC3)[n-]c(=O)c1CC(=O)[O-] ZINC000504732389 565043736 /nfs/dbraw/zinc/04/37/36/565043736.db2.gz RHHMEBNUZQYBEV-IHWYPQMZSA-N -2 3 391.221 2.986 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000562936093 565048445 /nfs/dbraw/zinc/04/84/45/565048445.db2.gz FEEARUVHTZLPAS-LBPRGKRZSA-N -2 3 382.265 2.542 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c[n-]1 ZINC000585730818 565107900 /nfs/dbraw/zinc/10/79/00/565107900.db2.gz DFJUKOCESJUMEC-UHFFFAOYSA-N -2 3 378.435 2.511 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)[n-]1 ZINC000585730818 565107907 /nfs/dbraw/zinc/10/79/07/565107907.db2.gz DFJUKOCESJUMEC-UHFFFAOYSA-N -2 3 378.435 2.511 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CC1 ZINC000645952918 565577795 /nfs/dbraw/zinc/57/77/95/565577795.db2.gz YTYGAIRNEAREJP-UHFFFAOYSA-N -2 3 385.438 2.604 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])C1CCOCC1 ZINC000647127403 565639154 /nfs/dbraw/zinc/63/91/54/565639154.db2.gz MLEMOERYMVTVKL-CQSZACIVSA-N -2 3 383.388 2.594 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-])C(C)C ZINC000647130407 565640400 /nfs/dbraw/zinc/64/04/00/565640400.db2.gz YRQZHABAPSWKJS-AWEZNQCLSA-N -2 3 375.512 2.975 20 0 GFADHL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000672775090 565816240 /nfs/dbraw/zinc/81/62/40/565816240.db2.gz PUORRPNQSNNSMM-LLVKDONJSA-N -2 3 398.225 2.922 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H](CC3CC3)C(=O)[O-])s2)cs1 ZINC000650431581 565821170 /nfs/dbraw/zinc/82/11/70/565821170.db2.gz WOMYZBGMAXRLPE-LLVKDONJSA-N -2 3 386.520 2.959 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)CC1CC1 ZINC000650431578 565821324 /nfs/dbraw/zinc/82/13/24/565821324.db2.gz WMWVZFYMYKWBKP-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL CC1(C)C[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])c2cc(F)ccc2O1 ZINC000650443543 565822533 /nfs/dbraw/zinc/82/25/33/565822533.db2.gz GADLQTLJLVJTMV-JTQLQIEISA-N -2 3 386.426 2.561 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000681573537 566113316 /nfs/dbraw/zinc/11/33/16/566113316.db2.gz YFKJJWRDMTZOHE-GFCCVEGCSA-N -2 3 388.898 2.950 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@]1(CC(=O)[O-])CC[C@H](C)C1 ZINC000683729385 566211433 /nfs/dbraw/zinc/21/14/33/566211433.db2.gz KTYIXWJESDRXSN-MEDUHNTESA-N -2 3 375.874 2.908 20 0 GFADHL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736491216 598842726 /nfs/dbraw/zinc/84/27/26/598842726.db2.gz UVLZCICWROAPAR-UHFFFAOYSA-N -2 3 391.428 2.904 20 0 GFADHL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736491216 598842727 /nfs/dbraw/zinc/84/27/27/598842727.db2.gz UVLZCICWROAPAR-UHFFFAOYSA-N -2 3 391.428 2.904 20 0 GFADHL O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341062 598845644 /nfs/dbraw/zinc/84/56/44/598845644.db2.gz DHEOHOBISYZDFP-UHFFFAOYSA-N -2 3 389.412 2.595 20 0 GFADHL O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341062 598845646 /nfs/dbraw/zinc/84/56/46/598845646.db2.gz DHEOHOBISYZDFP-UHFFFAOYSA-N -2 3 389.412 2.595 20 0 GFADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000736778946 598909987 /nfs/dbraw/zinc/90/99/87/598909987.db2.gz IWKAGZMQRLPLBU-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000736778946 598909989 /nfs/dbraw/zinc/90/99/89/598909989.db2.gz IWKAGZMQRLPLBU-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736350868 598924413 /nfs/dbraw/zinc/92/44/13/598924413.db2.gz OHRORJDXHAKMNZ-AWEZNQCLSA-N -2 3 391.497 2.668 20 0 GFADHL CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736350868 598924415 /nfs/dbraw/zinc/92/44/15/598924415.db2.gz OHRORJDXHAKMNZ-AWEZNQCLSA-N -2 3 391.497 2.668 20 0 GFADHL Cc1c([N-]S(=O)(=O)c2ccccc2Br)cccc1-c1nn[n-]n1 ZINC000822130630 607255400 /nfs/dbraw/zinc/25/54/00/607255400.db2.gz XTGGGXIOQUVNIP-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000737301693 598969282 /nfs/dbraw/zinc/96/92/82/598969282.db2.gz QSLFLFZQRUPNJW-ZDUSSCGKSA-N -2 3 389.485 2.780 20 0 GFADHL Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)cc21 ZINC000737613418 599237318 /nfs/dbraw/zinc/23/73/18/599237318.db2.gz OAMYXCXBPYXQKG-UHFFFAOYSA-N -2 3 388.840 2.813 20 0 GFADHL Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)c(Cl)c3)cc21 ZINC000737613418 599237319 /nfs/dbraw/zinc/23/73/19/599237319.db2.gz OAMYXCXBPYXQKG-UHFFFAOYSA-N -2 3 388.840 2.813 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736447802 598536062 /nfs/dbraw/zinc/53/60/62/598536062.db2.gz UMFMBBVFPDQSLM-CYBMUJFWSA-N -2 3 379.486 2.668 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736447802 598536063 /nfs/dbraw/zinc/53/60/63/598536063.db2.gz UMFMBBVFPDQSLM-CYBMUJFWSA-N -2 3 379.486 2.668 20 0 GFADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737271962 598548782 /nfs/dbraw/zinc/54/87/82/598548782.db2.gz ZWMIPQDPIXYFKG-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000736635031 598663020 /nfs/dbraw/zinc/66/30/20/598663020.db2.gz REDDWFAFTGZVNP-UHFFFAOYSA-N -2 3 397.819 2.859 20 0 GFADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)on1 ZINC000735648343 599323008 /nfs/dbraw/zinc/32/30/08/599323008.db2.gz QOZBXGBZCSETGG-UHFFFAOYSA-N -2 3 382.833 2.606 20 0 GFADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)on1 ZINC000735648343 599323010 /nfs/dbraw/zinc/32/30/10/599323010.db2.gz QOZBXGBZCSETGG-UHFFFAOYSA-N -2 3 382.833 2.606 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2Cl)o1 ZINC000740176644 599774871 /nfs/dbraw/zinc/77/48/71/599774871.db2.gz MXZCVVPIZPWMHY-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2C(=O)[O-])ccc1F ZINC000736477884 599843861 /nfs/dbraw/zinc/84/38/61/599843861.db2.gz OIYIBYSFGWDWIT-UHFFFAOYSA-N -2 3 398.387 2.602 20 0 GFADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738837546 600123094 /nfs/dbraw/zinc/12/30/94/600123094.db2.gz GBLURCHHUOFBOT-UHFFFAOYSA-N -2 3 397.366 2.963 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738358133 600301700 /nfs/dbraw/zinc/30/17/00/600301700.db2.gz QJRQCIRCWADWEB-UHFFFAOYSA-N -3 3 392.433 2.912 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000738163479 600315009 /nfs/dbraw/zinc/31/50/09/600315009.db2.gz FXAYSRBNHPGENF-AWEZNQCLSA-N -2 3 383.809 2.694 20 0 GFADHL COC(=O)[C@H](Sc1nc2nc(C)cc(C(=O)[O-])c2c(=O)[n-]1)c1ccccc1 ZINC000737580232 600379096 /nfs/dbraw/zinc/37/90/96/600379096.db2.gz MJWADKHHYLOADH-CYBMUJFWSA-N -2 3 385.401 2.743 20 0 GFADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000740124255 600443986 /nfs/dbraw/zinc/44/39/86/600443986.db2.gz OLFDEJZFWKRYII-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000736825345 600502275 /nfs/dbraw/zinc/50/22/75/600502275.db2.gz RWXWJDMYCJJIHW-ZDUSSCGKSA-N -2 3 387.411 2.650 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000063180338 600543708 /nfs/dbraw/zinc/54/37/08/600543708.db2.gz GMXQUFLLDIMLBJ-UHFFFAOYSA-N -3 3 385.781 2.546 20 0 GFADHL C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736781184 600633655 /nfs/dbraw/zinc/63/36/55/600633655.db2.gz NTDHYAQJHHPMNC-CPCISQLKSA-N -2 3 380.235 2.753 20 0 GFADHL C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000029329720 600808688 /nfs/dbraw/zinc/80/86/88/600808688.db2.gz WBYRHIHEHWPOFD-UHFFFAOYSA-N -2 3 389.433 2.802 20 0 GFADHL Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000521869626 600990238 /nfs/dbraw/zinc/99/02/38/600990238.db2.gz ITBMVMDBRPALGM-WMLDXEAASA-N -2 3 379.434 2.732 20 0 GFADHL Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832972029 601229572 /nfs/dbraw/zinc/22/95/72/601229572.db2.gz GAPLVMQXWBMDSH-UHFFFAOYSA-N -2 3 385.388 2.719 20 0 GFADHL Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)s1 ZINC000325067118 601236845 /nfs/dbraw/zinc/23/68/45/601236845.db2.gz UZLBUVNANPINEQ-MRVPVSSYSA-N -2 3 375.418 2.942 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CCC2)c(F)cc1Br ZINC000833304610 601587472 /nfs/dbraw/zinc/58/74/72/601587472.db2.gz KGKUYYCMASTRIA-UHFFFAOYSA-N -2 3 380.235 2.755 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](NC(=O)[O-])c3ccccc3)cc2)n1 ZINC000740054344 601910405 /nfs/dbraw/zinc/91/04/05/601910405.db2.gz KUUXSAHZJGINKT-KRWDZBQOSA-N -2 3 378.388 2.693 20 0 GFADHL C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000235640778 602146912 /nfs/dbraw/zinc/14/69/12/602146912.db2.gz NJEMAJXLHDVPKB-IUCAKERBSA-N -2 3 380.260 2.845 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)c(Br)o1 ZINC000315752459 602148167 /nfs/dbraw/zinc/14/81/67/602148167.db2.gz RUYAGTWSJHCBLI-NXEZZACHSA-N -2 3 386.223 2.575 20 0 GFADHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)c1 ZINC000739782150 602654856 /nfs/dbraw/zinc/65/48/56/602654856.db2.gz HTBAECZMSXKUFU-UHFFFAOYSA-N -2 3 382.369 2.811 20 0 GFADHL O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3c([O-])cccc3Cl)cc2)n1 ZINC000832729086 603910775 /nfs/dbraw/zinc/91/07/75/603910775.db2.gz BDFKXSASLPUEQH-UHFFFAOYSA-N -2 3 387.783 2.851 20 0 GFADHL O=C([O-])NCc1nc(-c2ccc(NC(=O)c3c([O-])cccc3Cl)cc2)n[nH]1 ZINC000832729086 603910779 /nfs/dbraw/zinc/91/07/79/603910779.db2.gz BDFKXSASLPUEQH-UHFFFAOYSA-N -2 3 387.783 2.851 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c([O-])c1 ZINC000830217432 604006169 /nfs/dbraw/zinc/00/61/69/604006169.db2.gz WQUDFDFSRVAANC-ZDUSSCGKSA-N -2 3 385.420 2.788 20 0 GFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000262420204 604484373 /nfs/dbraw/zinc/48/43/73/604484373.db2.gz AWZMNHNXNQKKRD-SECBINFHSA-N -2 3 382.251 2.613 20 0 GFADHL CCc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3C(=O)[O-])CCCC2)no1 ZINC000833674906 605176473 /nfs/dbraw/zinc/17/64/73/605176473.db2.gz XNSFXBRMQZNMKW-UHFFFAOYSA-N -2 3 399.856 2.731 20 0 GFADHL C[C@@]1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC[C@@H]1C(=O)[O-] ZINC000833568972 605246807 /nfs/dbraw/zinc/24/68/07/605246807.db2.gz JKFWKMYAGNRXEF-QMTHXVAHSA-N -2 3 394.262 2.900 20 0 GFADHL C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820697709 606134501 /nfs/dbraw/zinc/13/45/01/606134501.db2.gz KUZBJNZTRPBRNW-GHMZBOCLSA-N -2 3 397.888 2.541 20 0 GFADHL C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820697709 606134502 /nfs/dbraw/zinc/13/45/02/606134502.db2.gz KUZBJNZTRPBRNW-GHMZBOCLSA-N -2 3 397.888 2.541 20 0 GFADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc(-c2nnn[n-]2)cn1 ZINC000823299452 606379901 /nfs/dbraw/zinc/37/99/01/606379901.db2.gz XWODSSMXEZYATA-UHFFFAOYSA-N -2 3 395.604 2.636 20 0 GFADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc(-c2nn[n-]n2)cn1 ZINC000823299452 606379903 /nfs/dbraw/zinc/37/99/03/606379903.db2.gz XWODSSMXEZYATA-UHFFFAOYSA-N -2 3 395.604 2.636 20 0 GFADHL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000821060635 606468260 /nfs/dbraw/zinc/46/82/60/606468260.db2.gz GATPABNQLHTVDY-UHFFFAOYSA-N -2 3 393.498 2.560 20 0 GFADHL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000821060635 606468261 /nfs/dbraw/zinc/46/82/61/606468261.db2.gz GATPABNQLHTVDY-UHFFFAOYSA-N -2 3 393.498 2.560 20 0 GFADHL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000820897711 606468316 /nfs/dbraw/zinc/46/83/16/606468316.db2.gz MSNZOCYBQOIQSN-UHFFFAOYSA-N -2 3 397.461 2.562 20 0 GFADHL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000820897711 606468317 /nfs/dbraw/zinc/46/83/17/606468317.db2.gz MSNZOCYBQOIQSN-UHFFFAOYSA-N -2 3 397.461 2.562 20 0 GFADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000822240238 606622587 /nfs/dbraw/zinc/62/25/87/606622587.db2.gz YKOOEQQXOWYLSX-UHFFFAOYSA-N -2 3 395.876 2.581 20 0 GFADHL O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823567584 606885259 /nfs/dbraw/zinc/88/52/59/606885259.db2.gz SGOXZIXMUUNXHK-OAHLLOKOSA-N -2 3 391.403 2.575 20 0 GFADHL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824119983 608236298 /nfs/dbraw/zinc/23/62/98/608236298.db2.gz WIMONTDLRMDZMK-UHFFFAOYSA-N -2 3 391.428 2.984 20 0 GFADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000825081857 608582088 /nfs/dbraw/zinc/58/20/88/608582088.db2.gz NXDDIAYETDLLAD-SECBINFHSA-N -2 3 395.876 2.797 20 0 GFADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000825081857 608582090 /nfs/dbraw/zinc/58/20/90/608582090.db2.gz NXDDIAYETDLLAD-SECBINFHSA-N -2 3 395.876 2.797 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)CC(C)(C)C)c1Cl ZINC000821248153 660319180 /nfs/dbraw/zinc/31/91/80/660319180.db2.gz JQQSOPUCDGCLKV-PWSUYJOCSA-N -2 3 398.308 2.830 20 0 GFADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Br)cc(F)c1[O-] ZINC000825298407 660419261 /nfs/dbraw/zinc/41/92/61/660419261.db2.gz PYJLDERKWCKMDP-UHFFFAOYSA-N -2 3 396.216 2.987 20 0 GFADHL O=S(=O)([N-]c1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1[O-] ZINC000829829264 660616130 /nfs/dbraw/zinc/61/61/30/660616130.db2.gz TYCGYEMBVFYWPB-UHFFFAOYSA-N -2 3 386.832 2.822 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC2CCCCC2)[C@@H](O)C(=O)[O-])sc1Cl ZINC000574772732 655430286 /nfs/dbraw/zinc/43/02/86/655430286.db2.gz CULNKSYTXXFOEC-DGCLKSJQSA-N -2 3 395.930 2.773 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c(Cl)c1 ZINC000579031446 655492257 /nfs/dbraw/zinc/49/22/57/655492257.db2.gz PRAINYKGSBBWOA-UHFFFAOYSA-N -2 3 390.870 2.521 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c[nH]c1=O ZINC000756938646 655907264 /nfs/dbraw/zinc/90/72/64/655907264.db2.gz DITFNAHEZDSTEO-UHFFFAOYSA-N -2 3 377.205 2.901 20 0 GFADHL C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)[C@H](C)O1 ZINC000840899094 661204382 /nfs/dbraw/zinc/20/43/82/661204382.db2.gz NOOICBGTYIUDMV-WEDXCCLWSA-N -2 3 382.265 2.783 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(F)c2)s1 ZINC000761244054 656004848 /nfs/dbraw/zinc/00/48/48/656004848.db2.gz GUVGGHNKXBELNF-UHFFFAOYSA-N -2 3 394.243 2.826 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2cccc([O-])c2F)s1 ZINC000769637623 656283560 /nfs/dbraw/zinc/28/35/60/656283560.db2.gz IMMRFYWIFQJOBY-UHFFFAOYSA-N -3 3 396.215 2.854 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc([S@](=O)C(F)(F)F)cc2)c1 ZINC000775676220 656662829 /nfs/dbraw/zinc/66/28/29/656662829.db2.gz SZGKQJYUIZGFQW-DEOSSOPVSA-N -2 3 395.380 2.829 20 0 GFADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)(CC(=O)[O-])C1 ZINC000776626607 656770868 /nfs/dbraw/zinc/77/08/68/656770868.db2.gz OHGFMLDGXGWWNJ-XPTSAGLGSA-N -2 3 381.281 2.948 20 0 GFADHL CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2cc([O-])cc(Br)c2)C(=O)[O-])C1 ZINC000909916018 664183713 /nfs/dbraw/zinc/18/37/13/664183713.db2.gz ZDDOVPNQEMPHIA-OWYVNGRQSA-N -2 3 386.242 2.543 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000399487773 563533715 /nfs/dbraw/zinc/53/37/15/563533715.db2.gz ZKQRHYKCZKODFU-PELKAZGASA-N -2 3 382.251 2.612 20 0 GFADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1cc(F)ccc1F ZINC000127267209 551339365 /nfs/dbraw/zinc/33/93/65/551339365.db2.gz CLHNGYWVMCHTBN-UHFFFAOYSA-N -2 3 378.194 2.911 20 0 GFADHL Cc1ccc2c(CC[N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cn(C)c2c1 ZINC000187197912 552409002 /nfs/dbraw/zinc/40/90/02/552409002.db2.gz CSVKLKWWLKNCBS-UHFFFAOYSA-N -2 3 378.475 2.767 20 0 GFADHL CCCC[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(=O)[O-] ZINC000262434895 553170951 /nfs/dbraw/zinc/17/09/51/553170951.db2.gz FYONCSZLWQDQFO-NSHDSACASA-N -2 3 385.463 2.610 20 0 GFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000312917553 563437759 /nfs/dbraw/zinc/43/77/59/563437759.db2.gz VYNDCLXFAMHQDJ-MRVPVSSYSA-N -2 3 384.679 2.738 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1nc(C)cs1 ZINC000325082428 563452841 /nfs/dbraw/zinc/45/28/41/563452841.db2.gz ZGIIXQBZNDKORR-MRVPVSSYSA-N -2 3 390.870 2.851 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]Cc1sc(C)nc1C ZINC000326477679 563455066 /nfs/dbraw/zinc/45/50/66/563455066.db2.gz NYQCOIJXSLFSKO-UHFFFAOYSA-N -2 3 390.870 2.599 20 0 GFADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427311469 563465205 /nfs/dbraw/zinc/46/52/05/563465205.db2.gz CEEORPBHTVXLLX-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000427909200 563478303 /nfs/dbraw/zinc/47/83/03/563478303.db2.gz RVJHYLJSKSDMGJ-UHFFFAOYSA-N -2 3 385.854 2.749 20 0 GFADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000392453529 563527256 /nfs/dbraw/zinc/52/72/56/563527256.db2.gz FHMZOFYYNDZWOY-UWVGGRQHSA-N -2 3 378.834 2.806 20 0 GFADHL COc1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])ccc1[N-]S(C)(=O)=O ZINC000436773837 563679736 /nfs/dbraw/zinc/67/97/36/563679736.db2.gz QXVSUZAFGRAEDL-UHFFFAOYSA-N -2 3 388.804 2.817 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000436993435 563687342 /nfs/dbraw/zinc/68/73/42/563687342.db2.gz CBRNHNCYTRKPPN-UHFFFAOYSA-N -3 3 375.324 2.996 20 0 GFADHL CCCn1nc(C)c(-c2ccc(S(=O)(=O)[N-]CC(=O)[O-])c(Cl)c2)c1C ZINC000563436477 564191624 /nfs/dbraw/zinc/19/16/24/564191624.db2.gz LHTBOXCQZXFRJK-UHFFFAOYSA-N -2 3 385.873 2.593 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)s1 ZINC000539408803 564219462 /nfs/dbraw/zinc/21/94/62/564219462.db2.gz YBHBPZNSVWPWRR-SUMWQHHRSA-N -2 3 380.491 2.853 20 0 GFADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000473222460 564241563 /nfs/dbraw/zinc/24/15/63/564241563.db2.gz XJXZNQBBCDNHFT-UHFFFAOYSA-N -2 3 380.571 2.815 20 0 GFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000540983694 564261925 /nfs/dbraw/zinc/26/19/25/564261925.db2.gz UMHMRKYVOLOVCH-SECBINFHSA-N -2 3 382.251 2.900 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2(C)CCCC2)c(F)c1 ZINC000451116004 564277201 /nfs/dbraw/zinc/27/72/01/564277201.db2.gz PHBZDUALDWIFQA-UHFFFAOYSA-N -2 3 378.491 2.588 20 0 GFADHL COc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000566044098 564307839 /nfs/dbraw/zinc/30/78/39/564307839.db2.gz FSQZCDAQJIUAEM-CQSZACIVSA-N -2 3 381.475 2.911 20 0 GFADHL Cc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)nc(C)n1 ZINC000566316764 564323021 /nfs/dbraw/zinc/32/30/21/564323021.db2.gz OGVMTPXFYZVTAA-UHFFFAOYSA-N -2 3 383.495 2.629 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCCSc1ccccc1 ZINC000568261675 564412303 /nfs/dbraw/zinc/41/23/03/564412303.db2.gz KWDNKYXPWWYGLN-UHFFFAOYSA-N -2 3 387.504 2.916 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C1CC1 ZINC000515379649 564477469 /nfs/dbraw/zinc/47/74/69/564477469.db2.gz JZJKMILBSIYVHO-LLVKDONJSA-N -2 3 388.492 2.649 20 0 GFADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])c2ccc(F)cc2O1 ZINC000569922871 564483842 /nfs/dbraw/zinc/48/38/42/564483842.db2.gz ALHXPGXONBAFQH-SNVBAGLBSA-N -2 3 386.426 2.561 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547565794 564494885 /nfs/dbraw/zinc/49/48/85/564494885.db2.gz PKTLKFFKLHBDAF-JSGCOSHPSA-N -2 3 394.262 2.900 20 0 GFADHL Cc1sc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000547579853 564497480 /nfs/dbraw/zinc/49/74/80/564497480.db2.gz XKFFOSMDWUYWMC-GHMZBOCLSA-N -2 3 376.456 2.667 20 0 GFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547611221 564502514 /nfs/dbraw/zinc/50/25/14/564502514.db2.gz OOSVRWAWSQLKLF-LLVKDONJSA-N -2 3 382.251 2.756 20 0 GFADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000547616804 564504196 /nfs/dbraw/zinc/50/41/96/564504196.db2.gz HGXKIPNRGSIEOK-AWEZNQCLSA-N -2 3 375.780 2.592 20 0 GFADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000547869468 564514208 /nfs/dbraw/zinc/51/42/08/564514208.db2.gz AVKYVEAKXTYHMO-JOYOIKCWSA-N -2 3 375.830 2.512 20 0 GFADHL O=C([O-])[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547886685 564515942 /nfs/dbraw/zinc/51/59/42/564515942.db2.gz HLDHOQUDTUGRBL-LLVKDONJSA-N -2 3 391.829 2.545 20 0 GFADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547937282 564523840 /nfs/dbraw/zinc/52/38/40/564523840.db2.gz AKHQWJLJFMPZIA-LLVKDONJSA-N -2 3 375.855 2.655 20 0 GFADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)(C(=O)[O-])C1(C)C ZINC000548028555 564528549 /nfs/dbraw/zinc/52/85/49/564528549.db2.gz ASQOGVCWFOPOHE-WFASDCNBSA-N -2 3 396.292 2.930 20 0 GFADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])c1 ZINC000548228146 564538853 /nfs/dbraw/zinc/53/88/53/564538853.db2.gz CJSKEMQKMWXAJG-NSHDSACASA-N -2 3 394.287 2.625 20 0 GFADHL CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3Cl)cc12 ZINC000548223507 564539071 /nfs/dbraw/zinc/53/90/71/564539071.db2.gz FHVRLVFPZBNZRI-UHFFFAOYSA-N -2 3 381.797 2.938 20 0 GFADHL Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000548529054 564555447 /nfs/dbraw/zinc/55/54/47/564555447.db2.gz JCIIRVJGMVXFRL-UHFFFAOYSA-N -2 3 395.289 2.978 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1cccs1 ZINC000548524077 564555472 /nfs/dbraw/zinc/55/54/72/564555472.db2.gz BUZZHBGNQGGEFU-LLVKDONJSA-N -2 3 394.243 2.754 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1cccs1 ZINC000548524730 564555794 /nfs/dbraw/zinc/55/57/94/564555794.db2.gz VLQOMUOTRNSWPY-NSHDSACASA-N -2 3 394.243 2.754 20 0 GFADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1C ZINC000548552413 564559333 /nfs/dbraw/zinc/55/93/33/564559333.db2.gz RWHXQXMZQALMLT-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000548768397 564573689 /nfs/dbraw/zinc/57/36/89/564573689.db2.gz RIHGRFIIHGPUIL-JTQLQIEISA-N -2 3 387.351 2.892 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000519394377 564576858 /nfs/dbraw/zinc/57/68/58/564576858.db2.gz GNQYPXSDDCAMNT-LBPRGKRZSA-N -2 3 391.873 2.674 20 0 GFADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000551243911 564644065 /nfs/dbraw/zinc/64/40/65/564644065.db2.gz XOYVVMLWUHZIMW-CQSZACIVSA-N -2 3 393.303 2.792 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c(F)cc1Br ZINC000573575109 564644359 /nfs/dbraw/zinc/64/43/59/564644359.db2.gz LYGUNEZTWDBESZ-LLVKDONJSA-N -2 3 382.251 2.674 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000526060586 564717870 /nfs/dbraw/zinc/71/78/70/564717870.db2.gz AKGGINHUDKIJKM-SNVBAGLBSA-N -2 3 398.359 2.714 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000526059366 564718354 /nfs/dbraw/zinc/71/83/54/564718354.db2.gz GEWCWTHCNCFPSB-HZMBPMFUSA-N -2 3 393.889 2.531 20 0 GFADHL CCCSC[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000577038503 564723539 /nfs/dbraw/zinc/72/35/39/564723539.db2.gz JJMKWVOVYMQIAS-LBPRGKRZSA-N -2 3 375.443 2.755 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000527051363 564727815 /nfs/dbraw/zinc/72/78/15/564727815.db2.gz DKEVOSSPMRUZNA-JTQLQIEISA-N -2 3 381.262 2.863 20 0 GFADHL O=C(Cc1ccc(Br)cc1[O-])Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000527496697 564744066 /nfs/dbraw/zinc/74/40/66/564744066.db2.gz VIWYWEAVFCTTHL-UHFFFAOYSA-N -2 3 390.193 2.679 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCC1 ZINC000581406012 564801037 /nfs/dbraw/zinc/80/10/37/564801037.db2.gz ZOQNZFFEHKUMPQ-UHFFFAOYSA-N -2 3 385.335 2.648 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000582488467 564849192 /nfs/dbraw/zinc/84/91/92/564849192.db2.gz GNZKNDKKHNZLIC-JTQLQIEISA-N -2 3 382.663 2.634 20 0 GFADHL CC(C)(C)c1cc(CS(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2Cl)no1 ZINC000530141609 564866622 /nfs/dbraw/zinc/86/66/22/564866622.db2.gz HISYIFQJTCRYFP-AWEZNQCLSA-N -2 3 386.857 2.871 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])cc1Cl ZINC000530367998 564878207 /nfs/dbraw/zinc/87/82/07/564878207.db2.gz GOFFNPXRWXFBMY-LLVKDONJSA-N -2 3 382.265 2.924 20 0 GFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)o1 ZINC000583315468 564886187 /nfs/dbraw/zinc/88/61/87/564886187.db2.gz ZGKNATVNMVTSQA-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000558587280 564907841 /nfs/dbraw/zinc/90/78/41/564907841.db2.gz WZYLSHXJZLXHON-UHFFFAOYSA-N -2 3 382.825 2.726 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)s2)cs1 ZINC000561856433 565011242 /nfs/dbraw/zinc/01/12/42/565011242.db2.gz RMNQZAUTMZENJX-QMMMGPOBSA-N -2 3 396.462 2.814 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000562982226 565050842 /nfs/dbraw/zinc/05/08/42/565050842.db2.gz IQSXYAAESPKSJD-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@](C)(CC)C2CC2)c(F)c1 ZINC000657179423 565084812 /nfs/dbraw/zinc/08/48/12/565084812.db2.gz SDFXBNBCRBOYDI-MRXNPFEDSA-N -2 3 392.518 2.834 20 0 GFADHL O=C([O-])C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000659208269 565206677 /nfs/dbraw/zinc/20/66/77/565206677.db2.gz FTUWQBKNMVIVQB-SNVBAGLBSA-N -2 3 393.237 2.521 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)c1 ZINC000663293521 565407948 /nfs/dbraw/zinc/40/79/48/565407948.db2.gz IZSCVYMSFWMDIO-CYBMUJFWSA-N -2 3 392.264 2.875 20 0 GFADHL CCn1cc(S(=O)(=O)[N-][C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)nc1C ZINC000646042186 565585074 /nfs/dbraw/zinc/58/50/74/565585074.db2.gz LDVNMPNAQTUZPY-INIZCTEOSA-N -2 3 385.873 2.533 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-])C(C)C ZINC000647130312 565640102 /nfs/dbraw/zinc/64/01/02/565640102.db2.gz QANJTACSBWMAJJ-LLVKDONJSA-N -2 3 394.287 2.868 20 0 GFADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000647622165 565667432 /nfs/dbraw/zinc/66/74/32/565667432.db2.gz KPCDJALCIPWUTJ-BDAKNGLRSA-N -2 3 385.335 2.646 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000650427418 565819851 /nfs/dbraw/zinc/81/98/51/565819851.db2.gz IUZFSGMNYVWHQM-ZETCQYMHSA-N -2 3 382.663 2.634 20 0 GFADHL COC1(C[C@H]([N-]S(=O)(=O)c2cc3cccc(C)c3s2)C(=O)[O-])CCC1 ZINC000650433527 565821656 /nfs/dbraw/zinc/82/16/56/565821656.db2.gz BKULXTVSPFPHSL-ZDUSSCGKSA-N -2 3 383.491 2.900 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000629334632 565844965 /nfs/dbraw/zinc/84/49/65/565844965.db2.gz UTUIBARJYLKVRO-ZLKJLUDKSA-N -2 3 399.877 2.725 20 0 GFADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000630434034 565901035 /nfs/dbraw/zinc/90/10/35/565901035.db2.gz CGBDFEBSCNFHET-KYZUINATSA-N -2 3 385.335 2.646 20 0 GFADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000630434054 565901229 /nfs/dbraw/zinc/90/12/29/565901229.db2.gz DGBJKXVATIQLPZ-CZMCAQCFSA-N -2 3 380.235 2.510 20 0 GFADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-])C1CC1 ZINC000656168189 566108528 /nfs/dbraw/zinc/10/85/28/566108528.db2.gz GCEDJKPJVYGUQM-VXGBXAGGSA-N -2 3 396.292 2.848 20 0 GFADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-])C1CC1 ZINC000656169825 566109788 /nfs/dbraw/zinc/10/97/88/566109788.db2.gz ROYLANWURWBEAZ-VXGBXAGGSA-N -2 3 382.265 2.540 20 0 GFADHL C[C@@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736262109 598414640 /nfs/dbraw/zinc/41/46/40/598414640.db2.gz MGYSMJZHWYCYTQ-MNOVXSKESA-N -2 3 397.888 2.541 20 0 GFADHL C[C@@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736262109 598414642 /nfs/dbraw/zinc/41/46/42/598414642.db2.gz MGYSMJZHWYCYTQ-MNOVXSKESA-N -2 3 397.888 2.541 20 0 GFADHL O=S(=O)([N-]c1nc(Cc2ccccc2)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000738338667 598438774 /nfs/dbraw/zinc/43/87/74/598438774.db2.gz HQTGGKGFUYBBEK-UHFFFAOYSA-N -2 3 398.473 2.715 20 0 GFADHL O=S(=O)([N-]c1nc(Cc2ccccc2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000738338667 598438775 /nfs/dbraw/zinc/43/87/75/598438775.db2.gz HQTGGKGFUYBBEK-UHFFFAOYSA-N -2 3 398.473 2.715 20 0 GFADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000738342195 598596110 /nfs/dbraw/zinc/59/61/10/598596110.db2.gz OOEJCEIOBCWELP-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000738342195 598596111 /nfs/dbraw/zinc/59/61/11/598596111.db2.gz OOEJCEIOBCWELP-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL COc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000821877437 599305935 /nfs/dbraw/zinc/30/59/35/599305935.db2.gz JZGDFVOENQBBHN-UHFFFAOYSA-N -2 3 399.354 2.695 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1F ZINC000823583650 599308104 /nfs/dbraw/zinc/30/81/04/599308104.db2.gz WTJQSDKRRNFYEZ-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1F ZINC000823583650 599308106 /nfs/dbraw/zinc/30/81/06/599308106.db2.gz WTJQSDKRRNFYEZ-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1OCCCC(=O)[O-] ZINC000541807177 599768757 /nfs/dbraw/zinc/76/87/57/599768757.db2.gz DDYGSNKWIYFCJS-UHFFFAOYSA-N -3 3 393.417 2.738 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)CCCCCC2)no1 ZINC000578765287 599932771 /nfs/dbraw/zinc/93/27/71/599932771.db2.gz RISMFZQQMATUAO-UHFFFAOYSA-N -2 3 393.465 2.913 20 0 GFADHL CN(Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1)C(=O)[O-] ZINC000737479322 600331040 /nfs/dbraw/zinc/33/10/40/600331040.db2.gz WIYJOBLJGNRPDN-QGZVFWFLSA-N -2 3 397.431 2.745 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)c1C(=O)[O-] ZINC000738744788 600396305 /nfs/dbraw/zinc/39/63/05/600396305.db2.gz NXCHIMZICYTOER-CQSZACIVSA-N -2 3 390.461 2.719 20 0 GFADHL O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)NCc1ccc([O-])c(F)c1)CC3 ZINC000740185772 600502461 /nfs/dbraw/zinc/50/24/61/600502461.db2.gz FDWHHMCRKVLJQM-UHFFFAOYSA-N -2 3 383.379 2.979 20 0 GFADHL CCOC(=O)c1sc2[n-]c([C@H](C)SC[C@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000737156539 600606844 /nfs/dbraw/zinc/60/68/44/600606844.db2.gz KZBJWJIJVVFLFE-CBAPKCEASA-N -2 3 384.479 2.985 20 0 GFADHL CCOC(=O)c1sc2[n-]c([C@@H](C)SC[C@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000737156540 600606910 /nfs/dbraw/zinc/60/69/10/600606910.db2.gz KZBJWJIJVVFLFE-IONNQARKSA-N -2 3 384.479 2.985 20 0 GFADHL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)cc21 ZINC000363544631 600633997 /nfs/dbraw/zinc/63/39/97/600633997.db2.gz CMDABBLIZDFMIM-UHFFFAOYSA-N -2 3 392.408 2.624 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000827756218 600800563 /nfs/dbraw/zinc/80/05/63/600800563.db2.gz YVSNGLROPFYETH-JTQLQIEISA-N -2 3 391.380 2.613 20 0 GFADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000237626701 601227435 /nfs/dbraw/zinc/22/74/35/601227435.db2.gz IKOCDVNGJCIYPY-UHFFFAOYSA-N -2 3 379.221 2.775 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1nc(C)cs1 ZINC000828994228 601234881 /nfs/dbraw/zinc/23/48/81/601234881.db2.gz MABIENOMHHUGLV-VIFPVBQESA-N -2 3 376.406 2.858 20 0 GFADHL Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832979555 601239803 /nfs/dbraw/zinc/23/98/03/601239803.db2.gz QNXAQNRBQTWGPL-NSHDSACASA-N -2 3 385.388 2.717 20 0 GFADHL CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1(C)C ZINC000829413763 601240449 /nfs/dbraw/zinc/24/04/49/601240449.db2.gz XGDAUNHBRCTGSW-OLZOCXBDSA-N -2 3 391.436 2.925 20 0 GFADHL C[C@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000827741667 601519009 /nfs/dbraw/zinc/51/90/09/601519009.db2.gz PHYMCFADNHLXQZ-JTQLQIEISA-N -2 3 399.856 2.625 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](N(C)C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740210510 602006369 /nfs/dbraw/zinc/00/63/69/602006369.db2.gz USTCSGYPIGRUCT-HNNXBMFYSA-N -2 3 385.424 2.764 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000832904495 602114663 /nfs/dbraw/zinc/11/46/63/602114663.db2.gz PMIVKBHZKYMPTE-UHFFFAOYSA-N -3 3 378.406 2.570 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c(Br)o1 ZINC000055313208 602140238 /nfs/dbraw/zinc/14/02/38/602140238.db2.gz WEAOLSRBUDLGCT-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)c(Br)o1 ZINC000761306928 602159031 /nfs/dbraw/zinc/15/90/31/602159031.db2.gz GHCVXSBWPRSKMM-NXEZZACHSA-N -2 3 392.271 2.987 20 0 GFADHL CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000233996476 602161686 /nfs/dbraw/zinc/16/16/86/602161686.db2.gz KPLMTPUQUILRIY-IONNQARKSA-N -2 3 398.300 2.693 20 0 GFADHL CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000233852709 602161805 /nfs/dbraw/zinc/16/18/05/602161805.db2.gz KPLMTPUQUILRIY-APPZFPTMSA-N -2 3 398.300 2.693 20 0 GFADHL Cc1cccc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000832964533 602225214 /nfs/dbraw/zinc/22/52/14/602225214.db2.gz NPRCKZWDBDUDIC-UHFFFAOYSA-N -2 3 388.239 2.836 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829971441 603838158 /nfs/dbraw/zinc/83/81/58/603838158.db2.gz MBVZEKKYIRATCW-NSHDSACASA-N -3 3 378.406 2.823 20 0 GFADHL O=C([O-])NC1CCC(NC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000832312459 604276648 /nfs/dbraw/zinc/27/66/48/604276648.db2.gz DBPKYXDFYXDLAS-UHFFFAOYSA-N -2 3 386.246 2.533 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2Br)ccc1Cl ZINC000236459876 604403627 /nfs/dbraw/zinc/40/36/27/604403627.db2.gz GYTBRXGMEDTBFC-UHFFFAOYSA-N -2 3 391.630 2.997 20 0 GFADHL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824353025 607694586 /nfs/dbraw/zinc/69/45/86/607694586.db2.gz UQYIVVJRAULENY-UHFFFAOYSA-N -2 3 378.845 2.839 20 0 GFADHL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824353025 607694588 /nfs/dbraw/zinc/69/45/88/607694588.db2.gz UQYIVVJRAULENY-UHFFFAOYSA-N -2 3 378.845 2.839 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(Br)n1 ZINC000832950168 604798398 /nfs/dbraw/zinc/79/83/98/604798398.db2.gz FHHPJXGEFNMVGQ-UHFFFAOYSA-N -2 3 377.241 2.713 20 0 GFADHL CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833428345 605027630 /nfs/dbraw/zinc/02/76/30/605027630.db2.gz YFBRJTAHJKSCMN-JOYOIKCWSA-N -2 3 377.409 2.535 20 0 GFADHL CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000833504158 605078363 /nfs/dbraw/zinc/07/83/63/605078363.db2.gz NIZQELZKOLOBCM-UHFFFAOYSA-N -2 3 377.409 2.678 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@H](NC(=O)[O-])C[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000830684934 605474452 /nfs/dbraw/zinc/47/44/52/605474452.db2.gz CWUOCAWXBXVUQQ-NHYWBVRUSA-N -2 3 385.424 2.810 20 0 GFADHL O=C(CC1CCCCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822941169 606179331 /nfs/dbraw/zinc/17/93/31/606179331.db2.gz SARAGTBDJRGVBP-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL O=C(CC1CCCCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822941169 606179332 /nfs/dbraw/zinc/17/93/32/606179332.db2.gz SARAGTBDJRGVBP-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1c([O-])cc(Cl)cc1Cl ZINC000823249664 606197427 /nfs/dbraw/zinc/19/74/27/606197427.db2.gz FQVPQYMELKXMMG-UHFFFAOYSA-N -2 3 382.182 2.948 20 0 GFADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1c([O-])cc(Cl)cc1Cl ZINC000823249664 606197430 /nfs/dbraw/zinc/19/74/30/606197430.db2.gz FQVPQYMELKXMMG-UHFFFAOYSA-N -2 3 382.182 2.948 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000821308499 606599413 /nfs/dbraw/zinc/59/94/13/606599413.db2.gz BWBIQNLQUWMZTN-UHFFFAOYSA-N -2 3 396.835 2.892 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1Cl ZINC000822240146 607026604 /nfs/dbraw/zinc/02/66/04/607026604.db2.gz ULNHTYMYXQXIBY-UHFFFAOYSA-N -2 3 391.265 2.739 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)cc1F ZINC000822211485 607155699 /nfs/dbraw/zinc/15/56/99/607155699.db2.gz ATEHBTXSGSRKKM-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)cc1F ZINC000822211485 607155700 /nfs/dbraw/zinc/15/57/00/607155700.db2.gz ATEHBTXSGSRKKM-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL O=S(=O)([N-]c1scnc1C1CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826493404 608095363 /nfs/dbraw/zinc/09/53/63/608095363.db2.gz JEWODXRLYOTIEP-UHFFFAOYSA-N -2 3 382.858 2.655 20 0 GFADHL O=S(=O)([N-]c1scnc1C1CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826493404 608095364 /nfs/dbraw/zinc/09/53/64/608095364.db2.gz JEWODXRLYOTIEP-UHFFFAOYSA-N -2 3 382.858 2.655 20 0 GFADHL CCCc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000825352330 608490361 /nfs/dbraw/zinc/49/03/61/608490361.db2.gz MARQIYZGCMXCTI-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL CCCc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000825352330 608490363 /nfs/dbraw/zinc/49/03/63/608490363.db2.gz MARQIYZGCMXCTI-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL CCCOc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000825342211 608527774 /nfs/dbraw/zinc/52/77/74/608527774.db2.gz RKBFMMXVJGRWPZ-UHFFFAOYSA-N -2 3 395.391 2.735 20 0 GFADHL CCCOc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000825342211 608527775 /nfs/dbraw/zinc/52/77/75/608527775.db2.gz RKBFMMXVJGRWPZ-UHFFFAOYSA-N -2 3 395.391 2.735 20 0 GFADHL O=C(c1cccc(Cl)c1[O-])N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826473729 608589440 /nfs/dbraw/zinc/58/94/40/608589440.db2.gz KUOXQKOTZHGEKL-UHFFFAOYSA-N -2 3 399.838 2.909 20 0 GFADHL O=C(c1cccc(Cl)c1[O-])N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826473729 608589442 /nfs/dbraw/zinc/58/94/42/608589442.db2.gz KUOXQKOTZHGEKL-UHFFFAOYSA-N -2 3 399.838 2.909 20 0 GFADHL CC(=O)c1cc(F)c([N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000824010363 609238403 /nfs/dbraw/zinc/23/84/03/609238403.db2.gz KOSNUFJDMBXADH-UHFFFAOYSA-N -2 3 379.273 2.878 20 0 GFADHL O=S(=O)([N-]c1ccc2cccc(Cl)c2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826493008 609525325 /nfs/dbraw/zinc/52/53/25/609525325.db2.gz OSSFKXKVAUIJQM-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCO1 ZINC000817573492 660200955 /nfs/dbraw/zinc/20/09/55/660200955.db2.gz NNQFAQCCHWLAGC-NXEZZACHSA-N -2 3 382.265 2.928 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)cc1C ZINC000826211776 660451491 /nfs/dbraw/zinc/45/14/91/660451491.db2.gz UAEPTJJBBDNMCO-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2ccccc2Br)c1-c1nn[n-]n1 ZINC000826299445 660452687 /nfs/dbraw/zinc/45/26/87/660452687.db2.gz FRIXHCGZJRYDNG-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL O=C([N-]C1(c2nn[n-]n2)CCCC1)C(F)(F)c1ccc(Br)cc1 ZINC000828082112 660530993 /nfs/dbraw/zinc/53/09/93/660530993.db2.gz AJWBAICUWQSZOM-UHFFFAOYSA-N -2 3 386.200 2.640 20 0 GFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000837294122 660983894 /nfs/dbraw/zinc/98/38/94/660983894.db2.gz YMVGLCHAUGOTEU-VIFPVBQESA-N -2 3 398.250 2.519 20 0 GFADHL O=C([N-][N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccn1 ZINC000045774390 654671141 /nfs/dbraw/zinc/67/11/41/654671141.db2.gz RNXZYXDCFOMYHA-UHFFFAOYSA-N -2 3 380.640 2.665 20 0 GFADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312816577 655379872 /nfs/dbraw/zinc/37/98/72/655379872.db2.gz SJCDUPVVKRVEPQ-SNVBAGLBSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000324651127 655384213 /nfs/dbraw/zinc/38/42/13/655384213.db2.gz BJXHYVBNZKZCDU-CYBMUJFWSA-N -2 3 376.818 2.560 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC2CCCCC2)[C@@H](O)C(=O)[O-])sc1Cl ZINC000574772733 655430352 /nfs/dbraw/zinc/43/03/52/655430352.db2.gz CULNKSYTXXFOEC-WCQYABFASA-N -2 3 395.930 2.773 20 0 GFADHL C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761263529 656005887 /nfs/dbraw/zinc/00/58/87/656005887.db2.gz OTRRGBBTBGSNOI-YGRLFVJLSA-N -2 3 377.409 2.537 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])c(C)c1Cl ZINC000794914464 658635256 /nfs/dbraw/zinc/63/52/56/658635256.db2.gz MKGLAWOCWQNBNM-VIFPVBQESA-N -2 3 397.902 2.522 20 0 GFADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000806639283 659838573 /nfs/dbraw/zinc/83/85/73/659838573.db2.gz PUMKIRWWSSCFAM-SECBINFHSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000806640779 659838774 /nfs/dbraw/zinc/83/87/74/659838774.db2.gz WPDNFAKVVIMWQU-SECBINFHSA-N -2 3 382.663 2.634 20 0 GFADHL C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000809150567 659918403 /nfs/dbraw/zinc/91/84/03/659918403.db2.gz ITPGFQQOXLDGPK-ANRSDYALSA-N -2 3 385.800 2.978 20 0 GFADHL COCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCCCC1 ZINC000811682293 660014211 /nfs/dbraw/zinc/01/42/11/660014211.db2.gz UQKTYYKMQSXBOZ-UHFFFAOYSA-N -2 3 377.409 2.538 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000844896990 661447108 /nfs/dbraw/zinc/44/71/08/661447108.db2.gz KOROAYMTNBURNT-WCQGTBRESA-N -2 3 394.276 2.928 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)CCS2 ZINC000899949162 663703780 /nfs/dbraw/zinc/70/37/80/663703780.db2.gz NDEVCEJZNOOCED-KGXJWFGYSA-N -2 3 393.889 2.886 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)CCS2 ZINC000899949163 663703826 /nfs/dbraw/zinc/70/38/26/663703826.db2.gz NDEVCEJZNOOCED-VOZQYIJBSA-N -2 3 393.889 2.886 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@](C)(C(=O)[O-])C2)c1Cl ZINC000906011691 663908535 /nfs/dbraw/zinc/90/85/35/663908535.db2.gz ULIWLSAXWQPBOQ-OTYXRUKQSA-N -2 3 382.265 2.602 20 0 GFADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000044242950 551143624 /nfs/dbraw/zinc/14/36/24/551143624.db2.gz MZJCRUJLZZYIIV-UHFFFAOYSA-N -2 3 391.630 2.997 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1[N-]S(C)(=O)=O ZINC000044259490 551143765 /nfs/dbraw/zinc/14/37/65/551143765.db2.gz PHQRCHWIFKXSTB-UHFFFAOYSA-N -2 3 390.508 2.546 20 0 GFADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1F ZINC000124710162 551317164 /nfs/dbraw/zinc/31/71/64/551317164.db2.gz ALNGBJGRDOOABI-UHFFFAOYSA-N -2 3 390.433 2.836 20 0 GFADHL CSc1nc(C)c(CCC(=O)Nc2ccc(Br)cc2[O-])c(=O)[n-]1 ZINC000126000692 551325327 /nfs/dbraw/zinc/32/53/27/551325327.db2.gz JXFQRXWBYUABPX-UHFFFAOYSA-N -2 3 398.282 2.840 20 0 GFADHL CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1F ZINC000137187932 551390967 /nfs/dbraw/zinc/39/09/67/551390967.db2.gz IBTABIWSCVWVMK-UHFFFAOYSA-N -2 3 390.433 2.916 20 0 GFADHL CC(C)(C)[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1F ZINC000150869572 551403131 /nfs/dbraw/zinc/40/31/31/551403131.db2.gz PYRZDMBUIZNMCB-UHFFFAOYSA-N -2 3 392.499 2.765 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000172897164 551689826 /nfs/dbraw/zinc/68/98/26/551689826.db2.gz VOEAMKJHBOOCOF-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL O=C(NCC(F)F)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000174064085 552098023 /nfs/dbraw/zinc/09/80/23/552098023.db2.gz HDSCYEPUFJCCRY-UHFFFAOYSA-N -2 3 390.795 2.841 20 0 GFADHL CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])ccc1F ZINC000178466353 552170701 /nfs/dbraw/zinc/17/07/01/552170701.db2.gz PEOGSQQRBPPLLC-UHFFFAOYSA-N -2 3 376.768 2.948 20 0 GFADHL O=C(NCCCF)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000179856906 552205696 /nfs/dbraw/zinc/20/56/96/552205696.db2.gz WFKMSXDHRIHCDK-UHFFFAOYSA-N -2 3 386.832 2.936 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c[nH]1 ZINC000191879449 552541252 /nfs/dbraw/zinc/54/12/52/552541252.db2.gz VPRRPUFUJGCURL-UHFFFAOYSA-N -2 3 381.154 2.554 20 0 GFADHL CC[C@H](CS(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-])OC ZINC000421147752 563297506 /nfs/dbraw/zinc/29/75/06/563297506.db2.gz FXOXGCYKZABFOX-SECBINFHSA-N -2 3 380.260 2.622 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br)CC(=O)[O-] ZINC000281946480 563391201 /nfs/dbraw/zinc/39/12/01/563391201.db2.gz JIXQVMDKBTYUDF-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](CC)CC(=O)[O-] ZINC000316847915 563441560 /nfs/dbraw/zinc/44/15/60/563441560.db2.gz NMHCWZBWKPEHPE-JTQLQIEISA-N -2 3 394.287 2.627 20 0 GFADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000325760518 563454644 /nfs/dbraw/zinc/45/46/44/563454644.db2.gz GAZDJSRILURHTA-UHFFFAOYSA-N -2 3 398.796 2.575 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1CO ZINC000327740050 563459125 /nfs/dbraw/zinc/45/91/25/563459125.db2.gz KAYQIVYSTDONMM-UHFFFAOYSA-N -2 3 385.825 2.730 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000388771308 563521335 /nfs/dbraw/zinc/52/13/35/563521335.db2.gz GGYYKTAWOHPDKD-OCCSQVGLSA-N -2 3 394.262 2.900 20 0 GFADHL CCCCOCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000392419397 563527090 /nfs/dbraw/zinc/52/70/90/563527090.db2.gz FARITTVEOZJZKO-UHFFFAOYSA-N -2 3 379.862 2.532 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2csc(Br)c2)c1 ZINC000397242645 563531976 /nfs/dbraw/zinc/53/19/76/563531976.db2.gz AESOGFJUDJSITI-UHFFFAOYSA-N -2 3 382.282 2.749 20 0 GFADHL O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1cc(Cl)ccc1[O-] ZINC000436608463 563675209 /nfs/dbraw/zinc/67/52/09/563675209.db2.gz UQGVNQDUYVSGSE-UHFFFAOYSA-N -2 3 382.825 2.543 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CSc3n[n-]c(=S)s3)cc2)n1 ZINC000363356834 563720418 /nfs/dbraw/zinc/72/04/18/563720418.db2.gz UHSRWTCNTDORKO-UHFFFAOYSA-N -2 3 391.503 2.616 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1F ZINC000442843517 563781280 /nfs/dbraw/zinc/78/12/80/563781280.db2.gz KBWRGJDTBWOBGR-UHFFFAOYSA-N -2 3 384.410 2.744 20 0 GFADHL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000538299425 564187005 /nfs/dbraw/zinc/18/70/05/564187005.db2.gz ZVLRTUBODOPCHG-UHFFFAOYSA-N -2 3 387.841 2.880 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccsc1 ZINC000563496925 564192946 /nfs/dbraw/zinc/19/29/46/564192946.db2.gz RDCVXLSBESRDDV-LLVKDONJSA-N -2 3 399.343 2.890 20 0 GFADHL CCCS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2ccoc2)c(F)cc1F ZINC000506610503 564206325 /nfs/dbraw/zinc/20/63/25/564206325.db2.gz IMQJNLYMQGDKSP-UHFFFAOYSA-N -2 3 380.394 2.510 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)ccc1C(=O)[O-] ZINC000506663220 564208545 /nfs/dbraw/zinc/20/85/45/564208545.db2.gz QLBAFOIMXJLWOT-XMMPIXPASA-N -2 3 381.475 2.681 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nc(C)cs2)c(F)c1 ZINC000450956710 564257071 /nfs/dbraw/zinc/25/70/71/564257071.db2.gz IQIGWDOYBSRPLL-UHFFFAOYSA-N -2 3 393.487 2.543 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(F)c1 ZINC000451120984 564277638 /nfs/dbraw/zinc/27/76/38/564277638.db2.gz MPGMMCGZTIVDDZ-ZDUSSCGKSA-N -2 3 390.502 2.612 20 0 GFADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000476281162 564333402 /nfs/dbraw/zinc/33/34/02/564333402.db2.gz CUCQDSCQKLEQIL-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543769059 564362908 /nfs/dbraw/zinc/36/29/08/564362908.db2.gz DLAYSKNZYAKGAS-MFKMUULPSA-N -2 3 380.235 2.510 20 0 GFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000568753874 564433217 /nfs/dbraw/zinc/43/32/17/564433217.db2.gz FMQOGZCLFGXCKC-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000569358010 564459836 /nfs/dbraw/zinc/45/98/36/564459836.db2.gz BYANANZTAULUJZ-SSDOTTSWSA-N -2 3 375.497 2.635 20 0 GFADHL O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547565280 564494837 /nfs/dbraw/zinc/49/48/37/564494837.db2.gz LHXXDWJYMAXTTI-JTQLQIEISA-N -2 3 391.829 2.545 20 0 GFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000570393087 564503468 /nfs/dbraw/zinc/50/34/68/564503468.db2.gz BFLPGJPTIWZZGN-TZMCWYRMSA-N -2 3 389.788 2.579 20 0 GFADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000547874044 564515377 /nfs/dbraw/zinc/51/53/77/564515377.db2.gz LPEBWJMQOROLOB-JQWIXIFHSA-N -2 3 389.857 2.820 20 0 GFADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000547937157 564523812 /nfs/dbraw/zinc/52/38/12/564523812.db2.gz WJHWYGAKSTUQLJ-CQSZACIVSA-N -2 3 375.780 2.592 20 0 GFADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(Cl)c1 ZINC000481980308 564530657 /nfs/dbraw/zinc/53/06/57/564530657.db2.gz KIDCHXZGTPYQRO-UHFFFAOYSA-N -2 3 382.825 2.726 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC000548197186 564534896 /nfs/dbraw/zinc/53/48/96/564534896.db2.gz ACRSNCNUSJRJIT-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1cccnc1 ZINC000548220177 564538204 /nfs/dbraw/zinc/53/82/04/564538204.db2.gz WZEMNJALBKZSKF-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1C ZINC000548220757 564538215 /nfs/dbraw/zinc/53/82/15/564538215.db2.gz JRDSDBGPZSXQFF-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)(C(=O)[O-])C1(C)C ZINC000548357552 564550151 /nfs/dbraw/zinc/55/01/51/564550151.db2.gz UJGOZGXLUFKPHK-IAQYHMDHSA-N -2 3 396.292 2.930 20 0 GFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000518383111 564552598 /nfs/dbraw/zinc/55/25/98/564552598.db2.gz HDERFPIQEFIZNG-SECBINFHSA-N -2 3 384.679 2.738 20 0 GFADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1 ZINC000548527681 564555540 /nfs/dbraw/zinc/55/55/40/564555540.db2.gz WHWISUVHKFQVKU-UHFFFAOYSA-N -2 3 383.809 2.555 20 0 GFADHL COC(=O)c1ccccc1CS(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000548525080 564555733 /nfs/dbraw/zinc/55/57/33/564555733.db2.gz LXXJCLISAAFSKH-UHFFFAOYSA-N -2 3 383.809 2.767 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c1Cl ZINC000548536593 564557265 /nfs/dbraw/zinc/55/72/65/564557265.db2.gz YMRWRCQTUPYWTO-UHFFFAOYSA-N -2 3 381.262 2.935 20 0 GFADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000548540428 564557387 /nfs/dbraw/zinc/55/73/87/564557387.db2.gz NBQFUOFLBWOTEY-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548545365 564558117 /nfs/dbraw/zinc/55/81/17/564558117.db2.gz NCJNJAHNVGFAHH-JTQLQIEISA-N -2 3 382.251 2.756 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1OC ZINC000521677537 564634527 /nfs/dbraw/zinc/63/45/27/564634527.db2.gz MNOVJDLMDPHRMN-UHFFFAOYSA-N -2 3 375.399 2.712 20 0 GFADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000551240821 564643993 /nfs/dbraw/zinc/64/39/93/564643993.db2.gz BIZOZWFZSMZEKX-PELKAZGASA-N -2 3 384.281 2.929 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000573872828 564657686 /nfs/dbraw/zinc/65/76/86/564657686.db2.gz LMGDKEQMVCTCEM-UHFFFAOYSA-N -2 3 391.779 2.804 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000574499896 564676560 /nfs/dbraw/zinc/67/65/60/564676560.db2.gz OWRKJHVSDKZXOL-STQMWFEESA-N -2 3 391.287 2.546 20 0 GFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000575411925 564698645 /nfs/dbraw/zinc/69/86/45/564698645.db2.gz PWBGKHUSNWWZMC-LLVKDONJSA-N -2 3 384.679 2.880 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)CC(=O)[O-] ZINC000576057813 564705517 /nfs/dbraw/zinc/70/55/17/564705517.db2.gz MERZMVGBYMAOJC-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000576609888 564716335 /nfs/dbraw/zinc/71/63/35/564716335.db2.gz AZJZTJZCKFWXEU-SFYZADRCSA-N -2 3 382.663 2.634 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC1(OC)CCCCC1 ZINC000580643980 564767526 /nfs/dbraw/zinc/76/75/26/564767526.db2.gz GAYJAEDUQMRISN-UHFFFAOYSA-N -2 3 391.873 2.674 20 0 GFADHL O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000555426798 564793404 /nfs/dbraw/zinc/79/34/04/564793404.db2.gz ZSIYPJMHTNEYIF-IUODEOHRSA-N -2 3 393.864 2.542 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)sc1Cl ZINC000530381868 564879571 /nfs/dbraw/zinc/87/95/71/564879571.db2.gz KFQDFDUDQIZYHF-HNNXBMFYSA-N -2 3 399.881 2.565 20 0 GFADHL O=C(CNC(=O)c1cccc([O-])c1)Nc1c([O-])cc(Br)cc1Cl ZINC000560503822 564965521 /nfs/dbraw/zinc/96/55/21/564965521.db2.gz QGIGOQRZGIXEPY-UHFFFAOYSA-N -2 3 399.628 2.882 20 0 GFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C(=O)[O-] ZINC000534880507 564999216 /nfs/dbraw/zinc/99/92/16/564999216.db2.gz OJLKLCOHFGYIOG-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000562273852 565022773 /nfs/dbraw/zinc/02/27/73/565022773.db2.gz ZOFOQMXAJYCLTI-JTQLQIEISA-N -2 3 397.371 2.880 20 0 GFADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000562643954 565037744 /nfs/dbraw/zinc/03/77/44/565037744.db2.gz QRGVWDOMNBBUSC-ZYHUDNBSSA-N -2 3 380.388 2.802 20 0 GFADHL Cc1nc(C=Cc2cnc3ccc(Br)cn23)[n-]c(=O)c1CC(=O)[O-] ZINC000504728430 565043791 /nfs/dbraw/zinc/04/37/91/565043791.db2.gz CJVFCBWKNLZZFV-ONEGZZNKSA-N -2 3 389.209 2.698 20 0 GFADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000562967176 565049928 /nfs/dbraw/zinc/04/99/28/565049928.db2.gz BFJOUFQKDQSLSF-GWCFXTLKSA-N -2 3 391.287 2.546 20 0 GFADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000562967187 565050088 /nfs/dbraw/zinc/05/00/88/565050088.db2.gz BFJOUFQKDQSLSF-GXFFZTMASA-N -2 3 391.287 2.546 20 0 GFADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000657144477 565077631 /nfs/dbraw/zinc/07/76/31/565077631.db2.gz KRCGDKRTPGADHD-SKDRFNHKSA-N -2 3 380.388 2.658 20 0 GFADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(F)(F)F ZINC000663293158 565407904 /nfs/dbraw/zinc/40/79/04/565407904.db2.gz BOAJGRVHRZALCS-MRVPVSSYSA-N -2 3 391.770 2.942 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000646046417 565585257 /nfs/dbraw/zinc/58/52/57/565585257.db2.gz ZVVDSKOBTIKSKF-AWEZNQCLSA-N -2 3 393.248 2.877 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)CC(=O)[O-] ZINC000669838080 565704698 /nfs/dbraw/zinc/70/46/98/565704698.db2.gz MAKDISLFMRUTHG-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000650427362 565820103 /nfs/dbraw/zinc/82/01/03/565820103.db2.gz HGSAIGNPXBSXHZ-SECBINFHSA-N -2 3 399.266 2.529 20 0 GFADHL COC1(C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])CCC1 ZINC000650431847 565821086 /nfs/dbraw/zinc/82/10/86/565821086.db2.gz FKHDUDRDQDKXAT-NSHDSACASA-N -2 3 382.265 2.684 20 0 GFADHL CC1(C)CCC[C@@]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)(C(=O)[O-])C1 ZINC000629335305 565845062 /nfs/dbraw/zinc/84/50/62/565845062.db2.gz RVLPUDCWDSQKDU-AWEZNQCLSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(F)cc1F ZINC000681573810 566112976 /nfs/dbraw/zinc/11/29/76/566112976.db2.gz BWXAIHXWQCBFQV-ZDUSSCGKSA-N -2 3 377.315 2.737 20 0 GFADHL COc1cc(OC)c([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)c(C(=O)[O-])c1 ZINC000656510601 566129928 /nfs/dbraw/zinc/12/99/28/566129928.db2.gz QGFHRCSFILBVSN-QMMMGPOBSA-N -2 3 385.360 2.732 20 0 GFADHL CC(C)O[C@@]1(CS(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[O-])CCOC1 ZINC000634789448 566177556 /nfs/dbraw/zinc/17/75/56/566177556.db2.gz ONSPPVMKMGOVFF-AWEZNQCLSA-N -2 3 383.388 2.737 20 0 GFADHL COC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])c(Br)cc2C)CCC1 ZINC000634792696 566178814 /nfs/dbraw/zinc/17/88/14/566178814.db2.gz CWSZDGWIJGSULA-UHFFFAOYSA-N -2 3 392.271 2.767 20 0 GFADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736531959 598909401 /nfs/dbraw/zinc/90/94/01/598909401.db2.gz NMOSSECFLYCGQD-UHFFFAOYSA-N -2 3 390.444 2.653 20 0 GFADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736531959 598909403 /nfs/dbraw/zinc/90/94/03/598909403.db2.gz NMOSSECFLYCGQD-UHFFFAOYSA-N -2 3 390.444 2.653 20 0 GFADHL CC(C)C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735758236 599025261 /nfs/dbraw/zinc/02/52/61/599025261.db2.gz YKVZYIGBRHTDBF-KRWDZBQOSA-N -2 3 399.476 2.502 20 0 GFADHL CC(C)C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735758236 599025264 /nfs/dbraw/zinc/02/52/64/599025264.db2.gz YKVZYIGBRHTDBF-KRWDZBQOSA-N -2 3 399.476 2.502 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736444488 599218131 /nfs/dbraw/zinc/21/81/31/599218131.db2.gz GFRFOVWVEZODGP-CYBMUJFWSA-N -2 3 379.486 2.668 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736444488 599218135 /nfs/dbraw/zinc/21/81/35/599218135.db2.gz GFRFOVWVEZODGP-CYBMUJFWSA-N -2 3 379.486 2.668 20 0 GFADHL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735913977 598451368 /nfs/dbraw/zinc/45/13/68/598451368.db2.gz FVUQINMHSDVTAT-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735913977 598451370 /nfs/dbraw/zinc/45/13/70/598451370.db2.gz FVUQINMHSDVTAT-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1n[nH]c2c1cccc2Cl ZINC000822223690 607380719 /nfs/dbraw/zinc/38/07/19/607380719.db2.gz GTMIJKRHFHTYPB-UHFFFAOYSA-N -2 3 389.828 2.506 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1n[nH]c2c1cccc2Cl ZINC000822223690 607380722 /nfs/dbraw/zinc/38/07/22/607380722.db2.gz GTMIJKRHFHTYPB-UHFFFAOYSA-N -2 3 389.828 2.506 20 0 GFADHL Cc1nc(C)c(CC(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)c(=O)[n-]1 ZINC000738846487 599702105 /nfs/dbraw/zinc/70/21/05/599702105.db2.gz COTLROGMSPRWMG-UHFFFAOYSA-N -2 3 398.444 2.726 20 0 GFADHL O=C([O-])N1CCC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000738640978 599743118 /nfs/dbraw/zinc/74/31/18/599743118.db2.gz SEIXBKOJYYKYTI-UHFFFAOYSA-N -2 3 397.678 2.523 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Br)o1 ZINC000740175020 599778236 /nfs/dbraw/zinc/77/82/36/599778236.db2.gz BXBITSSKQKEZIP-LLVKDONJSA-N -2 3 386.223 2.706 20 0 GFADHL O=C([O-])[C@H](CNC(=O)c1cc2c(cc1[O-])OCO2)Cc1cccc2ccccc21 ZINC000739404234 600181355 /nfs/dbraw/zinc/18/13/55/600181355.db2.gz UHBKAELVMXNSBY-HNNXBMFYSA-N -2 3 393.395 2.947 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000738546353 600489101 /nfs/dbraw/zinc/48/91/01/600489101.db2.gz VKFBKXMRALNSNU-UHFFFAOYSA-N -3 3 393.417 2.738 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c(F)cc1Br ZINC000740087624 600633219 /nfs/dbraw/zinc/63/32/19/600633219.db2.gz ILGUNDRWGFIMRH-UHFFFAOYSA-N -2 3 392.246 2.753 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)cs1 ZINC000833304344 600677042 /nfs/dbraw/zinc/67/70/42/600677042.db2.gz ZLPKBPVIGAAYSM-UHFFFAOYSA-N -2 3 384.410 2.513 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)ccc1C(=O)[O-] ZINC000285062932 600893769 /nfs/dbraw/zinc/89/37/69/600893769.db2.gz JMVKMYDRIRGMQR-HNNXBMFYSA-N -2 3 377.418 2.662 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000831939187 601214324 /nfs/dbraw/zinc/21/43/24/601214324.db2.gz DSHKUWVSPVIBCG-UHFFFAOYSA-N -2 3 395.380 2.952 20 0 GFADHL C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828251986 601231427 /nfs/dbraw/zinc/23/14/27/601231427.db2.gz OZUWSBQBZICPJO-CMPLNLGQSA-N -2 3 377.409 2.537 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOC2CCCCCC2)c1F ZINC000833294076 601237615 /nfs/dbraw/zinc/23/76/15/601237615.db2.gz NPRIVZWOKQPTCI-UHFFFAOYSA-N -2 3 377.409 2.681 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Cc1cccs1 ZINC000827507171 601238140 /nfs/dbraw/zinc/23/81/40/601238140.db2.gz BWLZDSLVKFTCGL-SECBINFHSA-N -2 3 375.418 2.882 20 0 GFADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)o1 ZINC000829412515 601251518 /nfs/dbraw/zinc/25/15/18/601251518.db2.gz VXCLLEOVGFUYIJ-BCTQVIJGSA-N -2 3 379.434 2.606 20 0 GFADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000831079286 601387923 /nfs/dbraw/zinc/38/79/23/601387923.db2.gz UELPWZHPZLZPKB-OAHLLOKOSA-N -2 3 397.836 2.539 20 0 GFADHL C/C(=C/COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000825758525 601415759 /nfs/dbraw/zinc/41/57/59/601415759.db2.gz KXOMKOOZQZVGRX-DEQJRXDXSA-N -2 3 383.400 2.828 20 0 GFADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000828672465 601480193 /nfs/dbraw/zinc/48/01/93/601480193.db2.gz SKPXPONAXAGEBW-AWEZNQCLSA-N -2 3 398.264 2.702 20 0 GFADHL O=C([O-])c1ccc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000833316199 601722529 /nfs/dbraw/zinc/72/25/29/601722529.db2.gz UMGXUGGPQXOPAQ-MRXNPFEDSA-N -2 3 387.363 2.578 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)CCCCC2)no1 ZINC000832996063 601835277 /nfs/dbraw/zinc/83/52/77/601835277.db2.gz OVEJZZFPXLSTDT-UHFFFAOYSA-N -2 3 399.856 2.868 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739040906 601993678 /nfs/dbraw/zinc/99/36/78/601993678.db2.gz XIWNVIZRMNSYQL-IUCAKERBSA-N -2 3 397.316 2.567 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000314980997 602141672 /nfs/dbraw/zinc/14/16/72/602141672.db2.gz GVBTVJHXZBSVGX-VIFPVBQESA-N -2 3 388.239 2.822 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccc(C#N)cc1 ZINC000320306152 602143917 /nfs/dbraw/zinc/14/39/17/602143917.db2.gz CDZHFUUMSIPOBK-MRVPVSSYSA-N -2 3 399.222 2.651 20 0 GFADHL CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000235217881 602156611 /nfs/dbraw/zinc/15/66/11/602156611.db2.gz FGAGSWZVKSLKGX-YUMQZZPRSA-N -2 3 398.300 2.693 20 0 GFADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCCC1 ZINC000233069176 602166446 /nfs/dbraw/zinc/16/64/46/602166446.db2.gz HYTJYGYQKNWTPY-UHFFFAOYSA-N -2 3 380.260 2.989 20 0 GFADHL CSc1cc2c(cc1[N-]C(=O)c1csc(CNC(=O)[O-])n1)OCCO2 ZINC000740021560 602701938 /nfs/dbraw/zinc/70/19/38/602701938.db2.gz LUJJTOQMZTVFQG-UHFFFAOYSA-N -2 3 381.435 2.656 20 0 GFADHL C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1[O-])N1CCc2sccc2C1 ZINC000738938576 602845885 /nfs/dbraw/zinc/84/58/85/602845885.db2.gz FQTZDFNHSUPARC-LLVKDONJSA-N -2 3 375.450 2.720 20 0 GFADHL O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000832485037 603130574 /nfs/dbraw/zinc/13/05/74/603130574.db2.gz ZTXJFVJBJIRIDU-KCJUWKMLSA-N -2 3 384.351 2.559 20 0 GFADHL Cc1cc([C@@H](C)OC(=O)CCNC(=O)c2ccc(C)cc2[O-])oc1C(=O)[O-] ZINC000832912191 604580062 /nfs/dbraw/zinc/58/00/62/604580062.db2.gz XJBYTRKFBRTUAE-GFCCVEGCSA-N -2 3 375.377 2.725 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c(Cl)c1 ZINC000327683134 604766744 /nfs/dbraw/zinc/76/67/44/604766744.db2.gz FGCIRYGQSNRTQR-UHFFFAOYSA-N -3 3 391.735 2.815 20 0 GFADHL O=C([O-])Nc1ccc(CNC(=O)CO[N-]C(=O)CCC2CCCCC2)cc1 ZINC000833286349 604795493 /nfs/dbraw/zinc/79/54/93/604795493.db2.gz QMGXWADUHWGYRK-UHFFFAOYSA-N -2 3 377.441 2.801 20 0 GFADHL COCc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000833725823 605041839 /nfs/dbraw/zinc/04/18/39/605041839.db2.gz HVFVVADKECDAGW-UHFFFAOYSA-N -2 3 379.434 2.877 20 0 GFADHL CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000833484430 605047926 /nfs/dbraw/zinc/04/79/26/605047926.db2.gz OHOFJZADTKLJQF-HNNXBMFYSA-N -2 3 385.482 2.561 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c1 ZINC000833733999 605240656 /nfs/dbraw/zinc/24/06/56/605240656.db2.gz YNFCOPWFRIEODE-UHFFFAOYSA-N -3 3 383.447 2.519 20 0 GFADHL CC(C)N(CCC(=O)[O-])C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000833497167 605755327 /nfs/dbraw/zinc/75/53/27/605755327.db2.gz RIWXIAHTGVOXNH-IBGZPJMESA-N -2 3 398.459 2.965 20 0 GFADHL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000819958795 606207573 /nfs/dbraw/zinc/20/75/73/606207573.db2.gz QGSFKXCNWXJVEC-UHFFFAOYSA-N -2 3 391.428 2.810 20 0 GFADHL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000819958795 606207574 /nfs/dbraw/zinc/20/75/74/606207574.db2.gz QGSFKXCNWXJVEC-UHFFFAOYSA-N -2 3 391.428 2.810 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000822152389 606637291 /nfs/dbraw/zinc/63/72/91/606637291.db2.gz HQNPNBHWSGTXAQ-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000822152389 606637292 /nfs/dbraw/zinc/63/72/92/606637292.db2.gz HQNPNBHWSGTXAQ-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000822223536 606788458 /nfs/dbraw/zinc/78/84/58/606788458.db2.gz AIWUIVCWDJEKCQ-UHFFFAOYSA-N -2 3 395.391 2.620 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000822259075 606864749 /nfs/dbraw/zinc/86/47/49/606864749.db2.gz LSHAJDYQCGWHFB-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000820541913 607110141 /nfs/dbraw/zinc/11/01/41/607110141.db2.gz JWOWLTNSSPSSEZ-GFCCVEGCSA-N -2 3 395.419 2.635 20 0 GFADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000820541913 607110142 /nfs/dbraw/zinc/11/01/42/607110142.db2.gz JWOWLTNSSPSSEZ-GFCCVEGCSA-N -2 3 395.419 2.635 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1-c1nn[n-]n1 ZINC000826303770 607816989 /nfs/dbraw/zinc/81/69/89/607816989.db2.gz DNFYXVPJBHJUHB-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000826279101 607924440 /nfs/dbraw/zinc/92/44/40/607924440.db2.gz FQMAQIYCLFBADX-ZDUSSCGKSA-N -2 3 391.497 2.587 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000826279101 607924441 /nfs/dbraw/zinc/92/44/41/607924441.db2.gz FQMAQIYCLFBADX-ZDUSSCGKSA-N -2 3 391.497 2.587 20 0 GFADHL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824284323 608266311 /nfs/dbraw/zinc/26/63/11/608266311.db2.gz DPKRKPSLNJQPTK-UHFFFAOYSA-N -2 3 389.485 2.643 20 0 GFADHL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824284323 608266313 /nfs/dbraw/zinc/26/63/13/608266313.db2.gz DPKRKPSLNJQPTK-UHFFFAOYSA-N -2 3 389.485 2.643 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824085535 609330330 /nfs/dbraw/zinc/33/03/30/609330330.db2.gz FUVRAETURKQSPF-GFCCVEGCSA-N -2 3 391.419 2.653 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)c1F ZINC000826303886 609371347 /nfs/dbraw/zinc/37/13/47/609371347.db2.gz KTAIYOLRHBAAIT-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824319137 609422173 /nfs/dbraw/zinc/42/21/73/609422173.db2.gz HAOBTTPSTJBWGQ-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824319137 609422174 /nfs/dbraw/zinc/42/21/74/609422174.db2.gz HAOBTTPSTJBWGQ-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825615826 609525682 /nfs/dbraw/zinc/52/56/82/609525682.db2.gz MHIAGMPTFHCFBE-UHFFFAOYSA-N -2 3 397.819 2.859 20 0 GFADHL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825615826 609525683 /nfs/dbraw/zinc/52/56/83/609525683.db2.gz MHIAGMPTFHCFBE-UHFFFAOYSA-N -2 3 397.819 2.859 20 0 GFADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826267557 609530464 /nfs/dbraw/zinc/53/04/64/609530464.db2.gz KQRBEFCZLZPTQW-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826267557 609530466 /nfs/dbraw/zinc/53/04/66/609530466.db2.gz KQRBEFCZLZPTQW-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837294369 660984216 /nfs/dbraw/zinc/98/42/16/660984216.db2.gz UJTABSUVUPNLJE-MRVPVSSYSA-N -2 3 399.694 2.523 20 0 GFADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000060838673 654833356 /nfs/dbraw/zinc/83/33/56/654833356.db2.gz JCBSWSPYONRYSV-UHFFFAOYSA-N -2 3 389.260 2.772 20 0 GFADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)o1 ZINC000134256297 654988448 /nfs/dbraw/zinc/98/84/48/654988448.db2.gz CYFAJNQSRSYNHX-UHFFFAOYSA-N -2 3 398.853 2.612 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3)cc2)n1 ZINC000102841818 655062383 /nfs/dbraw/zinc/06/23/83/655062383.db2.gz TYTFSABDEVVVGP-UHFFFAOYSA-N -2 3 376.825 2.595 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CN2CCCCC2)C(=O)[O-])c1Cl ZINC000275042762 655213443 /nfs/dbraw/zinc/21/34/43/655213443.db2.gz VVAFYYULRKETPW-GFCCVEGCSA-N -2 3 395.308 2.519 20 0 GFADHL CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000840891026 661199480 /nfs/dbraw/zinc/19/94/80/661199480.db2.gz UGCSMEDSDIMIRV-IUCAKERBSA-N -2 3 380.260 2.845 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)s1 ZINC000761238253 656004368 /nfs/dbraw/zinc/00/43/68/656004368.db2.gz OQGQEQCTNZAHMS-UHFFFAOYSA-N -2 3 394.243 2.826 20 0 GFADHL O=C([N-]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(F)(F)F ZINC000762570861 656049586 /nfs/dbraw/zinc/04/95/86/656049586.db2.gz MWVBACXFOLISIR-UHFFFAOYSA-N -2 3 376.331 2.805 20 0 GFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000776615428 656767753 /nfs/dbraw/zinc/76/77/53/656767753.db2.gz LRPSCRKLMFYMNI-LDYMZIIASA-N -2 3 382.251 2.756 20 0 GFADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)(CC(=O)[O-])C1 ZINC000776623695 656769663 /nfs/dbraw/zinc/76/96/63/656769663.db2.gz AACUWAHBXOFTFS-YMTOWFKASA-N -2 3 381.281 2.948 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776626140 656770281 /nfs/dbraw/zinc/77/02/81/656770281.db2.gz KNDMNDQZKZRDCX-SNVBAGLBSA-N -2 3 393.223 2.502 20 0 GFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000806634704 659838200 /nfs/dbraw/zinc/83/82/00/659838200.db2.gz KMYALHFLVFXNDU-WCBMZHEXSA-N -2 3 387.351 2.892 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC[C@H]2CC2(Cl)Cl)c(F)cc1F ZINC000844900816 661448320 /nfs/dbraw/zinc/44/83/20/661448320.db2.gz CNYONSZMAMRMKZ-ZETCQYMHSA-N -2 3 388.219 2.915 20 0 GFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000871979600 662748516 /nfs/dbraw/zinc/74/85/16/662748516.db2.gz QVYVCMMCDWZVAW-GZMMTYOYSA-N -2 3 387.401 2.533 20 0 GFADHL O=C([O-])[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3csc(-c4ccccc4)n3)[C@@H]2C1 ZINC000903537787 663787739 /nfs/dbraw/zinc/78/77/39/663787739.db2.gz BCQMPBQAAGUEEU-RQJABVFESA-N -2 3 378.475 2.588 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(=O)[O-])c1Cl ZINC000906000204 663906679 /nfs/dbraw/zinc/90/66/79/663906679.db2.gz HRKHYJIJPFPLBI-GXSJLCMTSA-N -2 3 382.265 2.602 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1cccs1 ZINC000125282002 551321524 /nfs/dbraw/zinc/32/15/24/551321524.db2.gz VFYNJARQYXBSDW-VIFPVBQESA-N -2 3 382.282 2.676 20 0 GFADHL CCOC(=O)c1cc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n[n-]1 ZINC000194689353 553027092 /nfs/dbraw/zinc/02/70/92/553027092.db2.gz NRJCWIZHYUEWNB-UHFFFAOYSA-N -2 3 378.237 2.835 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2ccc(Br)s2)c1 ZINC000219694896 553054535 /nfs/dbraw/zinc/05/45/35/553054535.db2.gz MSMWEFPTWALFLR-UHFFFAOYSA-N -2 3 396.309 2.791 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000262655512 553173402 /nfs/dbraw/zinc/17/34/02/553173402.db2.gz XAXCLEAHXKLYEP-CPCISQLKSA-N -2 3 384.679 2.880 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-] ZINC000315282558 563440093 /nfs/dbraw/zinc/44/00/93/563440093.db2.gz UQTPDXIZGBEVKS-UHFFFAOYSA-N -2 3 394.287 2.770 20 0 GFADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1Br ZINC000322556810 563449906 /nfs/dbraw/zinc/44/99/06/563449906.db2.gz CEDZNSHJFNLFKY-UHFFFAOYSA-N -2 3 398.234 2.883 20 0 GFADHL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433501217 563614396 /nfs/dbraw/zinc/61/43/96/563614396.db2.gz ZGJGOEOFVNTCCM-UHFFFAOYSA-N -3 3 386.223 2.962 20 0 GFADHL O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(F)cc(Br)c1[O-] ZINC000436863214 563683219 /nfs/dbraw/zinc/68/32/19/563683219.db2.gz JLCVQSJJENYHFB-UHFFFAOYSA-N -2 3 392.188 2.650 20 0 GFADHL O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(F)cc(Br)c1[O-] ZINC000436863214 563683220 /nfs/dbraw/zinc/68/32/20/563683220.db2.gz JLCVQSJJENYHFB-UHFFFAOYSA-N -2 3 392.188 2.650 20 0 GFADHL CSc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000509100629 564281960 /nfs/dbraw/zinc/28/19/60/564281960.db2.gz SFKZFEWJZVNLLW-UHFFFAOYSA-N -2 3 390.483 2.720 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1C(=O)[O-] ZINC000541927872 564295642 /nfs/dbraw/zinc/29/56/42/564295642.db2.gz OXTYFZDAFLVUMG-UHFFFAOYSA-N -2 3 381.303 2.923 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1F ZINC000509620173 564305439 /nfs/dbraw/zinc/30/54/39/564305439.db2.gz NXNWTHYUSICAKZ-UHFFFAOYSA-N -2 3 377.752 2.882 20 0 GFADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1ccc(C)o1 ZINC000566175152 564314658 /nfs/dbraw/zinc/31/46/58/564314658.db2.gz YRVXYGVQBVLXAI-CQSZACIVSA-N -2 3 387.841 2.996 20 0 GFADHL O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000566182759 564315575 /nfs/dbraw/zinc/31/55/75/564315575.db2.gz JPOZINFKCWIXFW-NSHDSACASA-N -2 3 380.388 2.802 20 0 GFADHL Cc1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c(=O)[n-]1 ZINC000509970649 564319742 /nfs/dbraw/zinc/31/97/42/564319742.db2.gz LWVGHWPQRUALRM-UHFFFAOYSA-N -2 3 381.763 2.641 20 0 GFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542840970 564328580 /nfs/dbraw/zinc/32/85/80/564328580.db2.gz QSEKCTBNJQSCHI-SNVBAGLBSA-N -2 3 382.251 2.756 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000567046002 564354661 /nfs/dbraw/zinc/35/46/61/564354661.db2.gz NEUAHKWYYSXGCZ-NSHDSACASA-N -2 3 392.861 2.992 20 0 GFADHL C[C@@H](Sc1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1)C(=O)[O-] ZINC000567091749 564357519 /nfs/dbraw/zinc/35/75/19/564357519.db2.gz CLTGROULDPMIIS-SECBINFHSA-N -2 3 387.401 2.572 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c(C)c1C(=O)[O-] ZINC000512725883 564409509 /nfs/dbraw/zinc/40/95/09/564409509.db2.gz RGEMWBNWMMTZEK-DEOSSOPVSA-N -2 3 381.475 2.681 20 0 GFADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c3ccc(Cl)cc3)cn21 ZINC000568847098 564437388 /nfs/dbraw/zinc/43/73/88/564437388.db2.gz DUKYXDYEBKWGCV-BONVTDFDSA-N -2 3 383.857 2.538 20 0 GFADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)sc1C(=O)[O-] ZINC000569453376 564464162 /nfs/dbraw/zinc/46/41/62/564464162.db2.gz WLJKEKQKVWDIIF-SSDOTTSWSA-N -2 3 395.384 2.603 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)Cc1cccc(Cl)c1 ZINC000547551319 564493608 /nfs/dbraw/zinc/49/36/08/564493608.db2.gz PSPPAVCCTQRQQG-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C1CCC1 ZINC000547589609 564499391 /nfs/dbraw/zinc/49/93/91/564499391.db2.gz UCTNLTVPWKVXKY-LLVKDONJSA-N -2 3 382.663 2.634 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000547609613 564502793 /nfs/dbraw/zinc/50/27/93/564502793.db2.gz UAAAONKTENYMMB-CYBMUJFWSA-N -2 3 388.898 2.643 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000547614300 564503114 /nfs/dbraw/zinc/50/31/14/564503114.db2.gz JWHBIJUZJLFTKB-UHFFFAOYSA-N -2 3 391.873 2.686 20 0 GFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000516561173 564505250 /nfs/dbraw/zinc/50/52/50/564505250.db2.gz WIVDOWNIRRPCMX-MGCOHNPYSA-N -2 3 381.372 2.596 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCc1csc(C(C)C)n1 ZINC000570448330 564506248 /nfs/dbraw/zinc/50/62/48/564506248.db2.gz VKEDEXRAUMEPGR-UHFFFAOYSA-N -2 3 390.508 2.556 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000570620074 564514696 /nfs/dbraw/zinc/51/46/96/564514696.db2.gz BMGZPXNKVURGLO-CYBMUJFWSA-N -2 3 392.264 2.875 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)c(F)c1 ZINC000548240940 564541436 /nfs/dbraw/zinc/54/14/36/564541436.db2.gz POGZXVHTVJINPN-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)c(Br)c1 ZINC000548245254 564542271 /nfs/dbraw/zinc/54/22/71/564542271.db2.gz HFGGEULMJPPWCM-UHFFFAOYSA-N -2 3 391.630 2.997 20 0 GFADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000548260514 564544364 /nfs/dbraw/zinc/54/43/64/564544364.db2.gz FUNZCGKHMQVDOZ-CMPLNLGQSA-N -2 3 384.866 2.771 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H](C)c1ccc(F)cc1F ZINC000571438395 564551719 /nfs/dbraw/zinc/55/17/19/564551719.db2.gz KFJUPWHRLKNBNJ-QMMMGPOBSA-N -2 3 391.417 2.815 20 0 GFADHL CC1([C@H]([N-]S(=O)(=O)c2ccc(Br)cn2)C(=O)[O-])CCCCC1 ZINC000548685665 564570155 /nfs/dbraw/zinc/57/01/55/564570155.db2.gz GJEZPZCULNACBV-GFCCVEGCSA-N -2 3 391.287 2.546 20 0 GFADHL COc1ccc([C@H]([N-]S(=O)(=O)c2ccccc2SC)C(=O)[O-])cc1F ZINC000520685554 564609884 /nfs/dbraw/zinc/60/98/84/564609884.db2.gz AGVHMGCRYYWDJD-HNNXBMFYSA-N -2 3 385.438 2.660 20 0 GFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551244537 564644076 /nfs/dbraw/zinc/64/40/76/564644076.db2.gz GGBROZDJHUMTFI-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000552139431 564678989 /nfs/dbraw/zinc/67/89/89/564678989.db2.gz GMSRIZAMRPPZKL-CJNGLKHVSA-N -2 3 381.475 2.893 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000552139433 564679254 /nfs/dbraw/zinc/67/92/54/564679254.db2.gz GMSRIZAMRPPZKL-XJKSGUPXSA-N -2 3 381.475 2.893 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000552139432 564679383 /nfs/dbraw/zinc/67/93/83/564679383.db2.gz GMSRIZAMRPPZKL-CZUORRHYSA-N -2 3 381.475 2.893 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000527300469 564737959 /nfs/dbraw/zinc/73/79/59/564737959.db2.gz GYKFFEBGTMCMAP-JTQLQIEISA-N -2 3 381.262 2.863 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1Cl ZINC000500306345 564950630 /nfs/dbraw/zinc/95/06/30/564950630.db2.gz RHHDDKIRVJCRRY-UHFFFAOYSA-N -2 3 383.809 2.539 20 0 GFADHL O=C(COCC(=O)Nc1ccc(Cl)cc1[O-])Nc1ccc(Cl)cc1[O-] ZINC000533970221 564976468 /nfs/dbraw/zinc/97/64/68/564976468.db2.gz OISUHUUZMDECHM-UHFFFAOYSA-N -2 3 385.203 2.998 20 0 GFADHL CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000562649442 565037730 /nfs/dbraw/zinc/03/77/30/565037730.db2.gz SYYNQXLDZWZEPY-QGZVFWFLSA-N -2 3 395.253 2.910 20 0 GFADHL Cc1nc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[n-]c(=O)c1C ZINC000537414904 565058264 /nfs/dbraw/zinc/05/82/64/565058264.db2.gz WIKXXYHQKGBYQK-LLVKDONJSA-N -2 3 381.479 2.534 20 0 GFADHL CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000592138942 565260476 /nfs/dbraw/zinc/26/04/76/565260476.db2.gz GTBKRCRQAHBQAB-ONGXEEELSA-N -2 3 379.525 2.798 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(C(=O)N=c2nc(CC(C)C)[n-]s2)cc1 ZINC000618347774 565292188 /nfs/dbraw/zinc/29/21/88/565292188.db2.gz RGXKGFWSAXBCHF-UHFFFAOYSA-N -2 3 382.511 2.563 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)[n-]1 ZINC000618906774 565321997 /nfs/dbraw/zinc/32/19/97/565321997.db2.gz WTNHWJDDPUCLRD-UHFFFAOYSA-N -2 3 381.307 2.545 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c[n-]1 ZINC000618906774 565321994 /nfs/dbraw/zinc/32/19/94/565321994.db2.gz WTNHWJDDPUCLRD-UHFFFAOYSA-N -2 3 381.307 2.545 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1)C1CC1 ZINC000647132572 565640345 /nfs/dbraw/zinc/64/03/45/565640345.db2.gz DARBQVDVAFFFJM-CYBMUJFWSA-N -2 3 392.271 2.622 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000650427014 565820142 /nfs/dbraw/zinc/82/01/42/565820142.db2.gz ZNTNSWKZHFPFCF-SSDOTTSWSA-N -2 3 382.663 2.634 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])c(Cl)c1Cl ZINC000650430878 565821612 /nfs/dbraw/zinc/82/16/12/565821612.db2.gz AJDHZRZJZKAXCR-VIFPVBQESA-N -2 3 382.265 2.781 20 0 GFADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000629296155 565837169 /nfs/dbraw/zinc/83/71/69/565837169.db2.gz WBLZSIVIJREFIS-SECBINFHSA-N -2 3 392.271 2.765 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cscc1Br)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000630446455 565903038 /nfs/dbraw/zinc/90/30/38/565903038.db2.gz SZLLDTSWPNTDHA-XHNCKOQMSA-N -2 3 396.328 2.924 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653492927 565969077 /nfs/dbraw/zinc/96/90/77/565969077.db2.gz DGJPRIDOQVQMLJ-INTQDDNPSA-N -2 3 380.388 2.514 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1Cl ZINC000608755269 566022071 /nfs/dbraw/zinc/02/20/71/566022071.db2.gz YBBNDKGYPNSUKX-UHFFFAOYSA-N -2 3 383.809 2.919 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000656716127 566157055 /nfs/dbraw/zinc/15/70/55/566157055.db2.gz CSSANNHVSZBVBV-JTQLQIEISA-N -2 3 387.401 2.615 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCOC(C)(C)C ZINC000656721883 566158063 /nfs/dbraw/zinc/15/80/63/566158063.db2.gz XVGQHXDQNWXKRD-UHFFFAOYSA-N -2 3 379.862 2.530 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)CC(=O)[O-] ZINC000683299048 566193477 /nfs/dbraw/zinc/19/34/77/566193477.db2.gz BXFQVESHGJNRAK-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736960272 598843211 /nfs/dbraw/zinc/84/32/11/598843211.db2.gz GUTKUMGFTSQADM-SNVBAGLBSA-N -2 3 377.401 2.514 20 0 GFADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736960272 598843213 /nfs/dbraw/zinc/84/32/13/598843213.db2.gz GUTKUMGFTSQADM-SNVBAGLBSA-N -2 3 377.401 2.514 20 0 GFADHL Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc(-c4nn[n-]n4)c3C)c2n1 ZINC000822280689 607255301 /nfs/dbraw/zinc/25/53/01/607255301.db2.gz WCKCIADLJJQFSW-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736444962 598977315 /nfs/dbraw/zinc/97/73/15/598977315.db2.gz IJWCAMMMHVMWEB-ZDUSSCGKSA-N -2 3 393.513 2.977 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736444962 598977316 /nfs/dbraw/zinc/97/73/16/598977316.db2.gz IJWCAMMMHVMWEB-ZDUSSCGKSA-N -2 3 393.513 2.977 20 0 GFADHL O=C(CCC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737824748 598415459 /nfs/dbraw/zinc/41/54/59/598415459.db2.gz SZUPHAUGQIJMQT-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL O=C(CCC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737824748 598415460 /nfs/dbraw/zinc/41/54/60/598415460.db2.gz SZUPHAUGQIJMQT-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)ccc1C(F)(F)F ZINC000822210483 599306728 /nfs/dbraw/zinc/30/67/28/599306728.db2.gz DRIRSGAZRUAOLQ-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2Cl)N2CCCC2)o1 ZINC000740175102 599766876 /nfs/dbraw/zinc/76/68/76/599766876.db2.gz FOEVJQGUODOMFE-AWEZNQCLSA-N -2 3 398.868 2.747 20 0 GFADHL COc1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000681556659 599895032 /nfs/dbraw/zinc/89/50/32/599895032.db2.gz SOCJDZPHRHHAKI-CQSZACIVSA-N -2 3 389.351 2.607 20 0 GFADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(F)cc1F ZINC000736160392 600097206 /nfs/dbraw/zinc/09/72/06/600097206.db2.gz CUQUCZLNHVUIPC-UHFFFAOYSA-N -2 3 388.323 2.561 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)c1C(=O)[O-] ZINC000738744796 600256724 /nfs/dbraw/zinc/25/67/24/600256724.db2.gz NZKIJJFOKDMYJL-CQSZACIVSA-N -2 3 390.461 2.719 20 0 GFADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000738568893 600444980 /nfs/dbraw/zinc/44/49/80/600444980.db2.gz NJBFQBUARXYWII-GFCCVEGCSA-N -2 3 389.260 2.844 20 0 GFADHL COc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)c1[O-] ZINC000738083115 600487319 /nfs/dbraw/zinc/48/73/19/600487319.db2.gz LBNRSFNQHHJOCJ-MRXNPFEDSA-N -2 3 398.415 2.732 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1C(=O)[O-] ZINC000048382675 600542332 /nfs/dbraw/zinc/54/23/32/600542332.db2.gz TZYMBLZSIDTMAG-UHFFFAOYSA-N -2 3 391.323 2.935 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000042796573 600543373 /nfs/dbraw/zinc/54/33/73/600543373.db2.gz GMLBAFDTPDXYSF-UHFFFAOYSA-N -3 3 385.781 2.546 20 0 GFADHL CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736868782 600633621 /nfs/dbraw/zinc/63/36/21/600633621.db2.gz AXMNGEMHCOEXAE-HTQZYQBOSA-N -2 3 382.251 2.999 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1C(=O)[O-] ZINC000730203768 600816379 /nfs/dbraw/zinc/81/63/79/600816379.db2.gz COCNEFXXLYODPE-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)CCCCC2)no1 ZINC000570423648 601214418 /nfs/dbraw/zinc/21/44/18/601214418.db2.gz HYKUXYNAQAXYPB-UHFFFAOYSA-N -2 3 393.465 2.831 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000833027452 601215253 /nfs/dbraw/zinc/21/52/53/601215253.db2.gz UFXHUEZARIALHD-UHFFFAOYSA-N -2 3 379.312 2.663 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CC2(c3ccccc3C)CCOCC2)cc1C(=O)[O-] ZINC000516647844 601218271 /nfs/dbraw/zinc/21/82/71/601218271.db2.gz FSGKFOIETPQLIB-UHFFFAOYSA-N -2 3 393.461 2.621 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(Br)c(F)c2)cc1C(=O)[O-] ZINC000833027389 601219187 /nfs/dbraw/zinc/21/91/87/601219187.db2.gz RYLWVBDVVDJOJR-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828251987 601231474 /nfs/dbraw/zinc/23/14/74/601231474.db2.gz OZUWSBQBZICPJO-JQWIXIFHSA-N -2 3 377.409 2.537 20 0 GFADHL COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832608310 601235045 /nfs/dbraw/zinc/23/50/45/601235045.db2.gz RBXPFBFGQDJQHP-UHFFFAOYSA-N -2 3 399.415 2.971 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C)c1 ZINC000831779865 601324972 /nfs/dbraw/zinc/32/49/72/601324972.db2.gz VMFDEWZGMBEDRK-YHYXMXQVSA-N -2 3 391.445 2.919 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000827753757 601384877 /nfs/dbraw/zinc/38/48/77/601384877.db2.gz DXIOFZGSOVNRFQ-NSHDSACASA-N -2 3 379.438 2.855 20 0 GFADHL CN(C)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])ccn1 ZINC000830631663 601473287 /nfs/dbraw/zinc/47/32/87/601473287.db2.gz WBHOAVYMTRHTRH-UHFFFAOYSA-N -2 3 389.355 2.665 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H]1Oc2ccccc2[C@H]1C ZINC000827760404 601523251 /nfs/dbraw/zinc/52/32/51/601523251.db2.gz JRQREUBVUDNNGV-KEYDSSBGSA-N -2 3 397.399 2.895 20 0 GFADHL CC[C@H](C)CSCc1nc(=O)c2c(CC(=O)[O-])c(C(=O)OC)sc2[n-]1 ZINC000828753127 601678345 /nfs/dbraw/zinc/67/83/45/601678345.db2.gz GFPDRNJNDCJHAY-QMMMGPOBSA-N -2 3 384.479 2.678 20 0 GFADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000761308168 601841716 /nfs/dbraw/zinc/84/17/16/601841716.db2.gz DCUIQHQEJKZXCP-CQSZACIVSA-N -2 3 387.841 2.860 20 0 GFADHL CCc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)CCCC2)no1 ZINC000830310195 601842531 /nfs/dbraw/zinc/84/25/31/601842531.db2.gz YGWDQAKDVKDJIC-UHFFFAOYSA-N -2 3 399.856 2.731 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1-c1nnn[n-]1 ZINC000826304141 607536917 /nfs/dbraw/zinc/53/69/17/607536917.db2.gz YDEXJVDXXASFBW-UHFFFAOYSA-N -2 3 396.432 2.995 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1-c1nn[n-]n1 ZINC000826304141 607536919 /nfs/dbraw/zinc/53/69/19/607536919.db2.gz YDEXJVDXXASFBW-UHFFFAOYSA-N -2 3 396.432 2.995 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739040901 601993495 /nfs/dbraw/zinc/99/34/95/601993495.db2.gz XIWNVIZRMNSYQL-BDAKNGLRSA-N -2 3 397.316 2.567 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000832904626 602113476 /nfs/dbraw/zinc/11/34/76/602113476.db2.gz WCUHANVFNOJYET-UHFFFAOYSA-N -3 3 378.406 2.917 20 0 GFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000550940453 602139969 /nfs/dbraw/zinc/13/99/69/602139969.db2.gz OADMECCHAQUWCU-HNNXBMFYSA-N -2 3 377.393 2.855 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)c(Br)o1 ZINC000761306932 602158793 /nfs/dbraw/zinc/15/87/93/602158793.db2.gz GHCVXSBWPRSKMM-VHSXEESVSA-N -2 3 392.271 2.987 20 0 GFADHL CCc1cc(=O)[n-]c(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)n1 ZINC000830224791 602236885 /nfs/dbraw/zinc/23/68/85/602236885.db2.gz WCILTQNPXKCOSS-INIZCTEOSA-N -2 3 380.242 2.597 20 0 GFADHL COc1cc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])ccc1NC(=O)[O-] ZINC000739869593 602256893 /nfs/dbraw/zinc/25/68/93/602256893.db2.gz ZDRODBQVXYSZFD-UHFFFAOYSA-N -2 3 387.392 2.558 20 0 GFADHL CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833636899 605211450 /nfs/dbraw/zinc/21/14/50/605211450.db2.gz DPAZRORHHLWWBK-HNNXBMFYSA-N -2 3 388.829 2.552 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c(C(=O)[O-])c1 ZINC000504608780 605325680 /nfs/dbraw/zinc/32/56/80/605325680.db2.gz XFYOOJFLKVCCCY-UHFFFAOYSA-N -2 3 387.360 2.838 20 0 GFADHL Cc1nc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000833754738 605412781 /nfs/dbraw/zinc/41/27/81/605412781.db2.gz GCWXCALUDGYGRN-AWEZNQCLSA-N -2 3 397.353 2.693 20 0 GFADHL O=C([O-])N1CCC(n2cc(C(=O)[N-]c3c(F)cc(Cl)cc3F)nn2)CC1 ZINC000834051284 605973336 /nfs/dbraw/zinc/97/33/36/605973336.db2.gz FYWSOUIOBQLVRU-UHFFFAOYSA-N -2 3 385.758 2.777 20 0 GFADHL C[C@@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820697710 606134754 /nfs/dbraw/zinc/13/47/54/606134754.db2.gz KUZBJNZTRPBRNW-MNOVXSKESA-N -2 3 397.888 2.541 20 0 GFADHL C[C@@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820697710 606134757 /nfs/dbraw/zinc/13/47/57/606134757.db2.gz KUZBJNZTRPBRNW-MNOVXSKESA-N -2 3 397.888 2.541 20 0 GFADHL CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000820897378 606468303 /nfs/dbraw/zinc/46/83/03/606468303.db2.gz BULWMSZLBCKBPJ-UHFFFAOYSA-N -2 3 393.498 2.731 20 0 GFADHL CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000820897378 606468304 /nfs/dbraw/zinc/46/83/04/606468304.db2.gz BULWMSZLBCKBPJ-UHFFFAOYSA-N -2 3 393.498 2.731 20 0 GFADHL CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820882243 606747610 /nfs/dbraw/zinc/74/76/10/606747610.db2.gz NFCKBWRCNJOJQY-CYBMUJFWSA-N -2 3 399.476 2.640 20 0 GFADHL CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820882243 606747611 /nfs/dbraw/zinc/74/76/11/606747611.db2.gz NFCKBWRCNJOJQY-CYBMUJFWSA-N -2 3 399.476 2.640 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000821308516 607032886 /nfs/dbraw/zinc/03/28/86/607032886.db2.gz CHTAQMUORDTESP-UHFFFAOYSA-N -2 3 395.448 2.648 20 0 GFADHL Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)c2)n1 ZINC000822402485 607113820 /nfs/dbraw/zinc/11/38/20/607113820.db2.gz BIKYUMXSJKQOAO-UHFFFAOYSA-N -2 3 396.432 2.939 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC1CCC(C)(C)CC1 ZINC000826279095 607778571 /nfs/dbraw/zinc/77/85/71/607778571.db2.gz FOYTYYBLRWVYKX-UHFFFAOYSA-N -2 3 391.497 2.587 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC1CCC(C)(C)CC1 ZINC000826279095 607778572 /nfs/dbraw/zinc/77/85/72/607778572.db2.gz FOYTYYBLRWVYKX-UHFFFAOYSA-N -2 3 391.497 2.587 20 0 GFADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000825875221 607879558 /nfs/dbraw/zinc/87/95/58/607879558.db2.gz FWIABCDPEZLLSI-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL O=C(c1ccc(Br)cc1[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826472373 607962123 /nfs/dbraw/zinc/96/21/23/607962123.db2.gz IUPYGMJVIHIPBQ-UHFFFAOYSA-N -2 3 386.209 2.538 20 0 GFADHL O=S(=O)([N-]c1ncccc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826493287 608161389 /nfs/dbraw/zinc/16/13/89/608161389.db2.gz CRVJEDXWCNMHEM-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL O=S(=O)([N-]c1ncccc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826493287 608161391 /nfs/dbraw/zinc/16/13/91/608161391.db2.gz CRVJEDXWCNMHEM-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL O=S(=O)([N-]c1cnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826493077 608529246 /nfs/dbraw/zinc/52/92/46/608529246.db2.gz SATMFAOCMOPVES-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL O=S(=O)([N-]c1cnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000826493077 608529247 /nfs/dbraw/zinc/52/92/47/608529247.db2.gz SATMFAOCMOPVES-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000824353044 609263131 /nfs/dbraw/zinc/26/31/31/609263131.db2.gz VWDGGNIXUAGHOA-UHFFFAOYSA-N -2 3 384.874 2.901 20 0 GFADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000824353044 609263132 /nfs/dbraw/zinc/26/31/32/609263132.db2.gz VWDGGNIXUAGHOA-UHFFFAOYSA-N -2 3 384.874 2.901 20 0 GFADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824029567 609522889 /nfs/dbraw/zinc/52/28/89/609522889.db2.gz NSJWGYZJZPGXAU-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824029567 609522891 /nfs/dbraw/zinc/52/28/91/609522891.db2.gz NSJWGYZJZPGXAU-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000042004819 654634267 /nfs/dbraw/zinc/63/42/67/654634267.db2.gz VVZFICDOUFVGOP-UHFFFAOYSA-N -2 3 375.324 2.970 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ncc(C)s2)cc1F ZINC000270577365 655049373 /nfs/dbraw/zinc/04/93/73/655049373.db2.gz AHRIFUZUTPBLFW-UHFFFAOYSA-N -2 3 393.487 2.543 20 0 GFADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2Cl)CC1 ZINC000577390663 655458545 /nfs/dbraw/zinc/45/85/45/655458545.db2.gz KJCVCGDVHNBWTR-UHFFFAOYSA-N -2 3 390.845 2.644 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c[nH]c1=O ZINC000756939479 655907282 /nfs/dbraw/zinc/90/72/82/655907282.db2.gz OVERMUPLPBOLOM-UHFFFAOYSA-N -2 3 377.205 2.901 20 0 GFADHL CSCCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761306100 656009655 /nfs/dbraw/zinc/00/96/55/656009655.db2.gz YOZCSMCYGJXLDS-UHFFFAOYSA-N -2 3 388.330 2.630 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc([S@@](=O)C(F)(F)F)cc2)c1 ZINC000775676421 656662679 /nfs/dbraw/zinc/66/26/79/656662679.db2.gz SZGKQJYUIZGFQW-XMMPIXPASA-N -2 3 395.380 2.829 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)Cc1cccc(Cl)c1 ZINC000776532786 656753067 /nfs/dbraw/zinc/75/30/67/656753067.db2.gz GTOPFYLQXUEDTG-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776615538 656767684 /nfs/dbraw/zinc/76/76/84/656767684.db2.gz YCUDDYZKKZIRCA-NSHDSACASA-N -2 3 389.260 2.753 20 0 GFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000776615490 656767794 /nfs/dbraw/zinc/76/77/94/656767794.db2.gz MCXDIDZOGGGZOO-SDBXPKJASA-N -2 3 394.852 2.605 20 0 GFADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)(CC(=O)[O-])C1 ZINC000776626605 656771054 /nfs/dbraw/zinc/77/10/54/656771054.db2.gz OHGFMLDGXGWWNJ-OTYXRUKQSA-N -2 3 381.281 2.948 20 0 GFADHL Cc1nc(C=Cc2c(Cl)n(C)nc2C(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000794711894 658601618 /nfs/dbraw/zinc/60/16/18/658601618.db2.gz GIFNMYDRGYLPSU-ARJAWSKDSA-N -2 3 376.722 2.694 20 0 GFADHL Cc1nc(C=Cc2ccccc2I)[n-]c(=O)c1CC(=O)[O-] ZINC000794711258 658602003 /nfs/dbraw/zinc/60/20/03/658602003.db2.gz BVBYVCOVTPTSOE-SREVYHEPSA-N -2 3 396.184 2.893 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000797427974 659019980 /nfs/dbraw/zinc/01/99/80/659019980.db2.gz MFYHWGDUEPDYON-JTQLQIEISA-N -2 3 382.663 2.634 20 0 GFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000798409036 659099940 /nfs/dbraw/zinc/09/99/40/659099940.db2.gz ONCFFCSPASZYSD-WPRPVWTQSA-N -2 3 382.251 2.756 20 0 GFADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000806640694 659838724 /nfs/dbraw/zinc/83/87/24/659838724.db2.gz SLIIACSGLJLOLF-SNVBAGLBSA-N -2 3 382.663 2.634 20 0 GFADHL C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000809150803 659918555 /nfs/dbraw/zinc/91/85/55/659918555.db2.gz MEROJXFGKXJVLK-VXJOIVPMSA-N -2 3 385.800 2.978 20 0 GFADHL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000844788295 661439602 /nfs/dbraw/zinc/43/96/02/661439602.db2.gz XIUJMIAGMKHPPQ-SECBINFHSA-N -2 3 387.763 2.617 20 0 GFADHL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc([O-])c1Br ZINC000882734591 663038947 /nfs/dbraw/zinc/03/89/47/663038947.db2.gz DQCIRHCSJGAYJN-NSHDSACASA-N -2 3 380.260 2.628 20 0 GFADHL CCO[C@@H]1C[C@](NC(=O)c2cc([O-])cc(Br)c2)(C(=O)[O-])C1(C)C ZINC000909600160 664164901 /nfs/dbraw/zinc/16/49/01/664164901.db2.gz FAVSXZBXXFWBDE-WBMJQRKESA-N -2 3 386.242 2.543 20 0 GFADHL O=S(=O)([O-])c1cc([O-])c2c(c1)cc(S(=O)(=O)[O-])cc2Nc1ccccc1 ZINC000090711504 211187206 /nfs/dbraw/zinc/18/72/06/211187206.db2.gz VLRYLEVQHPQKBV-UHFFFAOYSA-N -3 3 395.414 2.782 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000020302216 551115823 /nfs/dbraw/zinc/11/58/23/551115823.db2.gz QRMCUJDWBJKWKI-CPCISQLKSA-N -2 3 384.679 2.880 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000148238248 551398406 /nfs/dbraw/zinc/39/84/06/551398406.db2.gz YTFPVJYDFSDNCS-UHFFFAOYSA-N -2 3 382.398 2.561 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000165042327 551628470 /nfs/dbraw/zinc/62/84/70/551628470.db2.gz YUAHIVOIRJAEQL-UHFFFAOYSA-N -2 3 384.317 2.988 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000230918190 553066474 /nfs/dbraw/zinc/06/64/74/553066474.db2.gz VCQBHKHWQMIVBE-SFYZADRCSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)c1 ZINC000238146128 553086226 /nfs/dbraw/zinc/08/62/26/553086226.db2.gz VRSSASZIQGKXFT-UHFFFAOYSA-N -2 3 394.243 2.826 20 0 GFADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000242730139 553087783 /nfs/dbraw/zinc/08/77/83/553087783.db2.gz DCMNVELPUCKCED-UHFFFAOYSA-N -2 3 384.479 2.646 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c(Cl)c1Cl ZINC000262437396 553170826 /nfs/dbraw/zinc/17/08/26/553170826.db2.gz PFUCIPVYQAFPEX-UHFFFAOYSA-N -2 3 382.265 2.924 20 0 GFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000312498238 563437029 /nfs/dbraw/zinc/43/70/29/563437029.db2.gz JXKHMVMDTIYJAC-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000323965949 563451750 /nfs/dbraw/zinc/45/17/50/563451750.db2.gz BPYJVVDYDSGSMV-PELKAZGASA-N -2 3 384.281 2.929 20 0 GFADHL Cc1sc(Br)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000380620264 563515247 /nfs/dbraw/zinc/51/52/47/563515247.db2.gz RWJHBGRSFLNKAA-YFKPBYRVSA-N -2 3 396.206 2.503 20 0 GFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000436479578 563671702 /nfs/dbraw/zinc/67/17/02/563671702.db2.gz UVIYGURAKUQUKD-UHFFFAOYSA-N -2 3 377.752 2.911 20 0 GFADHL O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1ccc(Cl)cc1[O-] ZINC000436566862 563674221 /nfs/dbraw/zinc/67/42/21/563674221.db2.gz VXCAFADWVYZKIY-UHFFFAOYSA-N -2 3 382.825 2.543 20 0 GFADHL Cn1c2cc([O-])c(NC(=O)c3c([O-])cc(Cl)cc3Cl)cc2n(C)c1=O ZINC000436617659 563675237 /nfs/dbraw/zinc/67/52/37/563675237.db2.gz IXVJIEDPOJMILN-UHFFFAOYSA-N -2 3 382.203 2.847 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000564141557 564221803 /nfs/dbraw/zinc/22/18/03/564221803.db2.gz BADGCSLWAJUNHK-WCQYABFASA-N -2 3 393.889 2.531 20 0 GFADHL C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000564917320 564257347 /nfs/dbraw/zinc/25/73/47/564257347.db2.gz PHNVGIPHGANTIX-QMMMGPOBSA-N -2 3 394.396 2.770 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccn1 ZINC000565516180 564284540 /nfs/dbraw/zinc/28/45/40/564284540.db2.gz GTQACXLNCJRHHL-JTQLQIEISA-N -2 3 389.260 2.610 20 0 GFADHL O=S(=O)([N-]Cc1ncccc1[O-])c1c(Cl)cccc1Br ZINC000509238439 564288665 /nfs/dbraw/zinc/28/86/65/564288665.db2.gz VZVXBAFMYOZQLO-UHFFFAOYSA-N -2 3 377.647 2.682 20 0 GFADHL CC(C)c1nnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])s1 ZINC000451299111 564297775 /nfs/dbraw/zinc/29/77/75/564297775.db2.gz REULRYVYONHKSK-UHFFFAOYSA-N -2 3 381.401 2.864 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1C(=O)[O-] ZINC000543790729 564363658 /nfs/dbraw/zinc/36/36/58/564363658.db2.gz XJMHXHWSYBJECQ-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000568389528 564416291 /nfs/dbraw/zinc/41/62/91/564416291.db2.gz NNQCVDLUYKGILB-HNNXBMFYSA-N -2 3 375.830 2.553 20 0 GFADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)CCC2)n1 ZINC000546959692 564475407 /nfs/dbraw/zinc/47/54/07/564475407.db2.gz HMYBNENREJWFBF-UHFFFAOYSA-N -2 3 384.454 2.955 20 0 GFADHL O=S(=O)([N-]Cc1ncccc1[O-])c1cccc(Cl)c1Br ZINC000480750611 564486365 /nfs/dbraw/zinc/48/63/65/564486365.db2.gz OQQGGNNUGWJPAP-UHFFFAOYSA-N -2 3 377.647 2.682 20 0 GFADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000547562745 564494130 /nfs/dbraw/zinc/49/41/30/564494130.db2.gz MJQSLYOEFFKFLJ-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547565795 564494911 /nfs/dbraw/zinc/49/49/11/564494911.db2.gz PKTLKFFKLHBDAF-OCCSQVGLSA-N -2 3 394.262 2.900 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000547612671 564502393 /nfs/dbraw/zinc/50/23/93/564502393.db2.gz IBGRMGMJMHVUAK-LBPRGKRZSA-N -2 3 378.834 2.602 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(F)cccc2F)c(F)cc1F ZINC000547615111 564503189 /nfs/dbraw/zinc/50/31/89/564503189.db2.gz LWNRYVSRWJJLIT-CQSZACIVSA-N -2 3 377.315 2.656 20 0 GFADHL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(OC)cc1Cl ZINC000481437460 564512303 /nfs/dbraw/zinc/51/23/03/564512303.db2.gz PVGLQZXEIQPZDN-UHFFFAOYSA-N -3 3 387.797 2.562 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000547869279 564514347 /nfs/dbraw/zinc/51/43/47/564514347.db2.gz DNDBBZKRCQZYKY-BXUZGUMPSA-N -2 3 387.479 2.580 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c(O)c1 ZINC000547865763 564514357 /nfs/dbraw/zinc/51/43/57/564514357.db2.gz XDDYYXJOBQUQED-UHFFFAOYSA-N -2 3 386.223 2.795 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c([O-])c1 ZINC000547865763 564514362 /nfs/dbraw/zinc/51/43/62/564514362.db2.gz XDDYYXJOBQUQED-UHFFFAOYSA-N -3 3 386.223 2.795 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])cc1Cl ZINC000547889672 564516651 /nfs/dbraw/zinc/51/66/51/564516651.db2.gz QDMGXQVYAZBVGC-JSGCOSHPSA-N -2 3 382.265 2.924 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)ccc1[O-] ZINC000481564212 564516792 /nfs/dbraw/zinc/51/67/92/564516792.db2.gz BYEXLSKEIGPAPJ-UHFFFAOYSA-N -3 3 384.797 2.503 20 0 GFADHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000547893114 564516948 /nfs/dbraw/zinc/51/69/48/564516948.db2.gz XTNNHTICMILHNV-LBPRGKRZSA-N -2 3 394.262 2.900 20 0 GFADHL C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@@H]1C ZINC000481601565 564517603 /nfs/dbraw/zinc/51/76/03/564517603.db2.gz UEDLBDGGUZVNAG-UPJWGTAASA-N -2 3 392.518 2.548 20 0 GFADHL CSCC[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000547910782 564520007 /nfs/dbraw/zinc/52/00/07/564520007.db2.gz STIBLIOSCRJDGK-NSHDSACASA-N -2 3 377.871 2.879 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000547936433 564523437 /nfs/dbraw/zinc/52/34/37/564523437.db2.gz HFKHZGQJKSOUJJ-NSHDSACASA-N -2 3 382.265 2.542 20 0 GFADHL Cc1nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c[nH]1 ZINC000547939642 564524690 /nfs/dbraw/zinc/52/46/90/564524690.db2.gz IZZCWWHOHCOHIC-NSHDSACASA-N -2 3 378.237 2.519 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]C[C@@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000548202898 564535917 /nfs/dbraw/zinc/53/59/17/564535917.db2.gz CIGGWOOTZPPZAG-LLVKDONJSA-N -2 3 389.882 2.632 20 0 GFADHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548217368 564538450 /nfs/dbraw/zinc/53/84/50/564538450.db2.gz MXMVPWSFQUEZKK-GFCCVEGCSA-N -2 3 394.262 2.900 20 0 GFADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)(C(=O)[O-])C1(C)C ZINC000548357553 564549858 /nfs/dbraw/zinc/54/98/58/564549858.db2.gz UJGOZGXLUFKPHK-NHYWBVRUSA-N -2 3 396.292 2.930 20 0 GFADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000548540429 564557482 /nfs/dbraw/zinc/55/74/82/564557482.db2.gz NBQFUOFLBWOTEY-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1c(F)cccc1F ZINC000548588110 564564635 /nfs/dbraw/zinc/56/46/35/564564635.db2.gz HOPIZCJEDUELEU-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)s1 ZINC000548596196 564565573 /nfs/dbraw/zinc/56/55/73/564565573.db2.gz GILIRJPGUAWECY-UHFFFAOYSA-N -2 3 382.301 2.742 20 0 GFADHL O=C([O-])[C@H](CCC[N-]S(=O)(=O)c1cncc(Cl)c1)Cc1ccccc1 ZINC000573417754 564636484 /nfs/dbraw/zinc/63/64/84/564636484.db2.gz UZBMINOMKIKHSW-CQSZACIVSA-N -2 3 382.869 2.737 20 0 GFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551241257 564643865 /nfs/dbraw/zinc/64/38/65/564643865.db2.gz HTDZGNJGJHLUAA-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)c(F)cc1Br ZINC000573575110 564644418 /nfs/dbraw/zinc/64/44/18/564644418.db2.gz LYGUNEZTWDBESZ-NSHDSACASA-N -2 3 382.251 2.674 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)s1 ZINC000573834643 564655817 /nfs/dbraw/zinc/65/58/17/564655817.db2.gz CJSXOORHLYNWKG-WCBMZHEXSA-N -2 3 384.317 2.843 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCC1 ZINC000574658433 564683427 /nfs/dbraw/zinc/68/34/27/564683427.db2.gz LAABOGZSNNIMDX-UHFFFAOYSA-N -2 3 382.663 2.636 20 0 GFADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000526059643 564718135 /nfs/dbraw/zinc/71/81/35/564718135.db2.gz MYMHWJPWCJEZJK-JSGCOSHPSA-N -2 3 385.869 2.827 20 0 GFADHL O=C([O-])[C@@H](CCSc1ccccc1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000577112709 564725176 /nfs/dbraw/zinc/72/51/76/564725176.db2.gz BRZQMIDWMMLSMU-OAHLLOKOSA-N -2 3 387.429 2.879 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000577607350 564737322 /nfs/dbraw/zinc/73/73/22/564737322.db2.gz KVQAFPLNKQHLOV-LBPRGKRZSA-N -2 3 376.793 2.578 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000578354161 564743087 /nfs/dbraw/zinc/74/30/87/564743087.db2.gz PYBDVVWUQHCOED-QMMMGPOBSA-N -2 3 390.870 2.851 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000581545816 564807014 /nfs/dbraw/zinc/80/70/14/564807014.db2.gz COIZCLOLNLQCOR-GXTWGEPZSA-N -2 3 387.866 2.908 20 0 GFADHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-])C1CC1 ZINC000558686659 564911354 /nfs/dbraw/zinc/91/13/54/564911354.db2.gz VNRFKKMUOISCAT-MADCSZMMSA-N -2 3 396.690 2.880 20 0 GFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000560480959 564964827 /nfs/dbraw/zinc/96/48/27/564964827.db2.gz FGDYWHWCBQHPPF-AAEUAGOBSA-N -2 3 393.889 2.675 20 0 GFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000560480960 564964949 /nfs/dbraw/zinc/96/49/49/564964949.db2.gz FGDYWHWCBQHPPF-DGCLKSJQSA-N -2 3 393.889 2.675 20 0 GFADHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cccc(Br)c1[O-] ZINC000560730100 564973830 /nfs/dbraw/zinc/97/38/30/564973830.db2.gz YBOKYWRNSFZFCR-UHFFFAOYSA-N -2 3 375.182 2.898 20 0 GFADHL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000561699655 565005968 /nfs/dbraw/zinc/00/59/68/565005968.db2.gz RTWIYHSCPMFDIJ-UHFFFAOYSA-N -2 3 393.487 2.578 20 0 GFADHL CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000536988629 565050927 /nfs/dbraw/zinc/05/09/27/565050927.db2.gz IHLLHOGRADEUCO-UHFFFAOYSA-N -2 3 393.845 2.530 20 0 GFADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000641685852 565393825 /nfs/dbraw/zinc/39/38/25/565393825.db2.gz OFBVVGDUCZPOPX-QWHCGFSZSA-N -2 3 392.271 2.847 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCC1 ZINC000663257675 565404049 /nfs/dbraw/zinc/40/40/49/565404049.db2.gz XNTBGHFQJZMBMC-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C1CCC1 ZINC000663254579 565404240 /nfs/dbraw/zinc/40/42/40/565404240.db2.gz AWTJGMDLDFUGRK-SECBINFHSA-N -2 3 382.301 2.598 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000666157600 565524446 /nfs/dbraw/zinc/52/44/46/565524446.db2.gz KYRRZQCJMCUXSQ-CYBMUJFWSA-N -2 3 382.251 2.676 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CCc2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000645955902 565577751 /nfs/dbraw/zinc/57/77/51/565577751.db2.gz RUHRORUZQDQMKN-UHFFFAOYSA-N -2 3 377.340 2.826 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000645994135 565581515 /nfs/dbraw/zinc/58/15/15/565581515.db2.gz ZHXJGZAYYHMTEP-BMIGLBTASA-N -2 3 381.475 2.975 20 0 GFADHL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1 ZINC000647919219 565683098 /nfs/dbraw/zinc/68/30/98/565683098.db2.gz ROVYRRGNHWJNBM-UHFFFAOYSA-N -2 3 383.809 2.894 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1sc(Br)cc1C)C(=O)[O-] ZINC000650231474 565808264 /nfs/dbraw/zinc/80/82/64/565808264.db2.gz PSMZWAPEVZVSGO-UHFFFAOYSA-N -2 3 384.317 2.988 20 0 GFADHL Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-] ZINC000650231386 565808738 /nfs/dbraw/zinc/80/87/38/565808738.db2.gz NCYNNBRGVLOHIX-VIFPVBQESA-N -2 3 384.317 2.844 20 0 GFADHL COC1(C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)[O-])CCC1 ZINC000650431940 565821538 /nfs/dbraw/zinc/82/15/38/565821538.db2.gz HYYAGHOZEXQPBO-SNVBAGLBSA-N -2 3 382.265 2.684 20 0 GFADHL Cc1cc(Br)c(C(=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000629304587 565840325 /nfs/dbraw/zinc/84/03/25/565840325.db2.gz SLNLOCQYWBYYEA-VIFPVBQESA-N -2 3 392.271 2.765 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2CC(F)(F)F)cc1C(=O)[O-] ZINC000629346774 565846577 /nfs/dbraw/zinc/84/65/77/565846577.db2.gz VDFKLUUPGTWJJY-UHFFFAOYSA-N -2 3 377.340 2.870 20 0 GFADHL CC(C)(C)[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000675986570 565921707 /nfs/dbraw/zinc/92/17/07/565921707.db2.gz UBBQOEXKVXUDDK-CYBMUJFWSA-N -2 3 381.226 2.520 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000681572729 566113493 /nfs/dbraw/zinc/11/34/93/566113493.db2.gz VNVSAVZRIDKCDP-CYBMUJFWSA-N -2 3 385.873 2.654 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC[C@]1(C)CC1(F)F ZINC000656728990 566159398 /nfs/dbraw/zinc/15/93/98/566159398.db2.gz MKIPWRQRSZNFER-CYBMUJFWSA-N -2 3 383.800 2.761 20 0 GFADHL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735915194 598844511 /nfs/dbraw/zinc/84/45/11/598844511.db2.gz LGPCPSHYGZZBJW-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735915194 598844513 /nfs/dbraw/zinc/84/45/13/598844513.db2.gz LGPCPSHYGZZBJW-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)c2n1 ZINC000737373471 598932338 /nfs/dbraw/zinc/93/23/38/598932338.db2.gz HVXFRYPLKNXLNY-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737282944 598594022 /nfs/dbraw/zinc/59/40/22/598594022.db2.gz LOLZGKBVFRIFHG-UHFFFAOYSA-N -2 3 384.396 2.663 20 0 GFADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737282944 598594024 /nfs/dbraw/zinc/59/40/24/598594024.db2.gz LOLZGKBVFRIFHG-UHFFFAOYSA-N -2 3 384.396 2.663 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000820178684 607375453 /nfs/dbraw/zinc/37/54/53/607375453.db2.gz XMARYEXPLNYIRF-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000820178684 607375455 /nfs/dbraw/zinc/37/54/55/607375455.db2.gz XMARYEXPLNYIRF-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)c(Cl)c1[O-] ZINC000823242284 599491438 /nfs/dbraw/zinc/49/14/38/599491438.db2.gz TVVMASQAZVLALN-UHFFFAOYSA-N -2 3 382.182 2.948 20 0 GFADHL O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)c(Cl)c1[O-] ZINC000823242284 599491441 /nfs/dbraw/zinc/49/14/41/599491441.db2.gz TVVMASQAZVLALN-UHFFFAOYSA-N -2 3 382.182 2.948 20 0 GFADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821049224 599624866 /nfs/dbraw/zinc/62/48/66/599624866.db2.gz JBLYQBXPWGFERC-ZDUSSCGKSA-N -2 3 379.486 2.587 20 0 GFADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821049224 599624867 /nfs/dbraw/zinc/62/48/67/599624867.db2.gz JBLYQBXPWGFERC-ZDUSSCGKSA-N -2 3 379.486 2.587 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000740175656 599777394 /nfs/dbraw/zinc/77/73/94/599777394.db2.gz RKDIPRJOAQELIN-MWLCHTKSSA-N -2 3 375.324 2.831 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)C(=O)[O-])c2)cc1 ZINC000262535861 599779462 /nfs/dbraw/zinc/77/94/62/599779462.db2.gz QFUSIGFCXUSYLB-CQSZACIVSA-N -2 3 390.461 2.555 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)ccc1C(=O)[O-] ZINC000476741137 599925011 /nfs/dbraw/zinc/92/50/11/599925011.db2.gz QTBMARKSKDJCOM-UHFFFAOYSA-N -3 3 393.417 2.574 20 0 GFADHL O=C([O-])c1ccccc1NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000738470915 600109778 /nfs/dbraw/zinc/10/97/78/600109778.db2.gz OCXKSQVXMIRTCG-UHFFFAOYSA-N -2 3 394.177 2.648 20 0 GFADHL COC(=O)c1sc2[n-]c(CSc3cccs3)nc(=O)c2c1CC(=O)[O-] ZINC000737724249 600120340 /nfs/dbraw/zinc/12/03/40/600120340.db2.gz XDGZIOOVGLAGSL-UHFFFAOYSA-N -2 3 396.471 2.752 20 0 GFADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1F ZINC000736478101 600201318 /nfs/dbraw/zinc/20/13/18/600201318.db2.gz QYVBROOQTSEWES-UHFFFAOYSA-N -2 3 398.387 2.602 20 0 GFADHL C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)N1CCOCC1 ZINC000736719371 600423262 /nfs/dbraw/zinc/42/32/62/600423262.db2.gz YFFUVGDUBRUJKM-AWEZNQCLSA-N -2 3 390.461 2.579 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)cc1C(=O)[O-] ZINC000042122918 600541425 /nfs/dbraw/zinc/54/14/25/600541425.db2.gz OFMWWWRTSBRJNH-UHFFFAOYSA-N -2 3 381.406 2.520 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1OC ZINC000614762358 600541922 /nfs/dbraw/zinc/54/19/22/600541922.db2.gz NHHZFEKJBWFYGS-UHFFFAOYSA-N -2 3 381.406 2.602 20 0 GFADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000042793643 600542421 /nfs/dbraw/zinc/54/24/21/600542421.db2.gz DPUXEIBDVKFMRT-UHFFFAOYSA-N -2 3 394.405 2.763 20 0 GFADHL CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736354750 600588336 /nfs/dbraw/zinc/58/83/36/600588336.db2.gz JDKHUUGBAUCXNR-QMMMGPOBSA-N -2 3 382.251 2.857 20 0 GFADHL O=C([O-])[C@@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1Cl ZINC000833351845 600664078 /nfs/dbraw/zinc/66/40/78/600664078.db2.gz VNXWBGIOVDMIJI-ZDUSSCGKSA-N -2 3 394.166 2.860 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c([O-])c1 ZINC000832911758 600775970 /nfs/dbraw/zinc/77/59/70/600775970.db2.gz MAVAUMNHHWHZBT-UHFFFAOYSA-N -2 3 384.432 2.821 20 0 GFADHL CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)ccc21 ZINC000506625562 600891236 /nfs/dbraw/zinc/89/12/36/600891236.db2.gz TVWHJXXPHBWUHA-UHFFFAOYSA-N -2 3 388.445 2.793 20 0 GFADHL COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506620678 600892504 /nfs/dbraw/zinc/89/25/04/600892504.db2.gz YOBVCOVPBOZQBQ-UHFFFAOYSA-N -2 3 377.418 2.600 20 0 GFADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000738997225 600910346 /nfs/dbraw/zinc/91/03/46/600910346.db2.gz VQKIPLORTSTXOT-LBPRGKRZSA-N -2 3 392.415 2.770 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1ccc(F)cc1 ZINC000827508273 601239370 /nfs/dbraw/zinc/23/93/70/601239370.db2.gz WSEOZQKKRRMEDY-VIFPVBQESA-N -2 3 389.351 2.548 20 0 GFADHL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2)CCO1 ZINC000265577885 601331826 /nfs/dbraw/zinc/33/18/26/601331826.db2.gz FTGASDAIDZKALE-GFCCVEGCSA-N -2 3 394.424 2.550 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000827761239 601385091 /nfs/dbraw/zinc/38/50/91/601385091.db2.gz VOOROKBABXBMGL-NSHDSACASA-N -2 3 379.438 2.855 20 0 GFADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1ccc(Cl)cc1 ZINC000831078086 601388357 /nfs/dbraw/zinc/38/83/57/601388357.db2.gz JLKKMNZPHYKBJX-HNNXBMFYSA-N -2 3 397.836 2.539 20 0 GFADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(=O)[O-])cc3)ccc2O1 ZINC000828082575 601830436 /nfs/dbraw/zinc/83/04/36/601830436.db2.gz RHTFVXGNQUWEHA-UHFFFAOYSA-N -2 3 377.418 2.664 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Nc2cnn(C)c2)c1 ZINC000475744162 601882363 /nfs/dbraw/zinc/88/23/63/601882363.db2.gz AOTWJGZDUXTDPJ-UHFFFAOYSA-N -2 3 386.433 2.971 20 0 GFADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(CC(=O)[O-])c3)cc2F)c1 ZINC000466290102 601986507 /nfs/dbraw/zinc/98/65/07/601986507.db2.gz PVCDGAUUIGTTBP-UHFFFAOYSA-N -2 3 389.408 2.748 20 0 GFADHL CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313764 602144330 /nfs/dbraw/zinc/14/43/30/602144330.db2.gz KHEUYBQYFLEJGG-BDAKNGLRSA-N -2 3 380.260 2.987 20 0 GFADHL Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832983443 602214497 /nfs/dbraw/zinc/21/44/97/602214497.db2.gz XNFZGXZUNRSLSX-UHFFFAOYSA-N -2 3 389.202 2.791 20 0 GFADHL Cc1nc(C)c(CC(=O)NC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)c(=O)[n-]1 ZINC000740216355 602360724 /nfs/dbraw/zinc/36/07/24/602360724.db2.gz FEQWXMUWBQZFAC-QGZVFWFLSA-N -2 3 386.452 2.590 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@H](CNC(=O)[O-])CC(C)C)cc2)cc(=O)[n-]1 ZINC000740211200 602573503 /nfs/dbraw/zinc/57/35/03/602573503.db2.gz YPVJVSDWZJHPEM-HNNXBMFYSA-N -2 3 387.440 2.961 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1C ZINC000739837498 602645395 /nfs/dbraw/zinc/64/53/95/602645395.db2.gz FSPGAMLIADWCOH-UHFFFAOYSA-N -2 3 380.422 2.911 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1NC(=O)[O-] ZINC000739926117 602673603 /nfs/dbraw/zinc/67/36/03/602673603.db2.gz ZIAZLVIOGNRRHH-JTQLQIEISA-N -2 3 378.406 2.909 20 0 GFADHL Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc2c(s1)CN(C(=O)[O-])CC2 ZINC000830904008 603744305 /nfs/dbraw/zinc/74/43/05/603744305.db2.gz INFANHXUIUQDKN-UHFFFAOYSA-N -2 3 376.316 2.747 20 0 GFADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)s1 ZINC000824135660 607662761 /nfs/dbraw/zinc/66/27/61/607662761.db2.gz IOUBNWRAEGSPKN-UHFFFAOYSA-N -2 3 379.467 2.732 20 0 GFADHL CC(C)c1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])on1 ZINC000645970712 605027551 /nfs/dbraw/zinc/02/75/51/605027551.db2.gz VCXFBCBNOVPHTK-UHFFFAOYSA-N -2 3 392.355 2.994 20 0 GFADHL CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833642213 605300685 /nfs/dbraw/zinc/30/06/85/605300685.db2.gz IDFZXJUYIRUECN-AAEUAGOBSA-N -2 3 391.436 2.925 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000822153920 606207516 /nfs/dbraw/zinc/20/75/16/606207516.db2.gz QTNICQBUOSFQHV-UHFFFAOYSA-N -2 3 387.465 2.979 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000822153920 606207518 /nfs/dbraw/zinc/20/75/18/606207518.db2.gz QTNICQBUOSFQHV-UHFFFAOYSA-N -2 3 387.465 2.979 20 0 GFADHL O=S(=O)([N-]c1cccc(F)c1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823589242 606339694 /nfs/dbraw/zinc/33/96/94/606339694.db2.gz VDBFDHZEJKODAQ-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL O=S(=O)([N-]c1cccc(F)c1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823589242 606339697 /nfs/dbraw/zinc/33/96/97/606339697.db2.gz VDBFDHZEJKODAQ-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821061161 606393611 /nfs/dbraw/zinc/39/36/11/606393611.db2.gz NVOOLBIPDDRENJ-UHFFFAOYSA-N -2 3 393.448 2.502 20 0 GFADHL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821061161 606393613 /nfs/dbraw/zinc/39/36/13/606393613.db2.gz NVOOLBIPDDRENJ-UHFFFAOYSA-N -2 3 393.448 2.502 20 0 GFADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000824352773 607806216 /nfs/dbraw/zinc/80/62/16/607806216.db2.gz MSSHVRDNRPBLQI-ZHACJKMWSA-N -2 3 397.460 2.508 20 0 GFADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000824352773 607806217 /nfs/dbraw/zinc/80/62/17/607806217.db2.gz MSSHVRDNRPBLQI-ZHACJKMWSA-N -2 3 397.460 2.508 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492516 609424374 /nfs/dbraw/zinc/42/43/74/609424374.db2.gz OVXLSNOTTKPXEE-UHFFFAOYSA-N -2 3 384.396 2.802 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492516 609424377 /nfs/dbraw/zinc/42/43/77/609424377.db2.gz OVXLSNOTTKPXEE-UHFFFAOYSA-N -2 3 384.396 2.802 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c2n[nH]cc21 ZINC000826291484 609528983 /nfs/dbraw/zinc/52/89/83/609528983.db2.gz ISZFWYKZASOCGE-UHFFFAOYSA-N -2 3 389.828 2.506 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c2n[nH]cc21 ZINC000826291484 609528985 /nfs/dbraw/zinc/52/89/85/609528985.db2.gz ISZFWYKZASOCGE-UHFFFAOYSA-N -2 3 389.828 2.506 20 0 GFADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(-c2ccc(Br)s2)s1 ZINC000820283802 660287487 /nfs/dbraw/zinc/28/74/87/660287487.db2.gz ZWFAEWPDEKJOLD-UHFFFAOYSA-N -2 3 387.240 2.626 20 0 GFADHL CC(C)(C)C[C@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000821250802 660319414 /nfs/dbraw/zinc/31/94/14/660319414.db2.gz SPFXUYXHASJEFX-QWRGUYRKSA-N -2 3 384.281 2.522 20 0 GFADHL CCCc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000825348657 660422100 /nfs/dbraw/zinc/42/21/00/660422100.db2.gz VEFSHKVIOZIGRW-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL CCCc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000825348657 660422107 /nfs/dbraw/zinc/42/21/07/660422107.db2.gz VEFSHKVIOZIGRW-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000036833102 654613834 /nfs/dbraw/zinc/61/38/34/654613834.db2.gz CNERIRCLMHICNO-UHFFFAOYSA-N -2 3 378.834 2.651 20 0 GFADHL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)ccc1=O ZINC000066813808 654916392 /nfs/dbraw/zinc/91/63/92/654916392.db2.gz KEMXEORDSHQBNG-UHFFFAOYSA-N -2 3 391.232 2.674 20 0 GFADHL O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc(Br)cc1[O-] ZINC000067119254 654930607 /nfs/dbraw/zinc/93/06/07/654930607.db2.gz YGWPADFCMNCKFF-UHFFFAOYSA-N -2 3 383.271 2.716 20 0 GFADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(=O)[n-]1 ZINC000069641957 654984435 /nfs/dbraw/zinc/98/44/35/654984435.db2.gz FSBQBCNMWKGIIO-UHFFFAOYSA-N -2 3 396.277 2.643 20 0 GFADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000070551233 654992995 /nfs/dbraw/zinc/99/29/95/654992995.db2.gz DNAFBRTUOAVNDE-UHFFFAOYSA-N -2 3 390.280 2.730 20 0 GFADHL O=C([N-]N=c1[n-]c(C(F)(F)F)cs1)c1nc(N2CCCC2)ncc1Cl ZINC000152910630 655062795 /nfs/dbraw/zinc/06/27/95/655062795.db2.gz JFNRYCNOOBELPC-UHFFFAOYSA-N -2 3 392.794 2.962 20 0 GFADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)(C(=O)[O-])C1(C)C ZINC000275615827 655244116 /nfs/dbraw/zinc/24/41/16/655244116.db2.gz KNYXZLKVRYGPIC-XHDPSFHLSA-N -2 3 396.292 2.930 20 0 GFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000189413864 655386297 /nfs/dbraw/zinc/38/62/97/655386297.db2.gz MNKJOIIXKDPFHD-BDAKNGLRSA-N -2 3 380.260 2.987 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c(F)cc1Br ZINC000575151069 655436411 /nfs/dbraw/zinc/43/64/11/655436411.db2.gz IBXWCOZXRSBIQX-QMMMGPOBSA-N -2 3 382.251 2.676 20 0 GFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000262334103 655445085 /nfs/dbraw/zinc/44/50/85/655445085.db2.gz WIIGSKVQZPSGFF-SECBINFHSA-N -2 3 387.351 2.750 20 0 GFADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2sccc2SC(F)F)s1 ZINC000730535724 655576242 /nfs/dbraw/zinc/57/62/42/655576242.db2.gz JAEXDCIKIIKXBV-UHFFFAOYSA-N -2 3 386.452 2.538 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(C3CCC3)CCC2)c(Br)o1 ZINC000840896723 661203376 /nfs/dbraw/zinc/20/33/76/661203376.db2.gz KHMRSVKYZCXION-UHFFFAOYSA-N -2 3 392.271 2.989 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(F)(F)F)c1 ZINC000758167442 655925055 /nfs/dbraw/zinc/92/50/55/655925055.db2.gz ZNZPDXIHWPWMCA-CQSZACIVSA-N -2 3 377.340 2.797 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc(Cl)c1F ZINC000762472416 656043397 /nfs/dbraw/zinc/04/33/97/656043397.db2.gz AYIDTYWADMSKOU-UHFFFAOYSA-N -2 3 377.752 2.610 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(Br)o1 ZINC000766053307 656159034 /nfs/dbraw/zinc/15/90/34/656159034.db2.gz SWGICRCQXMMGQY-UHFFFAOYSA-N -2 3 378.244 2.741 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000776564037 656758229 /nfs/dbraw/zinc/75/82/29/656758229.db2.gz OTLKENJOOIRWHT-VIFPVBQESA-N -2 3 399.321 2.819 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776624727 656769778 /nfs/dbraw/zinc/76/97/78/656769778.db2.gz DJGAHXLUZCRSSJ-GFCCVEGCSA-N -2 3 393.223 2.502 20 0 GFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000798409032 659100077 /nfs/dbraw/zinc/10/00/77/659100077.db2.gz ONCFFCSPASZYSD-PSASIEDQSA-N -2 3 382.251 2.756 20 0 GFADHL O=C(c1cc(Br)cc(Cl)c1[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898215874 663638705 /nfs/dbraw/zinc/63/87/05/663638705.db2.gz KJFIJJXRARXWKO-ZETCQYMHSA-N -2 3 386.633 2.867 20 0 GFADHL CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2cc([O-])cc(Br)c2)C(=O)[O-])C1 ZINC000909916017 664183532 /nfs/dbraw/zinc/18/35/32/664183532.db2.gz ZDDOVPNQEMPHIA-FZZIBODNSA-N -2 3 386.242 2.543 20 0 GFADHL Cc1csc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)c1 ZINC000380916090 677406015 /nfs/dbraw/zinc/40/60/15/677406015.db2.gz QUNCWJUYJXFDMR-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-] ZINC000401304982 563535250 /nfs/dbraw/zinc/53/52/50/563535250.db2.gz GMIJHFUNIUFSQF-JTQLQIEISA-N -2 3 394.287 2.625 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)cc2)c1 ZINC000013309336 551109011 /nfs/dbraw/zinc/10/90/11/551109011.db2.gz HFXMCAYZCKAVGS-UHFFFAOYSA-N -2 3 379.381 2.986 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000121003238 551224740 /nfs/dbraw/zinc/22/47/40/551224740.db2.gz SXTNALJNDHIKIG-UHFFFAOYSA-N -2 3 377.447 2.616 20 0 GFADHL CC(C)(C)[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1F ZINC000150869615 551402824 /nfs/dbraw/zinc/40/28/24/551402824.db2.gz JFVZMPGUJOLVBE-UHFFFAOYSA-N -2 3 386.470 2.703 20 0 GFADHL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)CCC(F)(F)F)c1 ZINC000178956889 552180253 /nfs/dbraw/zinc/18/02/53/552180253.db2.gz WYWHPWLMDACZPX-UHFFFAOYSA-N -2 3 376.150 2.841 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)N1CCC(C)CC1 ZINC000184967137 552349696 /nfs/dbraw/zinc/34/96/96/552349696.db2.gz UIJLAWZTULAIFT-NSHDSACASA-N -2 3 392.880 2.576 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000211100309 553052414 /nfs/dbraw/zinc/05/24/14/553052414.db2.gz GWESEDMJRBUJSZ-GFCCVEGCSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCCC1 ZINC000230096974 553064520 /nfs/dbraw/zinc/06/45/20/553064520.db2.gz STYMNKXXKBXNQW-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000312500189 563436501 /nfs/dbraw/zinc/43/65/01/563436501.db2.gz KEQKYYUCHGAWMK-LBPRGKRZSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2ccc(F)cc2Br)(C(=O)[O-])C1 ZINC000314740979 563439184 /nfs/dbraw/zinc/43/91/84/563439184.db2.gz BVQUZVWLKKJWLR-LKFCYVNXSA-N -2 3 394.262 2.900 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000318149705 563443114 /nfs/dbraw/zinc/44/31/14/563443114.db2.gz WFPJZLTUWRVCCJ-GXTWGEPZSA-N -2 3 394.262 2.900 20 0 GFADHL CSCCO[N-]C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000279925149 563314911 /nfs/dbraw/zinc/31/49/11/563314911.db2.gz HQHKZUGXJGXCAG-UHFFFAOYSA-N -2 3 381.523 2.656 20 0 GFADHL Cc1nc2c(s1)CCC[C@H]2C[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000373524799 563341601 /nfs/dbraw/zinc/34/16/01/563341601.db2.gz VAWUCGPBVGKOJY-JTQLQIEISA-N -2 3 386.520 2.539 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000424365064 563376893 /nfs/dbraw/zinc/37/68/93/563376893.db2.gz GALHXOHFYXGHFG-UHFFFAOYSA-N -2 3 394.287 2.627 20 0 GFADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000281954976 563391790 /nfs/dbraw/zinc/39/17/90/563391790.db2.gz SLMFPOQIDZPHHJ-ZCFIWIBFSA-N -2 3 390.177 2.609 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(F)cc1Br ZINC000319032782 563444808 /nfs/dbraw/zinc/44/48/08/563444808.db2.gz BLMRFSUCUBBTFR-UHFFFAOYSA-N -2 3 391.218 2.734 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000327109417 563457152 /nfs/dbraw/zinc/45/71/52/563457152.db2.gz LTZJIISBKKWSBY-UHFFFAOYSA-N -2 3 379.312 2.663 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)CC(=O)[O-] ZINC000392838741 563527916 /nfs/dbraw/zinc/52/79/16/563527916.db2.gz PENFFCYOGARCBK-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)ccc1[O-] ZINC000436730152 563677865 /nfs/dbraw/zinc/67/78/65/563677865.db2.gz JRGKCLFMAJQMTM-UHFFFAOYSA-N -2 3 378.431 2.898 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1)C(F)F ZINC000414320153 563726023 /nfs/dbraw/zinc/72/60/23/563726023.db2.gz BGZGBOJGSNMUDD-LLVKDONJSA-N -2 3 385.816 2.906 20 0 GFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000563227520 564181354 /nfs/dbraw/zinc/18/13/54/564181354.db2.gz XRARCPHCWYEHCC-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1Cl ZINC000539238808 564214975 /nfs/dbraw/zinc/21/49/75/564214975.db2.gz PFDPJOGNUSVUBM-UHFFFAOYSA-N -2 3 385.825 2.785 20 0 GFADHL CCc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cc1C ZINC000539852612 564229430 /nfs/dbraw/zinc/22/94/30/564229430.db2.gz AWQJMWDUCDIXNH-UHFFFAOYSA-N -2 3 386.470 2.869 20 0 GFADHL COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000564920720 564257153 /nfs/dbraw/zinc/25/71/53/564257153.db2.gz YENRYWJBIPBIQJ-NSHDSACASA-N -2 3 385.463 2.693 20 0 GFADHL COC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])c1ccc(C)o1 ZINC000451268917 564292655 /nfs/dbraw/zinc/29/26/55/564292655.db2.gz NTKBLNPIGKXDCA-NSHDSACASA-N -2 3 379.356 2.978 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1ccccc1 ZINC000541910019 564294724 /nfs/dbraw/zinc/29/47/24/564294724.db2.gz SJTBWQHRCAYBGQ-CYBMUJFWSA-N -2 3 388.214 2.692 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC2(F)CCC2)c(F)c1 ZINC000451554263 564324911 /nfs/dbraw/zinc/32/49/11/564324911.db2.gz PJXZXYCMKTYBHM-UHFFFAOYSA-N -2 3 396.481 2.538 20 0 GFADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000566859533 564346952 /nfs/dbraw/zinc/34/69/52/564346952.db2.gz XGCBBRBCGKASKF-MRVPVSSYSA-N -2 3 382.335 2.629 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C)cc(Br)c2O)c1 ZINC000477313306 564373110 /nfs/dbraw/zinc/37/31/10/564373110.db2.gz BVVJQIPVKKCKRX-UHFFFAOYSA-N -2 3 388.239 2.978 20 0 GFADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000568389529 564416656 /nfs/dbraw/zinc/41/66/56/564416656.db2.gz NNQCVDLUYKGILB-OAHLLOKOSA-N -2 3 375.830 2.553 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479486418 564441565 /nfs/dbraw/zinc/44/15/65/564441565.db2.gz FTIVWFBQNAUCRR-UHFFFAOYSA-N -2 3 397.503 2.777 20 0 GFADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000515242412 564473231 /nfs/dbraw/zinc/47/32/31/564473231.db2.gz VMRUUHIOQMIVAP-UHFFFAOYSA-N -2 3 387.255 2.531 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cncc(C(=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000515379706 564477499 /nfs/dbraw/zinc/47/74/99/564477499.db2.gz MXZJNIDYLJBWPV-VIFPVBQESA-N -2 3 395.384 2.685 20 0 GFADHL CC1(C)C[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])c2ccc(F)cc2O1 ZINC000569922870 564483796 /nfs/dbraw/zinc/48/37/96/564483796.db2.gz ALHXPGXONBAFQH-JTQLQIEISA-N -2 3 386.426 2.561 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000547546487 564492367 /nfs/dbraw/zinc/49/23/67/564492367.db2.gz VPDIMUPXZOPQCI-ZWNOBZJWSA-N -2 3 375.830 2.512 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)s1 ZINC000547576495 564496541 /nfs/dbraw/zinc/49/65/41/564496541.db2.gz LZNQWNWURULCFP-UHFFFAOYSA-N -2 3 382.301 2.742 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)CC(=O)[O-] ZINC000547612003 564502686 /nfs/dbraw/zinc/50/26/86/564502686.db2.gz JLFWGKDGKWLLBE-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCCC1 ZINC000547894134 564517653 /nfs/dbraw/zinc/51/76/53/564517653.db2.gz JPDNNJDCOQCLQN-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000547939808 564524632 /nfs/dbraw/zinc/52/46/32/564524632.db2.gz VTFGLDPIAAEWEC-ZDUSSCGKSA-N -2 3 393.223 2.502 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000548193444 564535090 /nfs/dbraw/zinc/53/50/90/564535090.db2.gz PSSNWKRPLZHNLG-SKDRFNHKSA-N -2 3 375.830 2.512 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(Cl)cccc2Cl)c1 ZINC000548235242 564540705 /nfs/dbraw/zinc/54/07/05/564540705.db2.gz YUBNECAOVRNFPY-ZDUSSCGKSA-N -2 3 392.264 2.875 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000548263198 564544714 /nfs/dbraw/zinc/54/47/14/564544714.db2.gz SPYKBBOEOOLLLO-CYBMUJFWSA-N -2 3 383.853 2.885 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(Cl)c1 ZINC000548264505 564545549 /nfs/dbraw/zinc/54/55/49/564545549.db2.gz NBOKNTYJQBGTKO-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL CCCOC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)CCCCC1 ZINC000571320017 564546335 /nfs/dbraw/zinc/54/63/35/564546335.db2.gz BMJCIKBQKYHZGB-UHFFFAOYSA-N -2 3 391.511 2.863 20 0 GFADHL COc1ccc([C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C(=O)[O-])cc1F ZINC000548547100 564558613 /nfs/dbraw/zinc/55/86/13/564558613.db2.gz HLRVXVNXSGPCMZ-ZDUSSCGKSA-N -2 3 391.779 2.731 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000518646849 564559228 /nfs/dbraw/zinc/55/92/28/564559228.db2.gz WOARDNWLTVPBOD-UHFFFAOYSA-N -3 3 385.781 2.546 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c(Cl)c1 ZINC000548594259 564565632 /nfs/dbraw/zinc/56/56/32/564565632.db2.gz WGEJZXJWIJKKMZ-LLVKDONJSA-N -2 3 391.873 2.684 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000519394376 564576921 /nfs/dbraw/zinc/57/69/21/564576921.db2.gz GNQYPXSDDCAMNT-GFCCVEGCSA-N -2 3 391.873 2.674 20 0 GFADHL NC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(Cl)cc1Cl ZINC000549721454 564602980 /nfs/dbraw/zinc/60/29/80/564602980.db2.gz GEFFBAJFLILTDV-UHFFFAOYSA-N -2 3 389.216 2.591 20 0 GFADHL Cc1c(Br)cc([N-]S(=O)(=O)c2ccc(N)cc2)cc1C(=O)[O-] ZINC000551236750 564643660 /nfs/dbraw/zinc/64/36/60/564643660.db2.gz UYUGDCCDLDDWBL-UHFFFAOYSA-N -2 3 385.239 2.839 20 0 GFADHL O=C([O-])[C@@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000551593256 564657196 /nfs/dbraw/zinc/65/71/96/564657196.db2.gz ZGOKYIBZFIJYHT-CQSZACIVSA-N -2 3 389.807 2.983 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]Cc1nc(C)c(C)s1 ZINC000574036589 564665137 /nfs/dbraw/zinc/66/51/37/564665137.db2.gz WPXRRLJIVGKHEN-UHFFFAOYSA-N -2 3 390.870 2.599 20 0 GFADHL O=C([O-])[C@H](CCC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000574123299 564670159 /nfs/dbraw/zinc/67/01/59/564670159.db2.gz WQQQFRBQZWODDX-NSHDSACASA-N -2 3 387.866 2.796 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)c(F)cc1Br ZINC000574620345 564681908 /nfs/dbraw/zinc/68/19/08/564681908.db2.gz YLCIUPBCJLOLDR-VIFPVBQESA-N -2 3 382.251 2.532 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000526059949 564718386 /nfs/dbraw/zinc/71/83/86/564718386.db2.gz FYEAYUFYJCQOBC-VIFPVBQESA-N -2 3 381.262 2.863 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000527301104 564738188 /nfs/dbraw/zinc/73/81/88/564738188.db2.gz HLCKRHHAFDAVSG-BZNIZROVSA-N -2 3 393.889 2.533 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000554430524 564760297 /nfs/dbraw/zinc/76/02/97/564760297.db2.gz ZDGZTBCHMKBHOY-MFKMUULPSA-N -2 3 385.335 2.646 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)(C)c1ccc(F)cc1 ZINC000581248839 564794649 /nfs/dbraw/zinc/79/46/49/564794649.db2.gz QEMVWUOLAZPWIV-UHFFFAOYSA-N -2 3 387.454 2.850 20 0 GFADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1(CC)CC ZINC000581427237 564802208 /nfs/dbraw/zinc/80/22/08/564802208.db2.gz JTDWOWPIGHOHEZ-OLZOCXBDSA-N -2 3 391.511 2.717 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(F)F ZINC000582929822 564868062 /nfs/dbraw/zinc/86/80/62/564868062.db2.gz NTNZEUVAQRWITF-ZCFIWIBFSA-N -2 3 395.733 2.993 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])s1 ZINC000530420984 564880769 /nfs/dbraw/zinc/88/07/69/564880769.db2.gz SPXYCMAXKGRIEK-SNVBAGLBSA-N -2 3 382.301 2.741 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)C(F)F ZINC000583530810 564896051 /nfs/dbraw/zinc/89/60/51/564896051.db2.gz SAQHKWBPOICWST-ZCFIWIBFSA-N -2 3 395.733 2.993 20 0 GFADHL O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000559152524 564924623 /nfs/dbraw/zinc/92/46/23/564924623.db2.gz NZUCUWLMBCOEGN-UKRRQHHQSA-N -2 3 393.864 2.542 20 0 GFADHL O=C([O-])c1cc([N-]S(=O)(=O)CCOCC(F)(F)F)cc(C(F)(F)F)c1 ZINC000562231786 565021173 /nfs/dbraw/zinc/02/11/73/565021173.db2.gz XHEPTNFDENJGCY-UHFFFAOYSA-N -2 3 395.277 2.724 20 0 GFADHL CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000563066733 565053887 /nfs/dbraw/zinc/05/38/87/565053887.db2.gz BMQPVTBYMXZTPP-UHFFFAOYSA-N -2 3 387.841 2.859 20 0 GFADHL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000614314343 565106427 /nfs/dbraw/zinc/10/64/27/565106427.db2.gz BVQNKJJMAUIHME-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL COC(=O)CCS(=O)(=O)[N-]c1cc(Br)cc(C(C)(C)C)c1[O-] ZINC000594465635 565390221 /nfs/dbraw/zinc/39/02/21/565390221.db2.gz FXSJXBLKXFJLQQ-UHFFFAOYSA-N -2 3 394.287 2.757 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C1CCC1 ZINC000663253680 565404306 /nfs/dbraw/zinc/40/43/06/565404306.db2.gz BIMZGJIVWWWSEG-SNVBAGLBSA-N -2 3 396.690 2.882 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)c1 ZINC000663294757 565409481 /nfs/dbraw/zinc/40/94/81/565409481.db2.gz ZSCBHMMQKFKYJV-MRVPVSSYSA-N -2 3 389.779 2.670 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000644571935 565482770 /nfs/dbraw/zinc/48/27/70/565482770.db2.gz KJAZYFJPTIAAHG-LDYMZIIASA-N -2 3 387.351 2.748 20 0 GFADHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000669838660 565704775 /nfs/dbraw/zinc/70/47/75/565704775.db2.gz BXRCGPWEYMACHY-GFCCVEGCSA-N -2 3 391.287 2.546 20 0 GFADHL COC1(C[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])CCC1 ZINC000650432245 565821340 /nfs/dbraw/zinc/82/13/40/565821340.db2.gz RQEAINDHDPNEQA-LBPRGKRZSA-N -2 3 382.265 2.684 20 0 GFADHL CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000629288695 565835933 /nfs/dbraw/zinc/83/59/33/565835933.db2.gz FQFPLRQNJAPWGK-CYBMUJFWSA-N -2 3 381.372 2.960 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]Cc2ccccc2CC(F)(F)F)oc1C(=O)[O-] ZINC000629346430 565846539 /nfs/dbraw/zinc/84/65/39/565846539.db2.gz KCGQAYBMBVRUCO-UHFFFAOYSA-N -2 3 377.340 2.870 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)[C@@H]1CCCCO1 ZINC000656179896 566111839 /nfs/dbraw/zinc/11/18/39/566111839.db2.gz BYGDELHYNPRSEB-STQMWFEESA-N -2 3 391.873 2.673 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000681572730 566113679 /nfs/dbraw/zinc/11/36/79/566113679.db2.gz VNVSAVZRIDKCDP-ZDUSSCGKSA-N -2 3 385.873 2.654 20 0 GFADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000681578151 566114473 /nfs/dbraw/zinc/11/44/73/566114473.db2.gz BRJOHNYYOVWYDX-ZYHUDNBSSA-N -2 3 384.281 2.503 20 0 GFADHL CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000656717183 566157403 /nfs/dbraw/zinc/15/74/03/566157403.db2.gz LNOMFUFUGYFYQI-GFCCVEGCSA-N -2 3 391.873 2.530 20 0 GFADHL CC(C)c1csc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000735938897 598890010 /nfs/dbraw/zinc/89/00/10/598890010.db2.gz GTKIIJPLUNNFQU-UHFFFAOYSA-N -2 3 384.874 2.901 20 0 GFADHL CC(C)c1csc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000735938897 598890011 /nfs/dbraw/zinc/89/00/11/598890011.db2.gz GTKIIJPLUNNFQU-UHFFFAOYSA-N -2 3 384.874 2.901 20 0 GFADHL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3C)c2n1 ZINC000737373348 598949199 /nfs/dbraw/zinc/94/91/99/598949199.db2.gz FWIPYVYEKPCBHR-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3C)c2n1 ZINC000737373348 598949200 /nfs/dbraw/zinc/94/92/00/598949200.db2.gz FWIPYVYEKPCBHR-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735758237 599025231 /nfs/dbraw/zinc/02/52/31/599025231.db2.gz YKVZYIGBRHTDBF-QGZVFWFLSA-N -2 3 399.476 2.502 20 0 GFADHL CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735758237 599025233 /nfs/dbraw/zinc/02/52/33/599025233.db2.gz YKVZYIGBRHTDBF-QGZVFWFLSA-N -2 3 399.476 2.502 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000822152142 599234434 /nfs/dbraw/zinc/23/44/34/599234434.db2.gz FZENXVPPOJFACO-UHFFFAOYSA-N -2 3 378.483 2.730 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000822152142 599234436 /nfs/dbraw/zinc/23/44/36/599234436.db2.gz FZENXVPPOJFACO-UHFFFAOYSA-N -2 3 378.483 2.730 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000736634132 598330335 /nfs/dbraw/zinc/33/03/35/598330335.db2.gz ILKDSUAMJFZWIT-UHFFFAOYSA-N -2 3 396.432 2.614 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000737360923 599561470 /nfs/dbraw/zinc/56/14/70/599561470.db2.gz DOAZUTFWSJHKMP-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL CC(C)COC[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccco1 ZINC000571675248 599731615 /nfs/dbraw/zinc/73/16/15/599731615.db2.gz DUWIAWMKGYCABP-INIZCTEOSA-N -2 3 381.450 2.811 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(C(=O)[O-])s1 ZINC000737682229 599814465 /nfs/dbraw/zinc/81/44/65/599814465.db2.gz XOZLDJCFLQMCSR-UHFFFAOYSA-N -2 3 375.811 2.687 20 0 GFADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1c2ccccc2sc1C(=O)[O-] ZINC000738916120 599880376 /nfs/dbraw/zinc/88/03/76/599880376.db2.gz XABQWIBPFYKOEE-UHFFFAOYSA-N -2 3 399.881 2.773 20 0 GFADHL C[C@H](c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)N1CCOCC1 ZINC000736719373 600423247 /nfs/dbraw/zinc/42/32/47/600423247.db2.gz YFFUVGDUBRUJKM-CQSZACIVSA-N -2 3 390.461 2.579 20 0 GFADHL C[C@@H](CN(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C(=O)[O-] ZINC000736576943 600506913 /nfs/dbraw/zinc/50/69/13/600506913.db2.gz RRYYQJUZLLDNTL-JTQLQIEISA-N -2 3 375.425 2.943 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000265699314 600546011 /nfs/dbraw/zinc/54/60/11/600546011.db2.gz CYKMRADKPZNZGB-MRXNPFEDSA-N -2 3 377.418 2.662 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)ccc1C(=O)[O-] ZINC000506689178 600887752 /nfs/dbraw/zinc/88/77/52/600887752.db2.gz KBRUVYXTXUCXMX-UHFFFAOYSA-N -2 3 389.433 2.778 20 0 GFADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cncc(F)c2)c(Br)cc1F ZINC000740086886 600898355 /nfs/dbraw/zinc/89/83/55/600898355.db2.gz CELKDEFYUPGECC-UHFFFAOYSA-N -2 3 393.165 2.621 20 0 GFADHL O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)c2cc3ccsc3[n-]2)C1=O ZINC000833350456 601072379 /nfs/dbraw/zinc/07/23/79/601072379.db2.gz WSPIAFZPSDMCET-LLVKDONJSA-N -2 3 376.415 2.951 20 0 GFADHL O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cc(I)ccc2[O-])C1 ZINC000833185690 601211052 /nfs/dbraw/zinc/21/10/52/601211052.db2.gz IADNZPOPHYVBRT-BDAKNGLRSA-N -2 3 389.189 2.826 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1C(=O)[O-] ZINC000566179471 601215001 /nfs/dbraw/zinc/21/50/01/601215001.db2.gz OYBUGKVNWURYQN-KRWDZBQOSA-N -2 3 395.433 2.733 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)CCCCCC2)no1 ZINC000738350135 601216496 /nfs/dbraw/zinc/21/64/96/601216496.db2.gz KJROOOYTJGLAAV-UHFFFAOYSA-N -2 3 397.428 2.743 20 0 GFADHL C[C@@H](COCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000390578334 601239009 /nfs/dbraw/zinc/23/90/09/601239009.db2.gz WOTGXRYJTXNJND-NSHDSACASA-N -2 3 385.388 2.547 20 0 GFADHL CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1(C)C ZINC000829413765 601240403 /nfs/dbraw/zinc/24/04/03/601240403.db2.gz XGDAUNHBRCTGSW-QWHCGFSZSA-N -2 3 391.436 2.925 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000827754718 601256402 /nfs/dbraw/zinc/25/64/02/601256402.db2.gz LQHKNHVBRIHHKT-BRNRAETOSA-N -2 3 379.438 2.504 20 0 GFADHL COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000831248009 601320562 /nfs/dbraw/zinc/32/05/62/601320562.db2.gz ITOVQQCSQQSXRM-UHFFFAOYSA-N -2 3 399.371 2.867 20 0 GFADHL CCc1cc(=O)[n-]c(CS[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)n1 ZINC000830224953 601957044 /nfs/dbraw/zinc/95/70/44/601957044.db2.gz YKTZJWLGKPDBKI-LLVKDONJSA-N -2 3 379.463 2.543 20 0 GFADHL C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329810 602148233 /nfs/dbraw/zinc/14/82/33/602148233.db2.gz JUOIJZMOQDTUHB-DTWKUNHWSA-N -2 3 380.260 2.845 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3CN(C)C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000830685597 603284703 /nfs/dbraw/zinc/28/47/03/603284703.db2.gz IGBISFNNRNJFJP-OAHLLOKOSA-N -2 3 385.424 2.764 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000829854134 604314751 /nfs/dbraw/zinc/31/47/51/604314751.db2.gz GTNIUYBVDRWFHJ-UHFFFAOYSA-N -3 3 390.417 2.925 20 0 GFADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000828804490 604486165 /nfs/dbraw/zinc/48/61/65/604486165.db2.gz PGETUERXISABMY-UHFFFAOYSA-N -2 3 382.251 2.900 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])CCCCC2)no1 ZINC000576036309 605015775 /nfs/dbraw/zinc/01/57/75/605015775.db2.gz OGVDMSAFKZBOHZ-UHFFFAOYSA-N -2 3 399.856 2.868 20 0 GFADHL O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000832149404 605881751 /nfs/dbraw/zinc/88/17/51/605881751.db2.gz ZQPUXLSAWNYQGJ-CQSZACIVSA-N -2 3 393.237 2.650 20 0 GFADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000821487842 606210231 /nfs/dbraw/zinc/21/02/31/606210231.db2.gz YZXVCUQLIPDVKL-UHFFFAOYSA-N -2 3 379.829 2.589 20 0 GFADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000821487842 606210232 /nfs/dbraw/zinc/21/02/32/606210232.db2.gz YZXVCUQLIPDVKL-UHFFFAOYSA-N -2 3 379.829 2.589 20 0 GFADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000822202414 606751356 /nfs/dbraw/zinc/75/13/56/606751356.db2.gz YSVHSPPFAMLPBO-UHFFFAOYSA-N -2 3 392.872 2.695 20 0 GFADHL O=C(c1cccc(Br)c1[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473823 607962200 /nfs/dbraw/zinc/96/22/00/607962200.db2.gz PSUQNWOGDQVJLY-UHFFFAOYSA-N -2 3 386.209 2.538 20 0 GFADHL O=C(c1cccc(Br)c1[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473823 607962201 /nfs/dbraw/zinc/96/22/01/607962201.db2.gz PSUQNWOGDQVJLY-UHFFFAOYSA-N -2 3 386.209 2.538 20 0 GFADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826299978 609156890 /nfs/dbraw/zinc/15/68/90/609156890.db2.gz COQIOSRAJASRMO-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826299978 609156892 /nfs/dbraw/zinc/15/68/92/609156892.db2.gz COQIOSRAJASRMO-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000047318150 654693121 /nfs/dbraw/zinc/69/31/21/654693121.db2.gz SCPKJYZYTASWKE-UHFFFAOYSA-N -2 3 385.825 2.864 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000126167062 654809786 /nfs/dbraw/zinc/80/97/86/654809786.db2.gz XLHWOOQVOWZXLQ-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)sc1Br ZINC000136739701 655034876 /nfs/dbraw/zinc/03/48/76/655034876.db2.gz WUPQIVHGOQJYNT-MRVPVSSYSA-N -2 3 384.317 2.987 20 0 GFADHL O=C1Cc2cc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc3c2N1CCC3 ZINC000184899319 655360350 /nfs/dbraw/zinc/36/03/50/655360350.db2.gz GMZPIMJUIONZFY-UHFFFAOYSA-N -2 3 378.837 2.682 20 0 GFADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000190311108 655391049 /nfs/dbraw/zinc/39/10/49/655391049.db2.gz GARCNXBSDZWMAE-UHFFFAOYSA-N -2 3 381.216 2.545 20 0 GFADHL CC(C)C(C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)C ZINC000229515776 655423401 /nfs/dbraw/zinc/42/34/01/655423401.db2.gz PKJIYDPXAVTCRC-UHFFFAOYSA-N -2 3 382.276 2.947 20 0 GFADHL C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000576924669 655454816 /nfs/dbraw/zinc/45/48/16/655454816.db2.gz PWJNUMGAHWMSPI-KRWDZBQOSA-N -2 3 393.237 2.618 20 0 GFADHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)[C@@H](C)O1 ZINC000840899093 661204314 /nfs/dbraw/zinc/20/43/14/661204314.db2.gz NOOICBGTYIUDMV-NQMVMOMDSA-N -2 3 382.265 2.783 20 0 GFADHL COC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000761309784 656010167 /nfs/dbraw/zinc/01/01/67/656010167.db2.gz QFQWOYPBIZMCIA-ZDUSSCGKSA-N -2 3 387.841 2.914 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccs1 ZINC000776444158 656741872 /nfs/dbraw/zinc/74/18/72/656741872.db2.gz YVVRJNPTSUAMLX-SSDOTTSWSA-N -2 3 380.241 2.598 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)s1 ZINC000776540168 656755074 /nfs/dbraw/zinc/75/50/74/656755074.db2.gz OJHIYUSMQUGPGN-LLVKDONJSA-N -2 3 394.396 2.965 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000776563044 656758310 /nfs/dbraw/zinc/75/83/10/656758310.db2.gz FUAHRZRCZIQHPI-LLVKDONJSA-N -2 3 399.321 2.819 20 0 GFADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)(CC(=O)[O-])C1 ZINC000776623691 656769739 /nfs/dbraw/zinc/76/97/39/656769739.db2.gz AACUWAHBXOFTFS-XPTSAGLGSA-N -2 3 381.281 2.948 20 0 GFADHL O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000780687576 657022983 /nfs/dbraw/zinc/02/29/83/657022983.db2.gz FCAABTASFXUGCL-AWEZNQCLSA-N -2 3 393.237 2.650 20 0 GFADHL O=C([O-])[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C1CCCCC1 ZINC000780687727 657023101 /nfs/dbraw/zinc/02/31/01/657023101.db2.gz JCPALQKYPCDXLS-CQSZACIVSA-N -2 3 385.258 2.987 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOC(F)(F)F)cc(Cl)c1Cl ZINC000788735970 657780782 /nfs/dbraw/zinc/78/07/82/657780782.db2.gz CSKVPJMZURSBRS-UHFFFAOYSA-N -2 3 382.143 2.506 20 0 GFADHL COc1c(C)cc(C)cc1S(=O)(=O)[N-]N=c1c(F)c(F)[n-]c(F)c1F ZINC000800830750 659333614 /nfs/dbraw/zinc/33/36/14/659333614.db2.gz HJXQGCCGGPVSJE-UHFFFAOYSA-N -2 3 379.335 2.569 20 0 GFADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000853068797 661880389 /nfs/dbraw/zinc/88/03/89/661880389.db2.gz FDENHXPPZCPLOX-SECBINFHSA-N -2 3 380.647 2.554 20 0 GFADHL COC1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CC1 ZINC000871972459 662748078 /nfs/dbraw/zinc/74/80/78/662748078.db2.gz HUNMEVXPIUDYEB-UHFFFAOYSA-N -2 3 382.265 2.928 20 0 GFADHL O=C(c1cc(Cl)cc(Br)c1[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216101 663638825 /nfs/dbraw/zinc/63/88/25/663638825.db2.gz NCUHMWNLBQDYAR-SSDOTTSWSA-N -2 3 386.633 2.867 20 0 GFADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cccc([O-])c1Br ZINC000908708989 664122370 /nfs/dbraw/zinc/12/23/70/664122370.db2.gz FBONMUYOWQULHI-JTQLQIEISA-N -2 3 383.164 2.796 20 0 GFADHL O=C([O-])c1cnc([C@H]2CCN(C(=O)c3cc([O-])cc(Br)c3)C2)s1 ZINC000911045918 664234402 /nfs/dbraw/zinc/23/44/02/664234402.db2.gz NHVKSWCGKFXEBC-QMMMGPOBSA-N -2 3 397.250 2.939 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1Br ZINC000398174681 677412155 /nfs/dbraw/zinc/41/21/55/677412155.db2.gz IUBTWRLYARBYET-JTQLQIEISA-N -2 3 398.225 2.922 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000044259405 551143664 /nfs/dbraw/zinc/14/36/64/551143664.db2.gz DEGBEODNTXAFRK-UHFFFAOYSA-N -2 3 390.870 2.521 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000123635240 551307809 /nfs/dbraw/zinc/30/78/09/551307809.db2.gz GTEAYPGGJUUVQD-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000123635240 551307810 /nfs/dbraw/zinc/30/78/10/551307810.db2.gz GTEAYPGGJUUVQD-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1F ZINC000124456927 551314871 /nfs/dbraw/zinc/31/48/71/551314871.db2.gz HQRKYFWJPMHWCG-UHFFFAOYSA-N -2 3 390.433 2.836 20 0 GFADHL O=C(NCc1ccc([O-])c(Br)c1)c1nn(-c2ccccc2)cc1[O-] ZINC000151620052 551418303 /nfs/dbraw/zinc/41/83/03/551418303.db2.gz FAQPNFUUWJEKKS-UHFFFAOYSA-N -2 3 388.221 2.976 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])sc1Br ZINC000164894679 551627677 /nfs/dbraw/zinc/62/76/77/551627677.db2.gz VGRAMYHDQMTXLK-PELKAZGASA-N -2 3 382.301 2.741 20 0 GFADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000194140056 553012963 /nfs/dbraw/zinc/01/29/63/553012963.db2.gz CUMYUKINEKVKNV-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000211100255 553052235 /nfs/dbraw/zinc/05/22/35/553052235.db2.gz GWESEDMJRBUJSZ-LBPRGKRZSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230099743 553064218 /nfs/dbraw/zinc/06/42/18/553064218.db2.gz JTEQZYNVPKUGFO-SKDRFNHKSA-N -2 3 380.235 2.510 20 0 GFADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000320128974 563446440 /nfs/dbraw/zinc/44/64/40/563446440.db2.gz JBJPNRUBNGDQCS-UHFFFAOYSA-N -2 3 388.239 2.836 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1c(C)noc1C ZINC000327213379 563457469 /nfs/dbraw/zinc/45/74/69/563457469.db2.gz GPSGFQGPDYGUPW-MRVPVSSYSA-N -2 3 388.829 2.691 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl)CC(=O)[O-] ZINC000392812804 563527784 /nfs/dbraw/zinc/52/77/84/563527784.db2.gz DCMIIXZKYLSFBX-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2ccccc2Br)c1 ZINC000432729455 563591543 /nfs/dbraw/zinc/59/15/43/563591543.db2.gz HKZBKHABHXUQOS-UHFFFAOYSA-N -2 3 390.280 2.730 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1 ZINC000436995270 563687860 /nfs/dbraw/zinc/68/78/60/563687860.db2.gz QIZMPLAFRXGSHM-UHFFFAOYSA-N -3 3 377.296 2.632 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CCSc2ccccc2)C(=O)[O-])s1 ZINC000563662091 564201419 /nfs/dbraw/zinc/20/14/19/564201419.db2.gz RNXSPCZQCSOHOV-ZDUSSCGKSA-N -2 3 386.520 2.674 20 0 GFADHL O=S(=O)([N-]Cc1ncccc1[O-])c1ccc(Cl)cc1Br ZINC000541556507 564283418 /nfs/dbraw/zinc/28/34/18/564283418.db2.gz VOLAHAWQSOYVLP-UHFFFAOYSA-N -2 3 377.647 2.682 20 0 GFADHL CC(C)(CCC[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000542841435 564328514 /nfs/dbraw/zinc/32/85/14/564328514.db2.gz DZPDQTKTRHUNNN-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2[O-])c([O-])c1 ZINC000543538496 564354216 /nfs/dbraw/zinc/35/42/16/564354216.db2.gz IDIYHIYFKWDAIE-UHFFFAOYSA-N -2 3 393.237 2.927 20 0 GFADHL CCC1CCC(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000476980805 564360851 /nfs/dbraw/zinc/36/08/51/564360851.db2.gz OHAFWSQRVKYXCN-UHFFFAOYSA-N -2 3 392.518 2.692 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCOCC2)c1 ZINC000545549732 564427293 /nfs/dbraw/zinc/42/72/93/564427293.db2.gz IIYSIAJIMQZLIO-UHFFFAOYSA-N -2 3 385.438 2.570 20 0 GFADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)C2CC2)n1 ZINC000546970426 564476150 /nfs/dbraw/zinc/47/61/50/564476150.db2.gz NZYOWNHHJRLPNQ-CQSZACIVSA-N -2 3 382.463 2.593 20 0 GFADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000547546937 564492533 /nfs/dbraw/zinc/49/25/33/564492533.db2.gz BICRQRNEZOIACM-UHFFFAOYSA-N -2 3 382.419 2.957 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547565796 564494895 /nfs/dbraw/zinc/49/48/95/564494895.db2.gz PKTLKFFKLHBDAF-TZMCWYRMSA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000547565663 564494996 /nfs/dbraw/zinc/49/49/96/564494996.db2.gz OEPAUIBEAPPNFX-GFCCVEGCSA-N -2 3 375.780 2.592 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000547610386 564502767 /nfs/dbraw/zinc/50/27/67/564502767.db2.gz OMXLBYIIPVHMJS-AWEZNQCLSA-N -2 3 384.797 2.661 20 0 GFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000570393077 564503789 /nfs/dbraw/zinc/50/37/89/564503789.db2.gz BFLPGJPTIWZZGN-GXTWGEPZSA-N -2 3 389.788 2.579 20 0 GFADHL C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000547616929 564504126 /nfs/dbraw/zinc/50/41/26/564504126.db2.gz FUQKVFIIIROASX-MEDUHNTESA-N -2 3 378.837 2.952 20 0 GFADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)CC(=O)[O-] ZINC000516561071 564504993 /nfs/dbraw/zinc/50/49/93/564504993.db2.gz DDGPLEDHBIUPNI-SECBINFHSA-N -2 3 383.388 2.842 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000516863170 564514015 /nfs/dbraw/zinc/51/40/15/564514015.db2.gz WRSXRNDDEGUHBJ-GZMMTYOYSA-N -2 3 382.251 2.612 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000516863172 564514332 /nfs/dbraw/zinc/51/43/32/564514332.db2.gz WRSXRNDDEGUHBJ-KWQFWETISA-N -2 3 382.251 2.612 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000570777177 564520603 /nfs/dbraw/zinc/52/06/03/564520603.db2.gz OQZZSSGBDMFAMU-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ccc(C(=O)[O-])o3)s2)cs1 ZINC000547932066 564522892 /nfs/dbraw/zinc/52/28/92/564522892.db2.gz VBFWVNNHLSLNRY-UHFFFAOYSA-N -2 3 384.460 2.950 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000547938378 564523799 /nfs/dbraw/zinc/52/37/99/564523799.db2.gz UPTOXNPWCUABOY-GFCCVEGCSA-N -2 3 393.248 2.572 20 0 GFADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)(C(=O)[O-])C1(C)C ZINC000548028174 564528254 /nfs/dbraw/zinc/52/82/54/564528254.db2.gz PUKFMKULTMVVER-XJKSGUPXSA-N -2 3 393.864 2.724 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H](C)Cc1cccs1 ZINC000570960159 564529660 /nfs/dbraw/zinc/52/96/60/564529660.db2.gz SMYBWGLLXLDXQZ-SECBINFHSA-N -2 3 375.493 2.674 20 0 GFADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000548196472 564535165 /nfs/dbraw/zinc/53/51/65/564535165.db2.gz FIEONCQOZDMBTM-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000548206043 564536776 /nfs/dbraw/zinc/53/67/76/564536776.db2.gz UYHJKGSQYQQCLH-UHFFFAOYSA-N -2 3 395.289 2.598 20 0 GFADHL Cc1cc(CS(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)on1 ZINC000548261624 564544403 /nfs/dbraw/zinc/54/44/03/564544403.db2.gz GZVDWAUIZLHMFG-GFCCVEGCSA-N -2 3 379.221 2.535 20 0 GFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000548290719 564547170 /nfs/dbraw/zinc/54/71/70/564547170.db2.gz CTYBVEBGZOIUAN-QMMMGPOBSA-N -2 3 382.251 2.756 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])s1 ZINC000548545442 564558135 /nfs/dbraw/zinc/55/81/35/564558135.db2.gz PJMBLXOTNQLHAQ-SECBINFHSA-N -2 3 384.317 2.987 20 0 GFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000548554823 564559360 /nfs/dbraw/zinc/55/93/60/564559360.db2.gz CMGVWKPGMZADKE-SNVBAGLBSA-N -2 3 388.873 2.537 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1c(F)cccc1F ZINC000548595418 564565583 /nfs/dbraw/zinc/56/55/83/564565583.db2.gz PVQLHLQRILKMKC-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c(F)cc1Br ZINC000520195492 564598908 /nfs/dbraw/zinc/59/89/08/564598908.db2.gz ZQXKHLSFMPGZOY-UHFFFAOYSA-N -2 3 382.251 2.820 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551593062 564657038 /nfs/dbraw/zinc/65/70/38/564657038.db2.gz XDJPUAXVNYKMPZ-LBPRGKRZSA-N -2 3 384.679 2.882 20 0 GFADHL CC[C@@](C)([N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)c1nc(C)cs1 ZINC000573917423 564660015 /nfs/dbraw/zinc/66/00/15/564660015.db2.gz UNUKYBQDBORECG-MRXNPFEDSA-N -2 3 386.470 2.821 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000527052006 564727972 /nfs/dbraw/zinc/72/79/72/564727972.db2.gz WNZJONHZKJMXSQ-RYUDHWBXSA-N -2 3 393.889 2.533 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]CCC[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000555374610 564791615 /nfs/dbraw/zinc/79/16/15/564791615.db2.gz SRNAOJQUZZYSCD-AWEZNQCLSA-N -2 3 382.507 2.708 20 0 GFADHL Cc1c(Br)cc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1C(=O)[O-] ZINC000556348843 564820036 /nfs/dbraw/zinc/82/00/36/564820036.db2.gz HUUXFRFAOYBQDN-LLVKDONJSA-N -2 3 392.271 2.767 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]CCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000558736381 564913086 /nfs/dbraw/zinc/91/30/86/564913086.db2.gz PEUVQLDXDLEHSS-AWEZNQCLSA-N -2 3 383.491 2.759 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Cl ZINC000500329150 564950497 /nfs/dbraw/zinc/95/04/97/564950497.db2.gz MUWLFEBNOLNTIA-UHFFFAOYSA-N -2 3 377.752 2.882 20 0 GFADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000467076828 564955312 /nfs/dbraw/zinc/95/53/12/564955312.db2.gz WXIKYYXIUOFYSI-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL Cc1nc(C=Cc2cc(Br)cc3c2OCC3)[n-]c(=O)c1CC(=O)[O-] ZINC000504732392 565043704 /nfs/dbraw/zinc/04/37/04/565043704.db2.gz RHHMEBNUZQYBEV-NSCUHMNNSA-N -2 3 391.221 2.986 20 0 GFADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc3sc(C(=O)[O-])cc3c2)no1 ZINC000563073598 565054898 /nfs/dbraw/zinc/05/48/98/565054898.db2.gz XNOUJUDJDVBELZ-UHFFFAOYSA-N -2 3 381.435 2.505 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c[n-]1 ZINC000585730372 565108224 /nfs/dbraw/zinc/10/82/24/565108224.db2.gz NGXPYPCINPMWTA-UHFFFAOYSA-N -2 3 378.237 2.835 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C(C)C)C2CC2)c(F)c1 ZINC000660044276 565243003 /nfs/dbraw/zinc/24/30/03/565243003.db2.gz OSWRFQDABDETBH-MRXNPFEDSA-N -2 3 392.518 2.690 20 0 GFADHL CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663423895 565419208 /nfs/dbraw/zinc/41/92/08/565419208.db2.gz KCUJVOSHXRDGFK-BONVTDFDSA-N -2 3 387.841 2.994 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F ZINC000663435228 565420372 /nfs/dbraw/zinc/42/03/72/565420372.db2.gz AHFAANPZXXFCIR-UHFFFAOYSA-N -2 3 375.390 2.712 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000645947401 565577228 /nfs/dbraw/zinc/57/72/28/565577228.db2.gz DQAZXTJWKRXNEY-HTQZYQBOSA-N -2 3 387.401 2.854 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]Cc1cc(C(C)C)no1 ZINC000645970582 565579018 /nfs/dbraw/zinc/57/90/18/565579018.db2.gz GCTSOZJUFVWORA-UHFFFAOYSA-N -2 3 388.829 2.637 20 0 GFADHL CC(C)c1nc(S(=O)(=O)[N-]Cc2c3ccccc3sc2C(=O)[O-])c[nH]1 ZINC000646021962 565582269 /nfs/dbraw/zinc/58/22/69/565582269.db2.gz PRGCHFZAKSSZSJ-UHFFFAOYSA-N -2 3 379.463 2.925 20 0 GFADHL CCn1cc(S(=O)(=O)[N-]Cc2c3ccccc3sc2C(=O)[O-])nc1C ZINC000646021850 565582615 /nfs/dbraw/zinc/58/26/15/565582615.db2.gz DFAPTJRHCWAQTD-UHFFFAOYSA-N -2 3 379.463 2.603 20 0 GFADHL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1cc([O-])cc(Br)c1 ZINC000629104756 565823659 /nfs/dbraw/zinc/82/36/59/565823659.db2.gz VWSJRTQGHNQKEB-UHFFFAOYSA-N -2 3 384.255 2.574 20 0 GFADHL COc1ccncc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000650681548 565830203 /nfs/dbraw/zinc/83/02/03/565830203.db2.gz AEWUQXXCEFIOHY-UHFFFAOYSA-N -2 3 384.479 2.626 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000629294751 565837603 /nfs/dbraw/zinc/83/76/03/565837603.db2.gz BGLBQNAWXASZBP-KGLIPLIRSA-N -2 3 387.454 2.710 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)cc1F ZINC000629343737 565847186 /nfs/dbraw/zinc/84/71/86/565847186.db2.gz PDLQNVGESPVVFF-UHFFFAOYSA-N -2 3 383.363 2.854 20 0 GFADHL COc1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000681555967 566111376 /nfs/dbraw/zinc/11/13/76/566111376.db2.gz KTMOJVYKDYFUPZ-CQSZACIVSA-N -2 3 387.816 2.982 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000681569059 566113600 /nfs/dbraw/zinc/11/36/00/566113600.db2.gz WGBNQJUXKSMHTN-NSHDSACASA-N -2 3 395.380 2.880 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-] ZINC000681576435 566114922 /nfs/dbraw/zinc/11/49/22/566114922.db2.gz JJKJNNHSAHGCCM-UHFFFAOYSA-N -2 3 394.287 2.627 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000737225689 599029393 /nfs/dbraw/zinc/02/93/93/599029393.db2.gz GUNSFINBQOFXTD-CYBMUJFWSA-N -2 3 389.485 2.780 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000737225689 599029395 /nfs/dbraw/zinc/02/93/95/599029395.db2.gz GUNSFINBQOFXTD-CYBMUJFWSA-N -2 3 389.485 2.780 20 0 GFADHL CCSCc1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000736666788 599097865 /nfs/dbraw/zinc/09/78/65/599097865.db2.gz ODHQUBMOYQLVDM-UHFFFAOYSA-N -2 3 375.479 2.921 20 0 GFADHL Cc1ccsc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000737442195 599099011 /nfs/dbraw/zinc/09/90/11/599099011.db2.gz NIGWOPCCVXCGHN-UHFFFAOYSA-N -2 3 379.467 2.825 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCC(=O)[O-])c2)cc1 ZINC000262569475 597276738 /nfs/dbraw/zinc/27/67/38/597276738.db2.gz CCPOUFGHJKIOTQ-UHFFFAOYSA-N -2 3 390.461 2.699 20 0 GFADHL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)c2)o1 ZINC000737446696 598557266 /nfs/dbraw/zinc/55/72/66/598557266.db2.gz STBQEWPDBKKIMU-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL O=S(=O)([N-]c1ccc(Oc2ccccc2)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738342132 598608285 /nfs/dbraw/zinc/60/82/85/598608285.db2.gz LWQLMBLOFMMSIC-UHFFFAOYSA-N -2 3 394.416 2.855 20 0 GFADHL COc1cccc(-c2nsc([N-]C(=O)c3sccc3-c3nn[n-]n3)n2)c1 ZINC000737120512 598609381 /nfs/dbraw/zinc/60/93/81/598609381.db2.gz CNCMOVZWYDHDIK-UHFFFAOYSA-N -2 3 385.434 2.708 20 0 GFADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821049633 599623051 /nfs/dbraw/zinc/62/30/51/599623051.db2.gz LWIFATXOTNQSCU-NSHDSACASA-N -2 3 399.904 2.932 20 0 GFADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821049633 599623052 /nfs/dbraw/zinc/62/30/52/599623052.db2.gz LWIFATXOTNQSCU-NSHDSACASA-N -2 3 399.904 2.932 20 0 GFADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C ZINC000826249500 607397568 /nfs/dbraw/zinc/39/75/68/607397568.db2.gz GFHOGSPKBHUBFL-UHFFFAOYSA-N -2 3 399.476 2.528 20 0 GFADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C ZINC000826249500 607397570 /nfs/dbraw/zinc/39/75/70/607397570.db2.gz GFHOGSPKBHUBFL-UHFFFAOYSA-N -2 3 399.476 2.528 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)ccc1O ZINC000740090088 600099729 /nfs/dbraw/zinc/09/97/29/600099729.db2.gz RSKGWFFOPZFOBP-UHFFFAOYSA-N -2 3 393.808 2.730 20 0 GFADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C(=O)[O-])cc1 ZINC000738569466 600171592 /nfs/dbraw/zinc/17/15/92/600171592.db2.gz GCSSGTIBUYKITE-NSHDSACASA-N -2 3 389.260 2.844 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1 ZINC000605654983 600256297 /nfs/dbraw/zinc/25/62/97/600256297.db2.gz LSZKXMNKZRLTSO-UHFFFAOYSA-N -2 3 391.445 2.991 20 0 GFADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(CN(C)C(=O)[O-])cc3)ccc2O1 ZINC000736825618 600300127 /nfs/dbraw/zinc/30/01/27/600300127.db2.gz OQHQSMXZDUURHN-GFCCVEGCSA-N -2 3 376.434 2.921 20 0 GFADHL CC(C)(C)[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736241151 600502172 /nfs/dbraw/zinc/50/21/72/600502172.db2.gz HDFMRELVHPEGNZ-CQSZACIVSA-N -2 3 385.413 2.889 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(C)C ZINC000736920133 600633714 /nfs/dbraw/zinc/63/37/14/600633714.db2.gz HHTOUIDOXDCUEH-NSHDSACASA-N -2 3 382.251 2.999 20 0 GFADHL C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000832730727 600684317 /nfs/dbraw/zinc/68/43/17/600684317.db2.gz UEDXERMTWZUJCK-JOCHJYFZSA-N -2 3 393.895 2.779 20 0 GFADHL COC(=O)c1sc2[n-]c(CS[C@H](C)C(C)C)nc(=O)c2c1CC(=O)[O-] ZINC000831480192 600845094 /nfs/dbraw/zinc/84/50/94/600845094.db2.gz YLMBDIUKHNVVIP-MRVPVSSYSA-N -2 3 384.479 2.676 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)cc1C(=O)[O-] ZINC000746055288 600867986 /nfs/dbraw/zinc/86/79/86/600867986.db2.gz BUPIQPSYCMXRJA-UHFFFAOYSA-N -2 3 390.417 2.759 20 0 GFADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000737691033 600888013 /nfs/dbraw/zinc/88/80/13/600888013.db2.gz IEXHDRASOUNBMI-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000518818525 601220715 /nfs/dbraw/zinc/22/07/15/601220715.db2.gz VDXZJHZBGRWFKQ-CQSZACIVSA-N -2 3 389.351 2.975 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCN(c3ccc(C)cc3)C2)cc1C(=O)[O-] ZINC000832937625 601223464 /nfs/dbraw/zinc/22/34/64/601223464.db2.gz AIMCTHFIPDGKER-AWEZNQCLSA-N -2 3 378.450 2.542 20 0 GFADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000826636856 601224446 /nfs/dbraw/zinc/22/44/46/601224446.db2.gz QLWGHHWQVRBOQE-LFYBBSHMSA-N -2 3 391.445 2.735 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)c1F ZINC000833294502 601234347 /nfs/dbraw/zinc/23/43/47/601234347.db2.gz DUVQIWKFDZVCHZ-DYVFJYSZSA-N -2 3 397.399 2.862 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)c1F ZINC000833295139 601234362 /nfs/dbraw/zinc/23/43/62/601234362.db2.gz LJTBNPPNWVECOG-LBPRGKRZSA-N -2 3 383.372 2.855 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)c1F ZINC000833294501 601234439 /nfs/dbraw/zinc/23/44/39/601234439.db2.gz DUVQIWKFDZVCHZ-CXAGYDPISA-N -2 3 397.399 2.862 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)c1F ZINC000833294706 601237530 /nfs/dbraw/zinc/23/75/30/601237530.db2.gz VOBPMXWVAGKQAC-UHFFFAOYSA-N -2 3 398.362 2.804 20 0 GFADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(F)cc1F ZINC000831327325 601322109 /nfs/dbraw/zinc/32/21/09/601322109.db2.gz HKHDIFSNXRYECN-DAXSKMNVSA-N -2 3 397.355 2.650 20 0 GFADHL CN(CCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(=O)[O-] ZINC000830755747 601437783 /nfs/dbraw/zinc/43/77/83/601437783.db2.gz ACJWMFQLPRCPBO-UHFFFAOYSA-N -2 3 397.859 2.613 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000827741668 601518776 /nfs/dbraw/zinc/51/87/76/601518776.db2.gz PHYMCFADNHLXQZ-SNVBAGLBSA-N -2 3 399.856 2.625 20 0 GFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000832794634 601688515 /nfs/dbraw/zinc/68/85/15/601688515.db2.gz KEKMGOPVVSPFAC-UHFFFAOYSA-N -2 3 382.467 2.917 20 0 GFADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000826417275 607528259 /nfs/dbraw/zinc/52/82/59/607528259.db2.gz KRJUOQLOVPBKNO-UHFFFAOYSA-N -2 3 393.325 2.512 20 0 GFADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C(=O)[O-])c3)cc2F)c1 ZINC000466352425 601855915 /nfs/dbraw/zinc/85/59/15/601855915.db2.gz IBPWGLRAQMSJGQ-UHFFFAOYSA-N -2 3 393.371 2.958 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1F ZINC000832887416 601883113 /nfs/dbraw/zinc/88/31/13/601883113.db2.gz XVIZIIMAJFPYAP-LBPRGKRZSA-N -2 3 387.379 2.634 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c1-c1nn[n-]n1 ZINC000826303956 607534569 /nfs/dbraw/zinc/53/45/69/607534569.db2.gz OCVXDMRNKYYXRQ-UHFFFAOYSA-N -2 3 399.476 2.903 20 0 GFADHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000740514078 602316491 /nfs/dbraw/zinc/31/64/91/602316491.db2.gz XQXCRERPJRTBMG-SECBINFHSA-N -2 3 384.351 2.513 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739996200 602457432 /nfs/dbraw/zinc/45/74/32/602457432.db2.gz PJZDSSJXIQYEOK-AWEZNQCLSA-N -2 3 391.449 2.786 20 0 GFADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(C)C(=O)[O-])cc1 ZINC000740166842 603332604 /nfs/dbraw/zinc/33/26/04/603332604.db2.gz PPXCVXBHHFSJMG-UHFFFAOYSA-N -2 3 391.449 2.653 20 0 GFADHL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000829193201 603388320 /nfs/dbraw/zinc/38/83/20/603388320.db2.gz YQECSUNYQSCXSQ-UHFFFAOYSA-N -2 3 379.682 2.828 20 0 GFADHL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000829193201 603388324 /nfs/dbraw/zinc/38/83/24/603388324.db2.gz YQECSUNYQSCXSQ-UHFFFAOYSA-N -2 3 379.682 2.828 20 0 GFADHL COc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2[O-])cc1-c1nnn[n-]1 ZINC000826201537 607635702 /nfs/dbraw/zinc/63/57/02/607635702.db2.gz VPGAQXHEZOPZLX-UHFFFAOYSA-N -2 3 394.218 2.818 20 0 GFADHL COc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2[O-])cc1-c1nn[n-]n1 ZINC000826201537 607635703 /nfs/dbraw/zinc/63/57/03/607635703.db2.gz VPGAQXHEZOPZLX-UHFFFAOYSA-N -2 3 394.218 2.818 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccnc2Br)c1C ZINC000389547005 604404183 /nfs/dbraw/zinc/40/41/83/604404183.db2.gz OBSYWSRJDNLDPX-UHFFFAOYSA-N -2 3 385.239 2.960 20 0 GFADHL C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC000833631635 604744552 /nfs/dbraw/zinc/74/45/52/604744552.db2.gz MNAWPDQKKVFWPP-GFCCVEGCSA-N -2 3 394.424 2.550 20 0 GFADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000825913148 604805924 /nfs/dbraw/zinc/80/59/24/604805924.db2.gz KSLLNDKARFFQCU-UHFFFAOYSA-N -2 3 398.824 2.563 20 0 GFADHL C[C@]1([N-]S(=O)(=O)c2ccc(Br)s2)CCCC[C@H]1C(=O)[O-] ZINC000833569558 604808266 /nfs/dbraw/zinc/80/82/66/604808266.db2.gz MUFNRNGRRCMBJX-UFBFGSQYSA-N -2 3 382.301 2.822 20 0 GFADHL CC(C)[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)N1CCC(C(=O)[O-])CC1 ZINC000833471765 605275761 /nfs/dbraw/zinc/27/57/61/605275761.db2.gz IRAUAOSAMNPCTO-HNNXBMFYSA-N -2 3 383.828 2.550 20 0 GFADHL O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000834078820 605423816 /nfs/dbraw/zinc/42/38/16/605423816.db2.gz VUEWTOBWLMOWDH-QMMMGPOBSA-N -2 3 386.779 2.637 20 0 GFADHL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000832149403 605881628 /nfs/dbraw/zinc/88/16/28/605881628.db2.gz ZQPUXLSAWNYQGJ-AWEZNQCLSA-N -2 3 393.237 2.650 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c2ccccc12 ZINC000821846730 606211984 /nfs/dbraw/zinc/21/19/84/606211984.db2.gz YZEWEVNASTUWJX-UHFFFAOYSA-N -2 3 397.416 2.535 20 0 GFADHL O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1c(F)cc([O-])cc1F ZINC000823422522 606561771 /nfs/dbraw/zinc/56/17/71/606561771.db2.gz UZKYTFTUGGPASA-UHFFFAOYSA-N -2 3 398.272 2.809 20 0 GFADHL O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1c(F)cc([O-])cc1F ZINC000823422522 606561773 /nfs/dbraw/zinc/56/17/73/606561773.db2.gz UZKYTFTUGGPASA-UHFFFAOYSA-N -2 3 398.272 2.809 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000821308627 606598295 /nfs/dbraw/zinc/59/82/95/606598295.db2.gz DTESGWVPQZLETR-UHFFFAOYSA-N -2 3 396.835 2.892 20 0 GFADHL CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000819897828 606623187 /nfs/dbraw/zinc/62/31/87/606623187.db2.gz ANMWLRXZVMGAPO-UHFFFAOYSA-N -2 3 385.449 2.896 20 0 GFADHL CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000819897828 606623189 /nfs/dbraw/zinc/62/31/89/606623189.db2.gz ANMWLRXZVMGAPO-UHFFFAOYSA-N -2 3 385.449 2.896 20 0 GFADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000820541677 606832496 /nfs/dbraw/zinc/83/24/96/606832496.db2.gz IAAXNIPHRKKZKD-VIFPVBQESA-N -2 3 382.405 2.703 20 0 GFADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000820541677 606832498 /nfs/dbraw/zinc/83/24/98/606832498.db2.gz IAAXNIPHRKKZKD-VIFPVBQESA-N -2 3 382.405 2.703 20 0 GFADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821394967 607034408 /nfs/dbraw/zinc/03/44/08/607034408.db2.gz RBFPHNCYDPZQOI-UHFFFAOYSA-N -2 3 379.829 2.720 20 0 GFADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821394967 607034410 /nfs/dbraw/zinc/03/44/10/607034410.db2.gz RBFPHNCYDPZQOI-UHFFFAOYSA-N -2 3 379.829 2.720 20 0 GFADHL C[C@](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000820225556 607120501 /nfs/dbraw/zinc/12/05/01/607120501.db2.gz LCWLNYNOYAGHKX-GOSISDBHSA-N -2 3 385.811 2.891 20 0 GFADHL C[C@](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000820225556 607120502 /nfs/dbraw/zinc/12/05/02/607120502.db2.gz LCWLNYNOYAGHKX-GOSISDBHSA-N -2 3 385.811 2.891 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000821304494 607143820 /nfs/dbraw/zinc/14/38/20/607143820.db2.gz HMISRAKLJDAGKJ-UHFFFAOYSA-N -2 3 381.421 2.981 20 0 GFADHL O=S(=O)([N-]c1cnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826492734 608528897 /nfs/dbraw/zinc/52/88/97/608528897.db2.gz AJGXKZQJKUCUGK-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000124299796 654774066 /nfs/dbraw/zinc/77/40/66/654774066.db2.gz RDVYSMOXEKNMNP-SNVBAGLBSA-N -2 3 380.260 2.987 20 0 GFADHL O=C([N-][N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc2ccccc2n1 ZINC000055546244 654776179 /nfs/dbraw/zinc/77/61/79/654776179.db2.gz IHGFXMLGPNODKB-UHFFFAOYSA-N -2 3 379.800 2.651 20 0 GFADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000184963488 655361262 /nfs/dbraw/zinc/36/12/62/655361262.db2.gz JBWCTXFYWYUBGE-UHFFFAOYSA-N -2 3 379.221 2.775 20 0 GFADHL COCCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCCC1 ZINC000761311842 656010465 /nfs/dbraw/zinc/01/04/65/656010465.db2.gz HPGGCPBZOBYUIM-UHFFFAOYSA-N -2 3 377.409 2.538 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000776573078 656761232 /nfs/dbraw/zinc/76/12/32/656761232.db2.gz YODKZUFANAKDLL-LLVKDONJSA-N -2 3 389.260 2.925 20 0 GFADHL O=C([O-])C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776615537 656767585 /nfs/dbraw/zinc/76/75/85/656767585.db2.gz YCUDDYZKKZIRCA-LLVKDONJSA-N -2 3 389.260 2.753 20 0 GFADHL CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000788292155 657692314 /nfs/dbraw/zinc/69/23/14/657692314.db2.gz FNUVWYAWJPGNRU-UHFFFAOYSA-N -2 3 384.281 2.911 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c(C)c1Cl ZINC000788441493 657717895 /nfs/dbraw/zinc/71/78/95/657717895.db2.gz LCZLNJCNBXZVDO-MRVPVSSYSA-N -2 3 397.902 2.808 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)CC1CCCC1 ZINC000790615969 658002175 /nfs/dbraw/zinc/00/21/75/658002175.db2.gz JCMHIJHMEJFCDH-LLVKDONJSA-N -2 3 380.388 2.660 20 0 GFADHL C[C@H]1CC(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C[C@H](C)O1 ZINC000802722828 659496302 /nfs/dbraw/zinc/49/63/02/659496302.db2.gz LHMSOOFTTHOTAS-UWVGGRQHSA-N -2 3 377.409 2.535 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c(C)c1Cl ZINC000841776568 661312159 /nfs/dbraw/zinc/31/21/59/661312159.db2.gz LIHULXVPXYMVHG-UHFFFAOYSA-N -2 3 395.886 2.562 20 0 GFADHL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c1 ZINC000844806292 661441426 /nfs/dbraw/zinc/44/14/26/661441426.db2.gz VSYLLXPGWHAAIF-VIFPVBQESA-N -2 3 383.800 2.567 20 0 GFADHL COc1cnc([C@H]2CCCN2C(=O)c2ccc(Br)c([O-])c2)[n-]c1=O ZINC000889789676 663267258 /nfs/dbraw/zinc/26/72/58/663267258.db2.gz IZTCPXBZJLUDAZ-LLVKDONJSA-N -2 3 394.225 2.636 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)CCS2 ZINC000899948634 663703670 /nfs/dbraw/zinc/70/36/70/663703670.db2.gz HGYYHXRIFXGYKX-QMJNDHNRSA-N -2 3 393.889 2.886 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCSC3(CC(C(=O)[O-])C3)C2)c(F)cc1F ZINC000899948901 663703682 /nfs/dbraw/zinc/70/36/82/663703682.db2.gz JVEOQJQJUNDEET-CSJGVYOVSA-N -2 3 391.461 2.681 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])sc1Br ZINC000123581567 551307110 /nfs/dbraw/zinc/30/71/10/551307110.db2.gz OTDTXUNNTGOQGA-DTWKUNHWSA-N -2 3 382.301 2.741 20 0 GFADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1c(F)cccc1F ZINC000127264484 551339228 /nfs/dbraw/zinc/33/92/28/551339228.db2.gz BYCXVUCRVLYLEY-UHFFFAOYSA-N -2 3 378.194 2.911 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1nc(C)cs1 ZINC000185008021 552350600 /nfs/dbraw/zinc/35/06/00/552350600.db2.gz KEAMGSJCYFOCQK-LLVKDONJSA-N -2 3 376.406 2.858 20 0 GFADHL CC[C@@H](C)[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000237025164 553073918 /nfs/dbraw/zinc/07/39/18/553073918.db2.gz DTKQHHCRCGJIEP-CLAHSXSESA-N -2 3 381.226 2.520 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000262374289 553169684 /nfs/dbraw/zinc/16/96/84/553169684.db2.gz FWTVJGZHGUIBMD-NHYWBVRUSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCOC(F)(F)F)cc1C(F)(F)F ZINC000516123878 564494128 /nfs/dbraw/zinc/49/41/28/564494128.db2.gz SHYCPVDQEAAXSI-UHFFFAOYSA-N -2 3 381.250 2.682 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000312684029 563436828 /nfs/dbraw/zinc/43/68/28/563436828.db2.gz AJUWEUTWKDHWSH-JTQLQIEISA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@H]1CCOC2(CCC2)C1 ZINC000372260038 563300498 /nfs/dbraw/zinc/30/04/98/563300498.db2.gz FWCLKBRQYNQHHT-HZMBPMFUSA-N -2 3 391.848 2.560 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000424372682 563377462 /nfs/dbraw/zinc/37/74/62/563377462.db2.gz WXZFOGITQKAUCX-UHFFFAOYSA-N -2 3 384.317 2.988 20 0 GFADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000317442688 563442630 /nfs/dbraw/zinc/44/26/30/563442630.db2.gz UVICNRPUXZCMCG-GFCCVEGCSA-N -2 3 394.287 2.625 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CCC1 ZINC000399287511 563533580 /nfs/dbraw/zinc/53/35/80/563533580.db2.gz WEWLNNNUOWZLOE-LLVKDONJSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)c(F)c1 ZINC000432738874 563591479 /nfs/dbraw/zinc/59/14/79/563591479.db2.gz NNUNVGMZVJWUHH-UHFFFAOYSA-N -2 3 379.743 2.934 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CCOC2(CCC2)C1 ZINC000368800295 563879473 /nfs/dbraw/zinc/87/94/73/563879473.db2.gz MZFZTNXVOXHNEX-IINYFYTJSA-N -2 3 391.848 2.560 20 0 GFADHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccoc1 ZINC000506602354 564206554 /nfs/dbraw/zinc/20/65/54/564206554.db2.gz WHIIFYKYHBSQMT-UHFFFAOYSA-N -2 3 378.431 2.881 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000564854223 564252774 /nfs/dbraw/zinc/25/27/74/564252774.db2.gz KHELTMYLKJRZQQ-IINYFYTJSA-N -2 3 387.841 2.553 20 0 GFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000565340138 564276737 /nfs/dbraw/zinc/27/67/37/564276737.db2.gz UCSMIRKEXXQCBC-QMMMGPOBSA-N -2 3 387.351 2.892 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCSC1 ZINC000567232182 564362797 /nfs/dbraw/zinc/36/27/97/564362797.db2.gz GZUCNNNRFKFBBS-AWEZNQCLSA-N -2 3 375.855 2.633 20 0 GFADHL CC[C@](C)([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)c1nccs1 ZINC000567798037 564389004 /nfs/dbraw/zinc/38/90/04/564389004.db2.gz IPVQAFUFQWMZFN-ZDUSSCGKSA-N -2 3 376.481 2.515 20 0 GFADHL O=C([O-])c1csc(C[N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000547551664 564493146 /nfs/dbraw/zinc/49/31/46/564493146.db2.gz HRBBOLUNSSDSES-UHFFFAOYSA-N -2 3 381.262 2.768 20 0 GFADHL Cc1nc(CCC[N-]S(=O)(=O)c2cc(F)ccc2Cl)sc1C(=O)[O-] ZINC000547559020 564494223 /nfs/dbraw/zinc/49/42/23/564494223.db2.gz SQMDYLLYSJIGAN-UHFFFAOYSA-N -2 3 392.861 2.853 20 0 GFADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c1 ZINC000547577580 564497378 /nfs/dbraw/zinc/49/73/78/564497378.db2.gz UVVNGHWKSWVRQR-SNVBAGLBSA-N -2 3 394.287 2.770 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-] ZINC000547608071 564501392 /nfs/dbraw/zinc/50/13/92/564501392.db2.gz IVVAVQXJFNGMKS-ZDUSSCGKSA-N -2 3 388.898 2.643 20 0 GFADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(F)c(C)c(C(=O)[O-])c3)CCC2)n1 ZINC000570636298 564515174 /nfs/dbraw/zinc/51/51/74/564515174.db2.gz JYSOJNSFTSZMFJ-UHFFFAOYSA-N -2 3 384.454 2.955 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000547937938 564523639 /nfs/dbraw/zinc/52/36/39/564523639.db2.gz RVYFHNSPHUEHLC-LBPRGKRZSA-N -2 3 381.878 2.910 20 0 GFADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)(C(=O)[O-])C1(C)C ZINC000548028172 564528462 /nfs/dbraw/zinc/52/84/62/564528462.db2.gz PUKFMKULTMVVER-CJNGLKHVSA-N -2 3 393.864 2.724 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H](C)Cc1cccs1 ZINC000570960160 564529604 /nfs/dbraw/zinc/52/96/04/564529604.db2.gz SMYBWGLLXLDXQZ-VIFPVBQESA-N -2 3 375.493 2.674 20 0 GFADHL O=C([O-])c1csc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000548202524 564535663 /nfs/dbraw/zinc/53/56/63/564535663.db2.gz GXXRIFWPBWKKQZ-UHFFFAOYSA-N -2 3 381.262 2.768 20 0 GFADHL Cc1nc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000548206781 564536846 /nfs/dbraw/zinc/53/68/46/564536846.db2.gz IFXMNHAURDCFEY-GFCCVEGCSA-N -2 3 392.264 2.909 20 0 GFADHL Cc1nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1C ZINC000548235639 564540498 /nfs/dbraw/zinc/54/04/98/564540498.db2.gz MLKNBZKQIPUBOS-LBPRGKRZSA-N -2 3 392.264 2.530 20 0 GFADHL O=C([O-])[C@@H](CSCCc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000548265619 564545683 /nfs/dbraw/zinc/54/56/83/564545683.db2.gz FOJQZJNWVZUNQY-OAHLLOKOSA-N -2 3 383.466 2.533 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000548541244 564557129 /nfs/dbraw/zinc/55/71/29/564557129.db2.gz FXPAEPUSOVZTGY-GFCCVEGCSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548544361 564557649 /nfs/dbraw/zinc/55/76/49/564557649.db2.gz RLUDNFUDDGZPCW-CYBMUJFWSA-N -2 3 375.780 2.592 20 0 GFADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-])C1CC1 ZINC000551244597 564643816 /nfs/dbraw/zinc/64/38/16/564643816.db2.gz HZOFEWSSVGJXNZ-MADCSZMMSA-N -2 3 396.690 2.880 20 0 GFADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)c1nc(C)cs1 ZINC000573917422 564659500 /nfs/dbraw/zinc/65/95/00/564659500.db2.gz UNUKYBQDBORECG-INIZCTEOSA-N -2 3 386.470 2.821 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000556702682 564836608 /nfs/dbraw/zinc/83/66/08/564836608.db2.gz GQTPNURRTKTSIJ-RKDXNWHRSA-N -2 3 385.335 2.504 20 0 GFADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c3ccccc3Cl)cn21 ZINC000530141607 564866516 /nfs/dbraw/zinc/86/65/16/564866516.db2.gz HFLWRTMKSGNKAI-BMIGLBTASA-N -2 3 383.857 2.538 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000530339887 564876634 /nfs/dbraw/zinc/87/66/34/564876634.db2.gz GOOSRVUTWALYSR-UHFFFAOYSA-N -2 3 375.874 2.908 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c(Cl)c1Cl ZINC000530367502 564877663 /nfs/dbraw/zinc/87/76/63/564877663.db2.gz ZADOELUKGPKCHZ-SECBINFHSA-N -2 3 382.265 2.924 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ncc(C(=O)[O-])s1 ZINC000583381907 564889493 /nfs/dbraw/zinc/88/94/93/564889493.db2.gz RSDSSVLBYLJBLY-YFKPBYRVSA-N -2 3 386.398 2.961 20 0 GFADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000562939626 565048610 /nfs/dbraw/zinc/04/86/10/565048610.db2.gz MCCMKWWJQCOPQJ-ZCFIWIBFSA-N -2 3 397.705 2.625 20 0 GFADHL CCOC1CC(CC[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)C1 ZINC000563068734 565054192 /nfs/dbraw/zinc/05/41/92/565054192.db2.gz MUVGDYRKQPAVKC-UHFFFAOYSA-N -2 3 391.873 2.530 20 0 GFADHL O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000537365594 565057716 /nfs/dbraw/zinc/05/77/16/565057716.db2.gz AFJCRWWGLNOOFE-CQSZACIVSA-N -2 3 379.203 2.690 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCC1 ZINC000663257676 565404221 /nfs/dbraw/zinc/40/42/21/565404221.db2.gz XNTBGHFQJZMBMC-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1ccccc1OC(F)F)C(F)(F)F ZINC000663294088 565407871 /nfs/dbraw/zinc/40/78/71/565407871.db2.gz NXFAUYPMAAVQQC-QMMMGPOBSA-N -2 3 391.314 2.610 20 0 GFADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000650447561 565822252 /nfs/dbraw/zinc/82/22/52/565822252.db2.gz KUOBKNOYJJZZRA-UHFFFAOYSA-N -2 3 392.380 2.828 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000629298119 565838755 /nfs/dbraw/zinc/83/87/55/565838755.db2.gz ZEMNPXAKXLPTBS-MRVPVSSYSA-N -2 3 382.251 2.676 20 0 GFADHL Cc1c(Br)cc([N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)cc1C(=O)[O-] ZINC000629302484 565839331 /nfs/dbraw/zinc/83/93/31/565839331.db2.gz HGXKLSCSYMJZRY-JTQLQIEISA-N -2 3 392.271 2.765 20 0 GFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@H](C[C@H]3CCCOC3)C(=O)[O-])sc21 ZINC000629338951 565845685 /nfs/dbraw/zinc/84/56/85/565845685.db2.gz CJQBJRPGDTZRFU-TZMCWYRMSA-N -2 3 383.491 2.758 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000681568104 566113245 /nfs/dbraw/zinc/11/32/45/566113245.db2.gz IGMZGFYDHWJVDR-NSHDSACASA-N -2 3 394.396 2.883 20 0 GFADHL C[C@](CCF)([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000656724526 566157832 /nfs/dbraw/zinc/15/78/32/566157832.db2.gz LOIJJZGRHPSCGV-CQSZACIVSA-N -2 3 392.861 2.945 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000683140234 566184340 /nfs/dbraw/zinc/18/43/40/566184340.db2.gz PALFAMYVVALHDG-LBPRGKRZSA-N -2 3 384.679 2.882 20 0 GFADHL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736491970 598841004 /nfs/dbraw/zinc/84/10/04/598841004.db2.gz GQQGQNUOIVWYLV-UHFFFAOYSA-N -2 3 377.401 2.595 20 0 GFADHL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736491970 598841005 /nfs/dbraw/zinc/84/10/05/598841005.db2.gz GQQGQNUOIVWYLV-UHFFFAOYSA-N -2 3 377.401 2.595 20 0 GFADHL CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736462463 598842883 /nfs/dbraw/zinc/84/28/83/598842883.db2.gz CCCHMVNEXYIRAS-UHFFFAOYSA-N -2 3 391.428 2.986 20 0 GFADHL CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736462463 598842885 /nfs/dbraw/zinc/84/28/85/598842885.db2.gz CCCHMVNEXYIRAS-UHFFFAOYSA-N -2 3 391.428 2.986 20 0 GFADHL CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736422239 598855968 /nfs/dbraw/zinc/85/59/68/598855968.db2.gz JWORZSYGHMBIFA-OAHLLOKOSA-N -2 3 391.497 2.668 20 0 GFADHL CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736422239 598855970 /nfs/dbraw/zinc/85/59/70/598855970.db2.gz JWORZSYGHMBIFA-OAHLLOKOSA-N -2 3 391.497 2.668 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000737226046 598947712 /nfs/dbraw/zinc/94/77/12/598947712.db2.gz ZKWZCZXTSSGNGT-UHFFFAOYSA-N -2 3 399.354 2.875 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000737226046 598947713 /nfs/dbraw/zinc/94/77/13/598947713.db2.gz ZKWZCZXTSSGNGT-UHFFFAOYSA-N -2 3 399.354 2.875 20 0 GFADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000736331862 598975939 /nfs/dbraw/zinc/97/59/39/598975939.db2.gz MFDAHZKKYCFXRZ-AWEZNQCLSA-N -2 3 399.476 2.564 20 0 GFADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000736331862 598975941 /nfs/dbraw/zinc/97/59/41/598975941.db2.gz MFDAHZKKYCFXRZ-AWEZNQCLSA-N -2 3 399.476 2.564 20 0 GFADHL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3C)nc21 ZINC000737226702 599030401 /nfs/dbraw/zinc/03/04/01/599030401.db2.gz ZCNQMAUYVWYYGN-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3C)nc21 ZINC000737226702 599030402 /nfs/dbraw/zinc/03/04/02/599030402.db2.gz ZCNQMAUYVWYYGN-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc2cccnc21 ZINC000738346285 599157691 /nfs/dbraw/zinc/15/76/91/599157691.db2.gz XPQMXDBWPYAGOF-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc2cccnc21 ZINC000738346285 599157694 /nfs/dbraw/zinc/15/76/94/599157694.db2.gz XPQMXDBWPYAGOF-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736445058 598536193 /nfs/dbraw/zinc/53/61/93/598536193.db2.gz JFLACRMJIBIEFB-CYBMUJFWSA-N -2 3 379.486 2.668 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736445058 598536195 /nfs/dbraw/zinc/53/61/95/598536195.db2.gz JFLACRMJIBIEFB-CYBMUJFWSA-N -2 3 379.486 2.668 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sccc1C ZINC000821128432 599304525 /nfs/dbraw/zinc/30/45/25/599304525.db2.gz SYOVIDCGQPLDMB-UHFFFAOYSA-N -2 3 378.483 2.859 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000820177904 607375210 /nfs/dbraw/zinc/37/52/10/607375210.db2.gz DADUCJRSYIHJDE-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000820177904 607375211 /nfs/dbraw/zinc/37/52/11/607375211.db2.gz DADUCJRSYIHJDE-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000739927208 599858184 /nfs/dbraw/zinc/85/81/84/599858184.db2.gz OCXOTYYZYKXMJO-VIFPVBQESA-N -2 3 386.779 2.780 20 0 GFADHL O=C([O-])c1cc(F)ccc1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000740077658 600115498 /nfs/dbraw/zinc/11/54/98/600115498.db2.gz FGLHNHLPYGRUFV-MRXNPFEDSA-N -2 3 387.363 2.578 20 0 GFADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000485202112 600168272 /nfs/dbraw/zinc/16/82/72/600168272.db2.gz GOXKDLDQTSQUMF-HNNXBMFYSA-N -2 3 388.470 2.784 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000737758877 600396399 /nfs/dbraw/zinc/39/63/99/600396399.db2.gz CTNACZJTHKKRTR-AWEZNQCLSA-N -2 3 390.461 2.719 20 0 GFADHL COc1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000738040046 600420393 /nfs/dbraw/zinc/42/03/93/600420393.db2.gz QDFULTQBNYVQCA-OAHLLOKOSA-N -2 3 384.841 2.958 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000738347504 600472810 /nfs/dbraw/zinc/47/28/10/600472810.db2.gz NSIYBWWIFDTFKM-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1C(=O)[O-] ZINC000497956709 600545286 /nfs/dbraw/zinc/54/52/86/600545286.db2.gz AXFRFJCJUQKSDA-UHFFFAOYSA-N -2 3 377.418 2.983 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000267142226 600626246 /nfs/dbraw/zinc/62/62/46/600626246.db2.gz FRZGUWCUDFPYMU-KRWDZBQOSA-N -2 3 391.445 2.672 20 0 GFADHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736868783 600633675 /nfs/dbraw/zinc/63/36/75/600633675.db2.gz AXMNGEMHCOEXAE-JGVFFNPUSA-N -2 3 382.251 2.999 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cc1C ZINC000737703510 600888319 /nfs/dbraw/zinc/88/83/19/600888319.db2.gz YJADYKDDPKGALH-UHFFFAOYSA-N -2 3 385.344 2.559 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cc1 ZINC000267218594 600895761 /nfs/dbraw/zinc/89/57/61/600895761.db2.gz UGUBVHBWXHCYGT-UHFFFAOYSA-N -2 3 392.502 2.668 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000524813286 600899385 /nfs/dbraw/zinc/89/93/85/600899385.db2.gz YKIUDWRACWNRLZ-UHFFFAOYSA-N -2 3 393.461 2.875 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c(Cl)cc1Cl ZINC000270523547 601206707 /nfs/dbraw/zinc/20/67/07/601206707.db2.gz SHCYMRZJFDEFBA-UHFFFAOYSA-N -2 3 398.264 2.703 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)c1F ZINC000391115278 601231570 /nfs/dbraw/zinc/23/15/70/601231570.db2.gz ILWVTZSPJTUMAQ-UHFFFAOYSA-N -2 3 381.809 2.899 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)c1F ZINC000324327232 601233030 /nfs/dbraw/zinc/23/30/30/601233030.db2.gz JKGBGQLRLDLCGW-UHFFFAOYSA-N -2 3 379.743 2.934 20 0 GFADHL CCO[C@H](CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCC1 ZINC000829917518 601240466 /nfs/dbraw/zinc/24/04/66/601240466.db2.gz GZFVOLOZVBJASH-CYBMUJFWSA-N -2 3 391.436 2.927 20 0 GFADHL Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3F)c[nH]c2c1 ZINC000832960801 601240562 /nfs/dbraw/zinc/24/05/62/601240562.db2.gz STJJEYMDPMTAAT-UHFFFAOYSA-N -2 3 394.399 2.974 20 0 GFADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)o1 ZINC000546957675 601250897 /nfs/dbraw/zinc/25/08/97/601250897.db2.gz GRDINVCFJWHRJH-OAHLLOKOSA-N -2 3 381.450 2.823 20 0 GFADHL CSCCc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000826228958 607535521 /nfs/dbraw/zinc/53/55/21/607535521.db2.gz IHHZRPRXPMGQFY-UHFFFAOYSA-N -2 3 389.506 2.881 20 0 GFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@H]1C ZINC000252202995 602140224 /nfs/dbraw/zinc/14/02/24/602140224.db2.gz UMQZLXVOSLKKNR-VGMNWLOBSA-N -2 3 380.260 2.843 20 0 GFADHL CCc1cc(=O)[n-]c(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)n1 ZINC000830224792 602237056 /nfs/dbraw/zinc/23/70/56/602237056.db2.gz WCILTQNPXKCOSS-MRXNPFEDSA-N -2 3 380.242 2.597 20 0 GFADHL Cc1nc(C)c(CC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c(=O)[n-]1 ZINC000832994218 602262989 /nfs/dbraw/zinc/26/29/89/602262989.db2.gz FXTGKJHIWGNWQY-UHFFFAOYSA-N -2 3 381.388 2.597 20 0 GFADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000826418313 607594525 /nfs/dbraw/zinc/59/45/25/607594525.db2.gz AFGPNJHJBIQDGO-UHFFFAOYSA-N -2 3 393.325 2.512 20 0 GFADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000826418313 607594527 /nfs/dbraw/zinc/59/45/27/607594527.db2.gz AFGPNJHJBIQDGO-UHFFFAOYSA-N -2 3 393.325 2.512 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000830420829 603401657 /nfs/dbraw/zinc/40/16/57/603401657.db2.gz DYVZIXTYRLUELI-NSHDSACASA-N -3 3 378.406 2.823 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1F ZINC000833294891 604653846 /nfs/dbraw/zinc/65/38/46/604653846.db2.gz YTPOGYYMHKRFDC-LALPHHSUSA-N -2 3 379.384 2.527 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(Br)n1 ZINC000832952800 604798759 /nfs/dbraw/zinc/79/87/59/604798759.db2.gz ABRSNXMUUNRMMF-UHFFFAOYSA-N -2 3 389.202 2.791 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cc1OC ZINC000833729603 605168426 /nfs/dbraw/zinc/16/84/26/605168426.db2.gz QVFNGZGIGBMSFY-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833482623 605208780 /nfs/dbraw/zinc/20/87/80/605208780.db2.gz FWSQJXAZOWQBHF-MNOVXSKESA-N -2 3 377.409 2.535 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)c1 ZINC000833733769 605240742 /nfs/dbraw/zinc/24/07/42/605240742.db2.gz PIRMCRUYGDHXFS-UHFFFAOYSA-N -3 3 397.474 2.910 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000544096371 605332340 /nfs/dbraw/zinc/33/23/40/605332340.db2.gz GECYGBRECGAIEG-LLVKDONJSA-N -3 3 393.417 2.772 20 0 GFADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(Cl)c(Cl)c1 ZINC000823582914 606338147 /nfs/dbraw/zinc/33/81/47/606338147.db2.gz CZHKXQYSPURRMI-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(C)c1 ZINC000822195500 606622468 /nfs/dbraw/zinc/62/24/68/606622468.db2.gz UAJOPJIVMSVTEW-UHFFFAOYSA-N -2 3 389.485 2.544 20 0 GFADHL COCC[C@@H](C)Sc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC000821685661 606704619 /nfs/dbraw/zinc/70/46/19/606704619.db2.gz LWRHWLJWKNXGNK-SNVBAGLBSA-N -2 3 388.453 2.555 20 0 GFADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000819971318 606708771 /nfs/dbraw/zinc/70/87/71/606708771.db2.gz IHIVYCHEWGNAME-UHFFFAOYSA-N -2 3 399.480 2.547 20 0 GFADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821673944 606866036 /nfs/dbraw/zinc/86/60/36/606866036.db2.gz OZFVPAWLGQEAPV-SECBINFHSA-N -2 3 395.391 2.653 20 0 GFADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821673944 606866038 /nfs/dbraw/zinc/86/60/38/606866038.db2.gz OZFVPAWLGQEAPV-SECBINFHSA-N -2 3 395.391 2.653 20 0 GFADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)ccc2C)n1 ZINC000822403062 606872573 /nfs/dbraw/zinc/87/25/73/606872573.db2.gz JVQSHFIIGISFRK-UHFFFAOYSA-N -2 3 396.432 2.939 20 0 GFADHL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821127394 607112442 /nfs/dbraw/zinc/11/24/42/607112442.db2.gz GXOYWMGXGHQMCV-UHFFFAOYSA-N -2 3 377.401 2.595 20 0 GFADHL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825083262 608095587 /nfs/dbraw/zinc/09/55/87/608095587.db2.gz ZCJNMPKMHCJYKM-LLVKDONJSA-N -2 3 387.469 2.712 20 0 GFADHL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825083262 608095588 /nfs/dbraw/zinc/09/55/88/608095588.db2.gz ZCJNMPKMHCJYKM-LLVKDONJSA-N -2 3 387.469 2.712 20 0 GFADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081134 608095696 /nfs/dbraw/zinc/09/56/96/608095696.db2.gz GPRRMNIFEIPZNV-NSHDSACASA-N -2 3 387.469 2.712 20 0 GFADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081134 608095697 /nfs/dbraw/zinc/09/56/97/608095697.db2.gz GPRRMNIFEIPZNV-NSHDSACASA-N -2 3 387.469 2.712 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000826278777 609455617 /nfs/dbraw/zinc/45/56/17/609455617.db2.gz SGUSAGXEGSRRJU-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL O=S(=O)([N-]c1cccc2cccnc21)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493001 609526290 /nfs/dbraw/zinc/52/62/90/609526290.db2.gz OGJYCZXZJRFYKX-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cccc2cccnc21)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493001 609526293 /nfs/dbraw/zinc/52/62/93/609526293.db2.gz OGJYCZXZJRFYKX-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492967 609531091 /nfs/dbraw/zinc/53/10/91/609531091.db2.gz NJWRVDXCMYCVDK-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492967 609531093 /nfs/dbraw/zinc/53/10/93/609531093.db2.gz NJWRVDXCMYCVDK-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])c(Cl)cc1Cl ZINC000818431817 660226098 /nfs/dbraw/zinc/22/60/98/660226098.db2.gz YSSLJCLBKFVIDQ-UHFFFAOYSA-N -2 3 398.264 2.559 20 0 GFADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cc(Br)ccc1F ZINC000826492961 660455555 /nfs/dbraw/zinc/45/55/55/660455555.db2.gz NGZDVVXSFGBHIA-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=C([N-]NC(=O)c1ccc(Cl)cc1[O-])c1sccc1Br ZINC000048826266 654713185 /nfs/dbraw/zinc/71/31/85/654713185.db2.gz FIQNKTUHLLUIBR-UHFFFAOYSA-N -2 3 375.631 2.944 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)cc1Cl ZINC000105386728 655091467 /nfs/dbraw/zinc/09/14/67/655091467.db2.gz IYNUPXVUXFZTSL-UHFFFAOYSA-N -2 3 385.726 2.605 20 0 GFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161823921 655128768 /nfs/dbraw/zinc/12/87/68/655128768.db2.gz PKQQYZIXYGTWFF-SECBINFHSA-N -2 3 382.251 2.613 20 0 GFADHL O=c1nc(CN2CCOC[C@H]2C=C([O-])c2cccs2)[n-]c2ccsc21 ZINC000299478447 655376566 /nfs/dbraw/zinc/37/65/66/655376566.db2.gz ZENVQDODAFEKRC-LLVKDONJSA-N -2 3 375.475 2.932 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(F)F ZINC000578755266 655486351 /nfs/dbraw/zinc/48/63/51/655486351.db2.gz ZGHAGWRNSUDQGK-ZCFIWIBFSA-N -2 3 393.742 2.576 20 0 GFADHL O=C([O-])[C@H](CCSc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000580137126 655508829 /nfs/dbraw/zinc/50/88/29/655508829.db2.gz HQCYSAYEHRKBHV-AWEZNQCLSA-N -2 3 387.429 2.879 20 0 GFADHL CC(C)c1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)on1 ZINC000761297255 656009165 /nfs/dbraw/zinc/00/91/65/656009165.db2.gz QVHUVVSXLYUIOA-UHFFFAOYSA-N -2 3 376.793 2.767 20 0 GFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000776615425 656767738 /nfs/dbraw/zinc/76/77/38/656767738.db2.gz LRPSCRKLMFYMNI-GZMMTYOYSA-N -2 3 382.251 2.756 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846772145 661565772 /nfs/dbraw/zinc/56/57/72/661565772.db2.gz NZCMGRUOMKLOFJ-XHNCKOQMSA-N -2 3 381.281 2.802 20 0 GFADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000899931862 663702862 /nfs/dbraw/zinc/70/28/62/663702862.db2.gz SGPKNXTZDLKWIA-UHFFFAOYSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]2C[C@H]21 ZINC000926601795 664693729 /nfs/dbraw/zinc/69/37/29/664693729.db2.gz VYUFEAMDICILEK-LOKLDPHHSA-N -2 3 383.775 2.746 20 0 GFADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(=O)[O-])c1 ZINC000013317560 210057371 /nfs/dbraw/zinc/05/73/71/210057371.db2.gz IGPZZMCHHDQWRG-UHFFFAOYSA-N -2 3 390.461 2.639 20 0 GFADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000235440821 553068192 /nfs/dbraw/zinc/06/81/92/553068192.db2.gz NZCZAGUMDHQQNJ-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1[O-] ZINC000175687321 552127052 /nfs/dbraw/zinc/12/70/52/552127052.db2.gz LLBZBMWIUGIBOK-UHFFFAOYSA-N -2 3 385.239 2.914 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)sc1Br ZINC000253285828 553150901 /nfs/dbraw/zinc/15/09/01/553150901.db2.gz OBSXDGVHVCMTTH-MGCOHNPYSA-N -2 3 396.328 2.988 20 0 GFADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000297232072 563320185 /nfs/dbraw/zinc/32/01/85/563320185.db2.gz PATGKPQDKPBYKN-MNOVXSKESA-N -2 3 380.388 2.802 20 0 GFADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000424393924 563378146 /nfs/dbraw/zinc/37/81/46/563378146.db2.gz SDERCOCDSOWHLW-UHFFFAOYSA-N -2 3 393.889 2.535 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1C(=O)[O-] ZINC000318503390 563443855 /nfs/dbraw/zinc/44/38/55/563443855.db2.gz FJHFKOYIYIPKKQ-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000285161764 563506390 /nfs/dbraw/zinc/50/63/90/563506390.db2.gz PJENFOOKDZFHHO-MRVPVSSYSA-N -2 3 389.779 2.670 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)sc1Br ZINC000399752673 563534220 /nfs/dbraw/zinc/53/42/20/563534220.db2.gz VBWXNYQOBKUNKV-PSASIEDQSA-N -2 3 384.317 2.843 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1F ZINC000410394178 563588928 /nfs/dbraw/zinc/58/89/28/563588928.db2.gz VJOQWSXTAYDIFP-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1F ZINC000410394178 563588931 /nfs/dbraw/zinc/58/89/31/563588931.db2.gz VJOQWSXTAYDIFP-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)ccc21 ZINC000410415643 563590689 /nfs/dbraw/zinc/59/06/89/563590689.db2.gz DWMOTHYIFOPXSQ-UHFFFAOYSA-N -2 3 389.191 2.817 20 0 GFADHL C[C@@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436563326 563674255 /nfs/dbraw/zinc/67/42/55/563674255.db2.gz CSCZHQRBPDOBHE-MEBBXXQBSA-N -2 3 380.853 2.985 20 0 GFADHL O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)cc(Br)c1[O-] ZINC000436627164 563675401 /nfs/dbraw/zinc/67/54/01/563675401.db2.gz ULJHMFOKEYGWDF-UHFFFAOYSA-N -2 3 399.554 2.875 20 0 GFADHL O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)cc(Br)c1[O-] ZINC000436627164 563675402 /nfs/dbraw/zinc/67/54/02/563675402.db2.gz ULJHMFOKEYGWDF-UHFFFAOYSA-N -2 3 399.554 2.875 20 0 GFADHL O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)cc(Br)c1[O-] ZINC000436627164 563675403 /nfs/dbraw/zinc/67/54/03/563675403.db2.gz ULJHMFOKEYGWDF-UHFFFAOYSA-N -2 3 399.554 2.875 20 0 GFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000436667213 563676283 /nfs/dbraw/zinc/67/62/83/563676283.db2.gz TXHGGEOEUUGUKI-UHFFFAOYSA-N -2 3 386.223 2.742 20 0 GFADHL COc1ccc(N(C)S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2[O-])cc1Cl ZINC000436743711 563678633 /nfs/dbraw/zinc/67/86/33/563678633.db2.gz ZKFNNRCYHYEYKV-UHFFFAOYSA-N -2 3 385.825 2.886 20 0 GFADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)o1 ZINC000291927463 563765053 /nfs/dbraw/zinc/76/50/53/563765053.db2.gz NYXWBOGEFPKASZ-UHFFFAOYSA-N -2 3 376.793 2.515 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000564653727 564243683 /nfs/dbraw/zinc/24/36/83/564243683.db2.gz PUZDCJMXDPIFMG-MRVPVSSYSA-N -2 3 387.845 2.758 20 0 GFADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000450997506 564261366 /nfs/dbraw/zinc/26/13/66/564261366.db2.gz IRNZXISUZXPXJK-UHFFFAOYSA-N -2 3 392.499 2.603 20 0 GFADHL O=C([O-])[C@H](CCSc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000565455003 564281324 /nfs/dbraw/zinc/28/13/24/564281324.db2.gz OHDNRGAGFHDZAQ-HNNXBMFYSA-N -2 3 387.429 2.879 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1cccs1 ZINC000541909605 564294569 /nfs/dbraw/zinc/29/45/69/564294569.db2.gz RDRMTKMOIPDWQX-LLVKDONJSA-N -2 3 394.243 2.754 20 0 GFADHL CCOc1ccc(C[C@@H](C[N-]S(=O)(=O)c2cc(C)cs2)C(=O)[O-])cc1 ZINC000566177522 564314585 /nfs/dbraw/zinc/31/45/85/564314585.db2.gz UUSPGGUFQRFUHU-AWEZNQCLSA-N -2 3 383.491 2.677 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000567231483 564362013 /nfs/dbraw/zinc/36/20/13/564362013.db2.gz AVBDXJQWFPARHF-QMMMGPOBSA-N -2 3 394.396 2.942 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCCC1 ZINC000543769360 564362702 /nfs/dbraw/zinc/36/27/02/564362702.db2.gz WNEGJPLLXZPOPJ-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1C(=O)[O-] ZINC000543785962 564363743 /nfs/dbraw/zinc/36/37/43/564363743.db2.gz AZYYRRJURVUBQS-UHFFFAOYSA-N -2 3 381.303 2.923 20 0 GFADHL Cc1ncc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c(=O)[n-]1 ZINC000544105530 564375351 /nfs/dbraw/zinc/37/53/51/564375351.db2.gz SSYOXSWGRUXKKH-UHFFFAOYSA-N -2 3 381.763 2.641 20 0 GFADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)sc1C(=O)[O-] ZINC000567809846 564390174 /nfs/dbraw/zinc/39/01/74/564390174.db2.gz CKJULRJQPASDEO-SSDOTTSWSA-N -2 3 395.384 2.603 20 0 GFADHL O=C(COCC(=O)Nc1c([O-])cccc1Cl)Nc1c([O-])cccc1Cl ZINC000569513340 564466999 /nfs/dbraw/zinc/46/69/99/564466999.db2.gz MJJNWTWDKNTAKC-UHFFFAOYSA-N -2 3 385.203 2.998 20 0 GFADHL Cc1csc(S(=O)(=O)[N-][C@@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000515133256 564470794 /nfs/dbraw/zinc/47/07/94/564470794.db2.gz VMNNJQDEYUTFIB-LBPRGKRZSA-N -2 3 391.417 2.632 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C1CC1 ZINC000515379650 564477594 /nfs/dbraw/zinc/47/75/94/564477594.db2.gz JZJKMILBSIYVHO-NSHDSACASA-N -2 3 388.492 2.649 20 0 GFADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)sc1C(=O)[O-] ZINC000516058987 564492493 /nfs/dbraw/zinc/49/24/93/564492493.db2.gz UGOAYPXJEWCFDY-SECBINFHSA-N -2 3 387.483 2.616 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000547552679 564493410 /nfs/dbraw/zinc/49/34/10/564493410.db2.gz JGMNYBZJJMZWBL-SNVBAGLBSA-N -2 3 391.873 2.542 20 0 GFADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C(=O)[O-])c1 ZINC000547557786 564494398 /nfs/dbraw/zinc/49/43/98/564494398.db2.gz RQPQNYRLWBJDEW-UHFFFAOYSA-N -2 3 379.825 2.777 20 0 GFADHL Cc1sc(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000547579857 564497461 /nfs/dbraw/zinc/49/74/61/564497461.db2.gz XKFFOSMDWUYWMC-QWRGUYRKSA-N -2 3 376.456 2.667 20 0 GFADHL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)OCO2 ZINC000547870881 564514006 /nfs/dbraw/zinc/51/40/06/564514006.db2.gz WOZBUPBPCXKXEX-UHFFFAOYSA-N -2 3 387.772 2.848 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccccc1 ZINC000547869765 564514503 /nfs/dbraw/zinc/51/45/03/564514503.db2.gz SLFYMSVLDLPXAE-CYBMUJFWSA-N -2 3 388.214 2.692 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccccn1 ZINC000547881587 564516115 /nfs/dbraw/zinc/51/61/15/564516115.db2.gz MADKTNJIBSAUBK-SNVBAGLBSA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1ccc(F)cc1 ZINC000547898233 564517500 /nfs/dbraw/zinc/51/75/00/564517500.db2.gz HWTVNQJKRKGKSJ-JTQLQIEISA-N -2 3 394.243 2.754 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000547937228 564523456 /nfs/dbraw/zinc/52/34/56/564523456.db2.gz YPVQXGLWMWVOGB-NSHDSACASA-N -2 3 381.878 2.910 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)c(F)cc1F ZINC000517272273 564530179 /nfs/dbraw/zinc/53/01/79/564530179.db2.gz SJXWTASFAVCPQV-UHFFFAOYSA-N -2 3 377.315 2.728 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000548260362 564544506 /nfs/dbraw/zinc/54/45/06/564544506.db2.gz VMHMRWDSQTVXSC-MNOVXSKESA-N -2 3 391.873 2.684 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)sc1Br ZINC000548267293 564546579 /nfs/dbraw/zinc/54/65/79/564546579.db2.gz AWHCHTVINNTYGE-VIFPVBQESA-N -2 3 396.309 2.985 20 0 GFADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000548769998 564575012 /nfs/dbraw/zinc/57/50/12/564575012.db2.gz LWDOSSFGGDSTMV-UHFFFAOYSA-N -2 3 387.255 2.529 20 0 GFADHL C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2cc(F)ccc2Br)(C(=O)[O-])C1 ZINC000548837317 564577395 /nfs/dbraw/zinc/57/73/95/564577395.db2.gz WGUGTQOKQXBAEV-XPTSAGLGSA-N -2 3 394.262 2.900 20 0 GFADHL COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000572769915 564609216 /nfs/dbraw/zinc/60/92/16/564609216.db2.gz ABIUFMCVVDBOKZ-CQSZACIVSA-N -2 3 387.841 2.914 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)cc1Cl ZINC000485389202 564613982 /nfs/dbraw/zinc/61/39/82/564613982.db2.gz NXUJODYXNJYFCO-UHFFFAOYSA-N -2 3 384.248 2.898 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)cc1Cl ZINC000485389202 564613987 /nfs/dbraw/zinc/61/39/87/564613987.db2.gz NXUJODYXNJYFCO-UHFFFAOYSA-N -2 3 384.248 2.898 20 0 GFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1OC)C(=O)[O-] ZINC000574532807 564677997 /nfs/dbraw/zinc/67/79/97/564677997.db2.gz SJGWGRCNMIFVDX-SNVBAGLBSA-N -2 3 398.250 2.519 20 0 GFADHL CC(C)c1nc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)CCCC2)no1 ZINC000576276595 564710990 /nfs/dbraw/zinc/71/09/90/564710990.db2.gz UBMDLNDAIYCCJM-UHFFFAOYSA-N -2 3 385.467 2.701 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000527052005 564727854 /nfs/dbraw/zinc/72/78/54/564727854.db2.gz WNZJONHZKJMXSQ-NWDGAFQWSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000554532663 564765051 /nfs/dbraw/zinc/76/50/51/564765051.db2.gz UGPQBYOIVMQAKI-LLVKDONJSA-N -2 3 394.758 2.858 20 0 GFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000581773237 564818078 /nfs/dbraw/zinc/81/80/78/564818078.db2.gz GHQHHBJOWIKRPI-VIFPVBQESA-N -2 3 382.251 2.818 20 0 GFADHL CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2OC)C1 ZINC000581820326 564818916 /nfs/dbraw/zinc/81/89/16/564818916.db2.gz ACSRTWCTCIXBEV-NEPJUHHUSA-N -2 3 391.486 2.875 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])s1 ZINC000530420983 564880528 /nfs/dbraw/zinc/88/05/28/564880528.db2.gz SPXYCMAXKGRIEK-JTQLQIEISA-N -2 3 382.301 2.741 20 0 GFADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000530472928 564883986 /nfs/dbraw/zinc/88/39/86/564883986.db2.gz ITDPDTJBRXXEBY-LLVKDONJSA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1Cl ZINC000530530289 564886271 /nfs/dbraw/zinc/88/62/71/564886271.db2.gz FHUFCXGTEHZTAN-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ncc(C(=O)[O-])s1 ZINC000583381906 564889434 /nfs/dbraw/zinc/88/94/34/564889434.db2.gz RSDSSVLBYLJBLY-RXMQYKEDSA-N -2 3 386.398 2.961 20 0 GFADHL CC(C)(C)OCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000583992677 564915686 /nfs/dbraw/zinc/91/56/86/564915686.db2.gz YHTYIFSFSGZNMK-MRVPVSSYSA-N -2 3 389.417 2.704 20 0 GFADHL O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000537365593 565057670 /nfs/dbraw/zinc/05/76/70/565057670.db2.gz AFJCRWWGLNOOFE-AWEZNQCLSA-N -2 3 379.203 2.690 20 0 GFADHL C[C@@H](CSCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000592447915 565276616 /nfs/dbraw/zinc/27/66/16/565276616.db2.gz HVLYLNYKXHFJGZ-QMMMGPOBSA-N -2 3 389.392 2.577 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Br)sc2C)c[n-]1 ZINC000618906522 565321832 /nfs/dbraw/zinc/32/18/32/565321832.db2.gz MEWYJHBCRFZIBG-UHFFFAOYSA-N -2 3 394.272 2.520 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(Br)sc2C)[n-]1 ZINC000618906522 565321835 /nfs/dbraw/zinc/32/18/35/565321835.db2.gz MEWYJHBCRFZIBG-UHFFFAOYSA-N -2 3 394.272 2.520 20 0 GFADHL Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C1CCC1 ZINC000663254590 565404314 /nfs/dbraw/zinc/40/43/14/565404314.db2.gz AWTJGMDLDFUGRK-VIFPVBQESA-N -2 3 382.301 2.598 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCC1 ZINC000663253623 565403938 /nfs/dbraw/zinc/40/39/38/565403938.db2.gz AKPKEFIZFGUCSG-SNVBAGLBSA-N -2 3 396.690 2.882 20 0 GFADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F ZINC000663294140 565408468 /nfs/dbraw/zinc/40/84/68/565408468.db2.gz OQOJMELIRIZQKW-QMMMGPOBSA-N -2 3 389.779 2.670 20 0 GFADHL O=C([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000663421997 565419194 /nfs/dbraw/zinc/41/91/94/565419194.db2.gz FTTGAYOHFKNVDO-UHFFFAOYSA-N -2 3 390.177 2.768 20 0 GFADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-])C1CC1 ZINC000644629207 565485384 /nfs/dbraw/zinc/48/53/84/565485384.db2.gz BPTRZCIGXHWFRM-JMCQJSRRSA-N -2 3 385.335 2.502 20 0 GFADHL O=S(=O)([N-]CCNCc1cccc([O-])c1Cl)c1ccc(F)cc1Cl ZINC000645178461 565515703 /nfs/dbraw/zinc/51/57/03/565515703.db2.gz JRPQLIABSVLMQF-UHFFFAOYSA-N -2 3 393.267 2.906 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000645947402 565578273 /nfs/dbraw/zinc/57/82/73/565578273.db2.gz DQAZXTJWKRXNEY-JGVFFNPUSA-N -2 3 387.401 2.854 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000650422531 565819826 /nfs/dbraw/zinc/81/98/26/565819826.db2.gz QBYPJWSCEOJOQC-APPZFPTMSA-N -2 3 387.763 2.770 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)CC1CC1 ZINC000650429950 565819843 /nfs/dbraw/zinc/81/98/43/565819843.db2.gz AMQJJPFSBOVZCW-VIFPVBQESA-N -2 3 385.335 2.504 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H](CC3CC3)C(=O)[O-])s2)cs1 ZINC000650431582 565821641 /nfs/dbraw/zinc/82/16/41/565821641.db2.gz WOMYZBGMAXRLPE-NSHDSACASA-N -2 3 386.520 2.959 20 0 GFADHL CCO[C@H](CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1)C1CC1 ZINC000629292736 565835963 /nfs/dbraw/zinc/83/59/63/565835963.db2.gz WJAODBFLSAFFEZ-CYBMUJFWSA-N -2 3 392.271 2.704 20 0 GFADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000629298140 565838467 /nfs/dbraw/zinc/83/84/67/565838467.db2.gz ZJIDAFWFFFGODD-VIFPVBQESA-N -2 3 385.360 2.516 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000629297356 565838492 /nfs/dbraw/zinc/83/84/92/565838492.db2.gz QGNGBHZMLVMSOK-QMMMGPOBSA-N -2 3 382.251 2.676 20 0 GFADHL CC1(C)CCC[C@@]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)(C(=O)[O-])C1 ZINC000629335459 565846190 /nfs/dbraw/zinc/84/61/90/565846190.db2.gz ULFAZSDHDNSHJG-AWEZNQCLSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000630435795 565901356 /nfs/dbraw/zinc/90/13/56/565901356.db2.gz NLYLUJIVLAXMTH-CZMCAQCFSA-N -2 3 383.800 2.863 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)C(C)(C)C)c(F)c1 ZINC000651911539 565904214 /nfs/dbraw/zinc/90/42/14/565904214.db2.gz FGEIJLRVFUBPIU-LLVKDONJSA-N -2 3 380.507 2.690 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000681573538 566113065 /nfs/dbraw/zinc/11/30/65/566113065.db2.gz YFKJJWRDMTZOHE-LBPRGKRZSA-N -2 3 388.898 2.950 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCCC(=O)[O-] ZINC000656509460 566129787 /nfs/dbraw/zinc/12/97/87/566129787.db2.gz UKIIGCGQBXJEIQ-UHFFFAOYSA-N -2 3 394.287 2.771 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-] ZINC000656516927 566132644 /nfs/dbraw/zinc/13/26/44/566132644.db2.gz IVQLHGOEKZIDDJ-ZJUUUORDSA-N -2 3 394.287 2.625 20 0 GFADHL CC[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000656719398 566158049 /nfs/dbraw/zinc/15/80/49/566158049.db2.gz WZGLGNKTTUNPMI-GFCCVEGCSA-N -2 3 387.454 2.894 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736448250 599221231 /nfs/dbraw/zinc/22/12/31/599221231.db2.gz VYCYMUYIIHFZQX-AWEZNQCLSA-N -2 3 393.513 2.977 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736448250 599221233 /nfs/dbraw/zinc/22/12/33/599221233.db2.gz VYCYMUYIIHFZQX-AWEZNQCLSA-N -2 3 393.513 2.977 20 0 GFADHL O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1ccccc1-c1nnn[n-]1 ZINC000823589393 599307895 /nfs/dbraw/zinc/30/78/95/599307895.db2.gz XSEMRQSQOXTQOB-UHFFFAOYSA-N -2 3 394.416 2.855 20 0 GFADHL O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1ccccc1-c1nn[n-]n1 ZINC000823589393 599307898 /nfs/dbraw/zinc/30/78/98/599307898.db2.gz XSEMRQSQOXTQOB-UHFFFAOYSA-N -2 3 394.416 2.855 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000823583164 599308573 /nfs/dbraw/zinc/30/85/73/599308573.db2.gz JVBKPBNWKOCAJP-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000736489373 599313654 /nfs/dbraw/zinc/31/36/54/599313654.db2.gz YUVIBXPSPLXRII-UHFFFAOYSA-N -2 3 394.407 2.768 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1n[nH]c2c1cccc2Cl ZINC000822152053 607380779 /nfs/dbraw/zinc/38/07/79/607380779.db2.gz FCXCJEBHUBQPMB-UHFFFAOYSA-N -2 3 389.828 2.506 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1n[nH]c2c1cccc2Cl ZINC000822152053 607380781 /nfs/dbraw/zinc/38/07/81/607380781.db2.gz FCXCJEBHUBQPMB-UHFFFAOYSA-N -2 3 389.828 2.506 20 0 GFADHL O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000823214813 599469453 /nfs/dbraw/zinc/46/94/53/599469453.db2.gz BZCNCYJZHYICOE-UHFFFAOYSA-N -2 3 394.218 2.688 20 0 GFADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000727795595 599765440 /nfs/dbraw/zinc/76/54/40/599765440.db2.gz OXYYTQZOBIVUMQ-UHFFFAOYSA-N -2 3 381.381 2.892 20 0 GFADHL Cc1ccc(Cl)cc1N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000738604845 599778227 /nfs/dbraw/zinc/77/82/27/599778227.db2.gz OOQQUQDPTHNFGS-LBPRGKRZSA-N -2 3 398.868 2.744 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)C(=O)[O-])c2)cc1 ZINC000262535859 599779494 /nfs/dbraw/zinc/77/94/94/599779494.db2.gz QFUSIGFCXUSYLB-AWEZNQCLSA-N -2 3 390.461 2.555 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000738277933 599907920 /nfs/dbraw/zinc/90/79/20/599907920.db2.gz OJMRVIUXJVUIEC-UHFFFAOYSA-N -2 3 392.408 2.760 20 0 GFADHL O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000739719997 600270755 /nfs/dbraw/zinc/27/07/55/600270755.db2.gz FRSQMSFQFODFBB-UHFFFAOYSA-N -2 3 386.354 2.923 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000268665897 600396192 /nfs/dbraw/zinc/39/61/92/600396192.db2.gz YJYHJCJKEFSETO-CYBMUJFWSA-N -2 3 390.461 2.719 20 0 GFADHL CC(C)(C)[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736241150 600502272 /nfs/dbraw/zinc/50/22/72/600502272.db2.gz HDFMRELVHPEGNZ-AWEZNQCLSA-N -2 3 385.413 2.889 20 0 GFADHL COc1ccc(-c2cc3[n-]c(CN(C)C[C@H](C)C(=O)[O-])nc(=O)c3s2)cc1 ZINC000737909430 600506884 /nfs/dbraw/zinc/50/68/84/600506884.db2.gz IFSLWCVAZNEVPP-NSHDSACASA-N -2 3 387.461 2.813 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC000175017497 600628186 /nfs/dbraw/zinc/62/81/86/600628186.db2.gz XSHPLDFVQLJNLH-UHFFFAOYSA-N -2 3 391.836 2.954 20 0 GFADHL C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736781189 600633595 /nfs/dbraw/zinc/63/35/95/600633595.db2.gz NTDHYAQJHHPMNC-RDDDGLTNSA-N -2 3 380.235 2.753 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000515299597 600650999 /nfs/dbraw/zinc/65/09/99/600650999.db2.gz QUWNHIYJXNWHEM-MRXNPFEDSA-N -2 3 388.445 2.666 20 0 GFADHL Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000757654015 600691118 /nfs/dbraw/zinc/69/11/18/600691118.db2.gz FETYENGNACXGME-UHFFFAOYSA-N -2 3 390.417 2.759 20 0 GFADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000826114807 600775175 /nfs/dbraw/zinc/77/51/75/600775175.db2.gz VBSIFIZHWOVQEW-QGZVFWFLSA-N -2 3 396.443 2.998 20 0 GFADHL COc1ccc(OCCS(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000738049664 601049995 /nfs/dbraw/zinc/04/99/95/601049995.db2.gz TWGRCDBWLFVGJV-UHFFFAOYSA-N -2 3 385.825 2.868 20 0 GFADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000826636857 601224586 /nfs/dbraw/zinc/22/45/86/601224586.db2.gz QLWGHHWQVRBOQE-XGICHPGQSA-N -2 3 391.445 2.735 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)c1F ZINC000833294704 601237561 /nfs/dbraw/zinc/23/75/61/601237561.db2.gz GBRZNVXIMQJHDO-RDDDGLTNSA-N -2 3 389.326 2.776 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)c1F ZINC000833293615 601238779 /nfs/dbraw/zinc/23/87/79/601238779.db2.gz AFMAQDJTVUEXKD-UHFFFAOYSA-N -2 3 394.355 2.797 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)sc1Br ZINC000123551501 601255061 /nfs/dbraw/zinc/25/50/61/601255061.db2.gz PLKXLEPURZFNGQ-UHFFFAOYSA-N -2 3 390.280 2.996 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)ccc1F ZINC000363575732 601330121 /nfs/dbraw/zinc/33/01/21/601330121.db2.gz UTGXAIILXRMKLH-UHFFFAOYSA-N -2 3 378.381 2.600 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000438721857 601333413 /nfs/dbraw/zinc/33/34/13/601333413.db2.gz GNHZOFOTPJOJED-UHFFFAOYSA-N -3 3 399.808 2.611 20 0 GFADHL COc1cccc(OC)c1OCc1nc(=O)c2c(C)c(C(=O)[O-])sc2[n-]1 ZINC000832568038 601381463 /nfs/dbraw/zinc/38/14/63/601381463.db2.gz SVBRJSRKFQSAJO-UHFFFAOYSA-N -2 3 376.390 2.587 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000827759915 601384896 /nfs/dbraw/zinc/38/48/96/601384896.db2.gz CRJHJAGNUMSDEG-GFCCVEGCSA-N -2 3 393.465 2.784 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Cl)cc1 ZINC000833169568 601388220 /nfs/dbraw/zinc/38/82/20/601388220.db2.gz VTVBXUSSEXZYFV-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1F ZINC000776450422 601811584 /nfs/dbraw/zinc/81/15/84/601811584.db2.gz KDCUYMYJTBEWEM-NSHDSACASA-N -2 3 379.196 2.632 20 0 GFADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000266187896 601987464 /nfs/dbraw/zinc/98/74/64/601987464.db2.gz MQFVCBHSEALTNV-UHFFFAOYSA-N -2 3 379.434 2.530 20 0 GFADHL CCC1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000055329766 602146570 /nfs/dbraw/zinc/14/65/70/602146570.db2.gz ZQGYBLFPYYABGM-UHFFFAOYSA-N -2 3 380.260 2.987 20 0 GFADHL CCC1(CC)[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C[C@@H]1OC ZINC000829055360 602221575 /nfs/dbraw/zinc/22/15/75/602221575.db2.gz HHZBQWFRZZVOMG-RYUDHWBXSA-N -2 3 377.409 2.535 20 0 GFADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc1OC ZINC000739856612 602245719 /nfs/dbraw/zinc/24/57/19/602245719.db2.gz NFWUKKZRLYZNSJ-UHFFFAOYSA-N -2 3 392.433 2.854 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)N(C(=O)[O-])[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000740207761 602883940 /nfs/dbraw/zinc/88/39/40/602883940.db2.gz JNTKBDDVKAPUPE-TXEJJXNPSA-N -2 3 385.424 2.762 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1F ZINC000833294880 604503664 /nfs/dbraw/zinc/50/36/64/604503664.db2.gz JRKDZMPBKHROAA-FABXCBLPSA-N -2 3 379.384 2.670 20 0 GFADHL C[C@]1([N-]S(=O)(=O)c2ccc(Br)s2)CCCC[C@@H]1C(=O)[O-] ZINC000833569555 604808376 /nfs/dbraw/zinc/80/83/76/604808376.db2.gz MUFNRNGRRCMBJX-PELKAZGASA-N -2 3 382.301 2.822 20 0 GFADHL CC(C)(C)[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833422465 605201774 /nfs/dbraw/zinc/20/17/74/605201774.db2.gz DQHLFXVQUIWUHX-CQSZACIVSA-N -2 3 385.413 2.889 20 0 GFADHL O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1c([O-])cc(Cl)cc1Cl ZINC000823215700 606197086 /nfs/dbraw/zinc/19/70/86/606197086.db2.gz QDYFGIBBTZKKLP-UHFFFAOYSA-N -2 3 394.218 2.688 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000822223634 606207568 /nfs/dbraw/zinc/20/75/68/606207568.db2.gz DZTVORNSPDQGIO-UHFFFAOYSA-N -2 3 387.465 2.979 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1c(C)cccc1OC(F)F ZINC000822223782 606331336 /nfs/dbraw/zinc/33/13/36/606331336.db2.gz KDFVWCUNFRRPMR-UHFFFAOYSA-N -2 3 395.391 2.886 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000821309491 606598749 /nfs/dbraw/zinc/59/87/49/606598749.db2.gz OKAARBZLVKGQSN-UHFFFAOYSA-N -2 3 384.874 2.814 20 0 GFADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821394934 607034583 /nfs/dbraw/zinc/03/45/83/607034583.db2.gz QKHKNRXVDUUOKE-UHFFFAOYSA-N -2 3 397.819 2.859 20 0 GFADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821394934 607034584 /nfs/dbraw/zinc/03/45/84/607034584.db2.gz QKHKNRXVDUUOKE-UHFFFAOYSA-N -2 3 397.819 2.859 20 0 GFADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000821766512 607155443 /nfs/dbraw/zinc/15/54/43/607155443.db2.gz YBGZNLWKAPTGBC-UHFFFAOYSA-N -2 3 397.819 2.777 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCCC1(C)C ZINC000826279464 607778537 /nfs/dbraw/zinc/77/85/37/607778537.db2.gz QSZSGFSIFDFFKK-CQSZACIVSA-N -2 3 391.497 2.587 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCCC1(C)C ZINC000826279464 607778538 /nfs/dbraw/zinc/77/85/38/607778538.db2.gz QSZSGFSIFDFFKK-CQSZACIVSA-N -2 3 391.497 2.587 20 0 GFADHL O=C(c1cccc(Cl)c1[O-])N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473717 608589502 /nfs/dbraw/zinc/58/95/02/608589502.db2.gz KIWCOXBIMHZORT-UHFFFAOYSA-N -2 3 399.838 2.909 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c(C)c1Cl ZINC000819089225 660246089 /nfs/dbraw/zinc/24/60/89/660246089.db2.gz IFNPEUPBTJBKNC-RKDXNWHRSA-N -2 3 397.902 2.520 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000036833111 654613778 /nfs/dbraw/zinc/61/37/78/654613778.db2.gz LQGDWCBBWUOYFO-UHFFFAOYSA-N -2 3 394.396 2.878 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])c(Cl)cc1Cl ZINC000275022844 655212024 /nfs/dbraw/zinc/21/20/24/655212024.db2.gz OWWNQRZNSJNUAV-QMMMGPOBSA-N -2 3 398.264 2.559 20 0 GFADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000115437892 655237240 /nfs/dbraw/zinc/23/72/40/655237240.db2.gz FGAQILXOFFISPI-SNVBAGLBSA-N -2 3 378.834 2.806 20 0 GFADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)(C(=O)[O-])C1(C)C ZINC000275615822 655243979 /nfs/dbraw/zinc/24/39/79/655243979.db2.gz KNYXZLKVRYGPIC-NHYWBVRUSA-N -2 3 396.292 2.930 20 0 GFADHL CC1(C)C(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1(C)C ZINC000118723666 655281399 /nfs/dbraw/zinc/28/13/99/655281399.db2.gz YARRPRIZDXGAGG-UHFFFAOYSA-N -2 3 380.260 2.701 20 0 GFADHL C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCO1 ZINC000761320541 656011509 /nfs/dbraw/zinc/01/15/09/656011509.db2.gz HZGIMFRJQKQDRO-DTWKUNHWSA-N -2 3 382.265 2.785 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CC1CCCC1 ZINC000776555631 656757281 /nfs/dbraw/zinc/75/72/81/656757281.db2.gz QYRBSLHCTBHORN-JTQLQIEISA-N -2 3 381.281 2.948 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000776628914 656771628 /nfs/dbraw/zinc/77/16/28/656771628.db2.gz WHIDBIBPHXBSJE-AWEZNQCLSA-N -2 3 398.264 2.559 20 0 GFADHL CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)O1 ZINC000777952024 656845385 /nfs/dbraw/zinc/84/53/85/656845385.db2.gz RYEYAXLIMLQMOS-SECBINFHSA-N -2 3 382.265 2.928 20 0 GFADHL O=C([O-])[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C1CCCCC1 ZINC000780687726 657023351 /nfs/dbraw/zinc/02/33/51/657023351.db2.gz JCPALQKYPCDXLS-AWEZNQCLSA-N -2 3 385.258 2.987 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c(C)c1Cl ZINC000788439463 657717050 /nfs/dbraw/zinc/71/70/50/657717050.db2.gz AKTXXKVWZJDCJY-ZETCQYMHSA-N -2 3 397.902 2.664 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]Cc2cccnc2F)c1 ZINC000794917282 658636068 /nfs/dbraw/zinc/63/60/68/658636068.db2.gz HUILGLVGMYRODY-UHFFFAOYSA-N -2 3 379.196 2.704 20 0 GFADHL Cn1cc(S(=O)(=O)[N-]c2cccc([O-])c2Br)c(C(C)(C)C)n1 ZINC000882733473 663038832 /nfs/dbraw/zinc/03/88/32/663038832.db2.gz GNHMCECOHPCBGU-UHFFFAOYSA-N -2 3 388.287 2.987 20 0 GFADHL CCn1cc(Cl)c([N-]S(=O)(=O)c2c([O-])cccc2OC(F)(F)F)n1 ZINC000901946962 663751828 /nfs/dbraw/zinc/75/18/28/663751828.db2.gz IFUJGISVOLULOF-UHFFFAOYSA-N -2 3 385.751 2.961 20 0 GFADHL O=C([O-])c1cnc([C@@H]2CCN(C(=O)c3cc([O-])cc(Br)c3)C2)s1 ZINC000911045917 664234468 /nfs/dbraw/zinc/23/44/68/664234468.db2.gz NHVKSWCGKFXEBC-MRVPVSSYSA-N -2 3 397.250 2.939 20 0 GFADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000917723923 664489105 /nfs/dbraw/zinc/48/91/05/664489105.db2.gz SOXACXIIZHEETF-LLVKDONJSA-N -2 3 392.264 2.530 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000047949005 551154565 /nfs/dbraw/zinc/15/45/65/551154565.db2.gz WBKBGGWQBMCXAI-UHFFFAOYSA-N -2 3 386.223 2.957 20 0 GFADHL O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1ccc([O-])c(Cl)c1 ZINC000056965223 551178866 /nfs/dbraw/zinc/17/88/66/551178866.db2.gz FOWXCPVUPXFAEI-UHFFFAOYSA-N -2 3 382.825 2.543 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000164881221 551627560 /nfs/dbraw/zinc/62/75/60/551627560.db2.gz MQGDJQGKWWANNY-AAEUAGOBSA-N -2 3 380.235 2.510 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000172897221 551689692 /nfs/dbraw/zinc/68/96/92/551689692.db2.gz SBMDJSVVNUUVEG-UHFFFAOYSA-N -2 3 394.396 2.585 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000172897055 551689867 /nfs/dbraw/zinc/68/98/67/551689867.db2.gz RLENRBVOEJTNCL-UHFFFAOYSA-N -2 3 380.491 2.656 20 0 GFADHL CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccsc1 ZINC000236859399 553072044 /nfs/dbraw/zinc/07/20/44/553072044.db2.gz BDPOOEHCSBSQPS-ZDUSSCGKSA-N -2 3 388.536 2.869 20 0 GFADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000262240350 553168177 /nfs/dbraw/zinc/16/81/77/553168177.db2.gz OPFOLTRJFGXLJU-UHFFFAOYSA-N -2 3 380.235 2.510 20 0 GFADHL CCN=c1[n-]c(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)cs1 ZINC000426216379 563446970 /nfs/dbraw/zinc/44/69/70/563446970.db2.gz MORSRKIUDAGPCZ-UHFFFAOYSA-N -2 3 398.311 2.885 20 0 GFADHL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000323914060 563451652 /nfs/dbraw/zinc/45/16/52/563451652.db2.gz GQDMGICJDBSRBO-GFCCVEGCSA-N -2 3 384.866 2.857 20 0 GFADHL Cc1ccoc1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000427246645 563463635 /nfs/dbraw/zinc/46/36/35/563463635.db2.gz RQCAYWQZEFVZPJ-UHFFFAOYSA-N -2 3 379.312 2.663 20 0 GFADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1cc(C(F)(F)F)on1 ZINC000427268775 563464231 /nfs/dbraw/zinc/46/42/31/563464231.db2.gz ZHPNOHKCKWUMFW-UHFFFAOYSA-N -2 3 384.357 2.667 20 0 GFADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1ccccc1OC(F)F)C(F)(F)F ZINC000284910559 563494648 /nfs/dbraw/zinc/49/46/48/563494648.db2.gz BFMAKRFLTVYWJA-QMMMGPOBSA-N -2 3 391.314 2.610 20 0 GFADHL Cc1cccc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n1 ZINC000285315620 563514651 /nfs/dbraw/zinc/51/46/51/563514651.db2.gz FGWRGUDXCPEABN-UHFFFAOYSA-N -2 3 386.832 2.792 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000390731014 563523441 /nfs/dbraw/zinc/52/34/41/563523441.db2.gz PJUXGDAUZCUWKL-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000390731014 563523443 /nfs/dbraw/zinc/52/34/43/563523443.db2.gz PJUXGDAUZCUWKL-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc(C(=O)[O-])c1OC ZINC000392971773 563527778 /nfs/dbraw/zinc/52/77/78/563527778.db2.gz CXOJMXCCBSMTEK-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000401554945 563535305 /nfs/dbraw/zinc/53/53/05/563535305.db2.gz KHHIBZVEPKEYJW-SNVBAGLBSA-N -2 3 382.251 2.756 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1Cl ZINC000436161495 563665469 /nfs/dbraw/zinc/66/54/69/563665469.db2.gz BVQHYOFOTNUHOL-UHFFFAOYSA-N -2 3 383.809 2.617 20 0 GFADHL COC(C)(C)CS(=O)(=O)[N-]c1ccc(Cc2nc(C(=O)[O-])cs2)cc1 ZINC000414379439 563731544 /nfs/dbraw/zinc/73/15/44/563731544.db2.gz GDBADMQSHYGXEF-UHFFFAOYSA-N -2 3 384.479 2.599 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@]2(C)CC=CCC2)c(F)c1 ZINC000416560810 563848568 /nfs/dbraw/zinc/84/85/68/563848568.db2.gz RLHIBIBMJYDJJN-MRXNPFEDSA-N -2 3 390.502 2.755 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000564919621 564256945 /nfs/dbraw/zinc/25/69/45/564256945.db2.gz VLYKNKUKCHZAFS-HIFRSBDPSA-N -2 3 385.825 2.748 20 0 GFADHL COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000564920718 564257083 /nfs/dbraw/zinc/25/70/83/564257083.db2.gz YENRYWJBIPBIQJ-LLVKDONJSA-N -2 3 385.463 2.693 20 0 GFADHL COc1nn(C)cc1[N-]C(=O)N=c1nc(Sc2ccc(C)cc2)[n-]s1 ZINC000566826525 564345018 /nfs/dbraw/zinc/34/50/18/564345018.db2.gz KNUVMRNNFXUDSB-UHFFFAOYSA-N -2 3 376.467 2.806 20 0 GFADHL COc1ccc(OCCS(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000543659712 564358314 /nfs/dbraw/zinc/35/83/14/564358314.db2.gz XFUHYUNPJSZKSP-UHFFFAOYSA-N -2 3 385.825 2.868 20 0 GFADHL COC(C)(C)CS(=O)(=O)[N-]c1c(C)c(Br)ccc1C(=O)[O-] ZINC000567471006 564372973 /nfs/dbraw/zinc/37/29/73/564372973.db2.gz XHJSFBOYTYLCHO-UHFFFAOYSA-N -2 3 380.260 2.622 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H]1CCC[C@H](C)C1 ZINC000452087262 564389364 /nfs/dbraw/zinc/38/93/64/564389364.db2.gz NWKDVDIZFWFFAF-AVGNSLFASA-N -2 3 392.518 2.690 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000547611995 564502459 /nfs/dbraw/zinc/50/24/59/564502459.db2.gz NQZWIKCJRAZTAA-CYBMUJFWSA-N -2 3 382.265 2.542 20 0 GFADHL Cc1cc(C)cc([C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C(=O)[O-])c1 ZINC000547609987 564502637 /nfs/dbraw/zinc/50/26/37/564502637.db2.gz ULPAMWVFFWZITB-ZDUSSCGKSA-N -2 3 388.239 2.763 20 0 GFADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)(C(=O)[O-])C1(C)C ZINC000548028553 564528347 /nfs/dbraw/zinc/52/83/47/564528347.db2.gz ASQOGVCWFOPOHE-IUODEOHRSA-N -2 3 396.292 2.930 20 0 GFADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548209562 564536823 /nfs/dbraw/zinc/53/68/23/564536823.db2.gz LMXBFHHVUNKTND-BXKDBHETSA-N -2 3 389.882 2.713 20 0 GFADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000548212807 564537499 /nfs/dbraw/zinc/53/74/99/564537499.db2.gz SDIXQJCBCFXGHX-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)cc1Cl ZINC000548226611 564538929 /nfs/dbraw/zinc/53/89/29/564538929.db2.gz USRNPICFBYDRSK-UHFFFAOYSA-N -2 3 382.265 2.925 20 0 GFADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000548260515 564544775 /nfs/dbraw/zinc/54/47/75/564544775.db2.gz FUNZCGKHMQVDOZ-JQWIXIFHSA-N -2 3 384.866 2.771 20 0 GFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)o1 ZINC000548264699 564545763 /nfs/dbraw/zinc/54/57/63/564545763.db2.gz UPMPWWAMRFUKEF-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)c(Cl)c1 ZINC000548529592 564555236 /nfs/dbraw/zinc/55/52/36/564555236.db2.gz SUNRBXHTBXBLQB-LLVKDONJSA-N -2 3 391.873 2.542 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1ccc(Cl)cc1 ZINC000548536567 564557240 /nfs/dbraw/zinc/55/72/40/564557240.db2.gz XQPWDWRDGBLHRZ-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548550751 564558948 /nfs/dbraw/zinc/55/89/48/564558948.db2.gz CWUQNQXPFJQSHZ-OCCSQVGLSA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548591791 564564663 /nfs/dbraw/zinc/56/46/63/564564663.db2.gz ONARZUDZZGRUDL-NWDGAFQWSA-N -2 3 380.388 2.802 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000548595893 564565440 /nfs/dbraw/zinc/56/54/40/564565440.db2.gz BGRQLLJYKLENEA-LLVKDONJSA-N -2 3 379.221 2.702 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1c(F)cccc1F ZINC000548595419 564565644 /nfs/dbraw/zinc/56/56/44/564565644.db2.gz PVQLHLQRILKMKC-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-])C1CC1 ZINC000548867498 564578498 /nfs/dbraw/zinc/57/84/98/564578498.db2.gz LQTAKDFJLKRBIW-KRTXAFLBSA-N -2 3 396.690 2.880 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)c(Cl)c1Cl ZINC000548866355 564578685 /nfs/dbraw/zinc/57/86/85/564578685.db2.gz ALABSILYDBPGOF-WPPNPWJKSA-N -2 3 382.265 2.780 20 0 GFADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000573034863 564619694 /nfs/dbraw/zinc/61/96/94/564619694.db2.gz ZHCZQBIOYGOTGM-YGRLFVJLSA-N -2 3 380.388 2.660 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000526060682 564718408 /nfs/dbraw/zinc/71/84/08/564718408.db2.gz MRMFVPUKNZIYDN-NWDGAFQWSA-N -2 3 393.889 2.533 20 0 GFADHL CCC[C@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C(=O)[O-] ZINC000489376360 564738106 /nfs/dbraw/zinc/73/81/06/564738106.db2.gz CXWSXFASPLTFAW-NSHDSACASA-N -2 3 387.255 2.529 20 0 GFADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1(CC)CC ZINC000581427236 564802801 /nfs/dbraw/zinc/80/28/01/564802801.db2.gz JTDWOWPIGHOHEZ-CHWSQXEVSA-N -2 3 391.511 2.717 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)CCCCC1 ZINC000581927790 564823445 /nfs/dbraw/zinc/82/34/45/564823445.db2.gz OBEGTDJAEFXFII-UHFFFAOYSA-N -2 3 389.857 2.903 20 0 GFADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000582521643 564850242 /nfs/dbraw/zinc/85/02/42/564850242.db2.gz UBGMAPSJOLSTGN-QMTHXVAHSA-N -2 3 380.388 2.660 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000558474130 564902593 /nfs/dbraw/zinc/90/25/93/564902593.db2.gz PLYYLXPVRVQOGG-JTQLQIEISA-N -2 3 398.428 2.531 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)s1 ZINC000558685274 564911655 /nfs/dbraw/zinc/91/16/55/564911655.db2.gz MIZGEHIOWWZFRS-XVKPBYJWSA-N -2 3 382.301 2.597 20 0 GFADHL CC(C)C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000532009767 564927081 /nfs/dbraw/zinc/92/70/81/564927081.db2.gz LRKCFBADVTXIHP-JTQLQIEISA-N -2 3 395.253 2.767 20 0 GFADHL O=C([O-])[C@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000560081654 564949460 /nfs/dbraw/zinc/94/94/60/564949460.db2.gz LOBPHQGNRPUUDO-AWEZNQCLSA-N -2 3 389.807 2.983 20 0 GFADHL O=C(COCC(=O)Nc1cc(Cl)ccc1[O-])Nc1cc(Cl)ccc1[O-] ZINC000536239671 565033071 /nfs/dbraw/zinc/03/30/71/565033071.db2.gz MXQYWASGQKSFJY-UHFFFAOYSA-N -2 3 385.203 2.998 20 0 GFADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000562967190 565050168 /nfs/dbraw/zinc/05/01/68/565050168.db2.gz BFJOUFQKDQSLSF-MFKMUULPSA-N -2 3 391.287 2.546 20 0 GFADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000537037727 565052081 /nfs/dbraw/zinc/05/20/81/565052081.db2.gz XBVLSXCEBSNLCJ-UHFFFAOYSA-N -2 3 385.825 2.785 20 0 GFADHL CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000590610567 565194399 /nfs/dbraw/zinc/19/43/99/565194399.db2.gz ZBCGDDSRPYYTGT-WFASDCNBSA-N -2 3 392.518 2.834 20 0 GFADHL CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000592138940 565260329 /nfs/dbraw/zinc/26/03/29/565260329.db2.gz GTBKRCRQAHBQAB-KOLCDFICSA-N -2 3 379.525 2.798 20 0 GFADHL C[C@@H](CSCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC000592451339 565277992 /nfs/dbraw/zinc/27/79/92/565277992.db2.gz SNLYIAHDRYYVFM-QMMMGPOBSA-N -2 3 389.392 2.577 20 0 GFADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1cnc2ccsc2c1)C(F)(F)F ZINC000663293400 565408016 /nfs/dbraw/zinc/40/80/16/565408016.db2.gz GFSVFQHKFTUHCG-QMMMGPOBSA-N -2 3 382.385 2.618 20 0 GFADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000663294139 565408225 /nfs/dbraw/zinc/40/82/25/565408225.db2.gz OQOJMELIRIZQKW-MRVPVSSYSA-N -2 3 389.779 2.670 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H](OC)C1CCCC1 ZINC000663429461 565420041 /nfs/dbraw/zinc/42/00/41/565420041.db2.gz CATBJLPRMKNADC-ZDUSSCGKSA-N -2 3 391.873 2.530 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000644571934 565483135 /nfs/dbraw/zinc/48/31/35/565483135.db2.gz KJAZYFJPTIAAHG-KWQFWETISA-N -2 3 387.351 2.748 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C1CC1 ZINC000645976553 565580128 /nfs/dbraw/zinc/58/01/28/565580128.db2.gz KZMLIXOBJLWYFK-CYBMUJFWSA-N -2 3 381.475 2.755 20 0 GFADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)sc1C(=O)[O-] ZINC000646038254 565584271 /nfs/dbraw/zinc/58/42/71/565584271.db2.gz RRWGNSSTMBJRHY-SSDOTTSWSA-N -2 3 395.384 2.603 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])C1CCOCC1 ZINC000647128417 565639406 /nfs/dbraw/zinc/63/94/06/565639406.db2.gz AYCYERJFRWJKEH-ZDUSSCGKSA-N -2 3 391.873 2.530 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)CC1CC1 ZINC000650430860 565821069 /nfs/dbraw/zinc/82/10/69/565821069.db2.gz AAFBJRSLHJSIPB-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(F)c(Br)cc1C)C(=O)[O-] ZINC000629296179 565837712 /nfs/dbraw/zinc/83/77/12/565837712.db2.gz FMAZFPFDLKAEFC-ZDUSSCGKSA-N -2 3 382.251 2.676 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1C)C(=O)[O-] ZINC000629304346 565839641 /nfs/dbraw/zinc/83/96/41/565839641.db2.gz QOCQUKLKGYLUID-VIFPVBQESA-N -2 3 382.251 2.676 20 0 GFADHL CC(C)(C)C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000652077089 565914086 /nfs/dbraw/zinc/91/40/86/565914086.db2.gz NFFMNRNEWFLQRM-ZDUSSCGKSA-N -2 3 395.253 2.910 20 0 GFADHL CSCc1c2ccccc2oc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000604108995 565923301 /nfs/dbraw/zinc/92/33/01/565923301.db2.gz ZOGAGQVXXLYIDO-UHFFFAOYSA-N -2 3 398.491 2.771 20 0 GFADHL O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000679396351 566041011 /nfs/dbraw/zinc/04/10/11/566041011.db2.gz HGPSOEXZFNCOFB-LLVKDONJSA-N -2 3 393.237 2.760 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)CC(=O)[O-] ZINC000681576770 566114426 /nfs/dbraw/zinc/11/44/26/566114426.db2.gz WJSWACGABBDDCM-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)C(=O)[O-])c1Cl ZINC000681570771 566113736 /nfs/dbraw/zinc/11/37/36/566113736.db2.gz NCMWCYRSASQHTN-ZYHUDNBSSA-N -2 3 396.292 2.768 20 0 GFADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(I)cc1 ZINC000611247639 566124319 /nfs/dbraw/zinc/12/43/19/566124319.db2.gz UOUIEWVJKXZIEW-UHFFFAOYSA-N -2 3 393.177 2.937 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000656719933 566158497 /nfs/dbraw/zinc/15/84/97/566158497.db2.gz RKHOWUXJKPORFW-CYBMUJFWSA-N -2 3 381.475 2.853 20 0 GFADHL O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341064 598842222 /nfs/dbraw/zinc/84/22/22/598842222.db2.gz DHXSCKKBDUKLEO-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341064 598842223 /nfs/dbraw/zinc/84/22/23/598842223.db2.gz DHXSCKKBDUKLEO-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737098392 598946477 /nfs/dbraw/zinc/94/64/77/598946477.db2.gz DCNOAPBGJBVSQZ-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737098392 598946479 /nfs/dbraw/zinc/94/64/79/598946479.db2.gz DCNOAPBGJBVSQZ-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737026969 598948167 /nfs/dbraw/zinc/94/81/67/598948167.db2.gz VGMUEBAAKQGPGN-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737026969 598948169 /nfs/dbraw/zinc/94/81/69/598948169.db2.gz VGMUEBAAKQGPGN-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736350882 598973816 /nfs/dbraw/zinc/97/38/16/598973816.db2.gz OKJRFVBSDKHGIF-CQSZACIVSA-N -2 3 391.497 2.587 20 0 GFADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736350882 598973817 /nfs/dbraw/zinc/97/38/17/598973817.db2.gz OKJRFVBSDKHGIF-CQSZACIVSA-N -2 3 391.497 2.587 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736444487 599221089 /nfs/dbraw/zinc/22/10/89/599221089.db2.gz GEVMRPZIQQJAIE-OAHLLOKOSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736444487 599221090 /nfs/dbraw/zinc/22/10/90/599221090.db2.gz GEVMRPZIQQJAIE-OAHLLOKOSA-N -2 3 393.513 2.809 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000822223764 607326927 /nfs/dbraw/zinc/32/69/27/607326927.db2.gz JIDCQESNAJXFDR-UHFFFAOYSA-N -2 3 398.420 2.686 20 0 GFADHL O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738340475 598438848 /nfs/dbraw/zinc/43/88/48/598438848.db2.gz USKZXIPRJASCMM-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738340475 598438849 /nfs/dbraw/zinc/43/88/49/598438849.db2.gz USKZXIPRJASCMM-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000820178435 607376867 /nfs/dbraw/zinc/37/68/67/607376867.db2.gz PYYJORPTQBCFNJ-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000820178435 607376869 /nfs/dbraw/zinc/37/68/69/607376869.db2.gz PYYJORPTQBCFNJ-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3cc(OC(F)F)ccc32)o1 ZINC000582963062 599775497 /nfs/dbraw/zinc/77/54/97/599775497.db2.gz SFHSOWSGIGOJCK-LBPRGKRZSA-N -2 3 387.360 2.935 20 0 GFADHL Cc1nc(C)c(CCC(=O)Nc2cccc(CSCC(=O)[O-])c2)c(=O)[n-]1 ZINC000738847965 599922797 /nfs/dbraw/zinc/92/27/97/599922797.db2.gz RIUDBUQHMDLJRP-UHFFFAOYSA-N -2 3 375.450 2.688 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000590565952 599926496 /nfs/dbraw/zinc/92/64/96/599926496.db2.gz GKSMHCRDHOFZNI-UHFFFAOYSA-N -2 3 379.434 2.828 20 0 GFADHL CCN(CCC(=O)[O-])Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000737096882 600090564 /nfs/dbraw/zinc/09/05/64/600090564.db2.gz SMXSEJGTCBYYBZ-UHFFFAOYSA-N -2 3 387.461 2.957 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1F ZINC000738064228 600489239 /nfs/dbraw/zinc/48/92/39/600489239.db2.gz XZZXRKALTGABHT-UHFFFAOYSA-N -2 3 383.397 2.879 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000515299596 600650976 /nfs/dbraw/zinc/65/09/76/600650976.db2.gz QUWNHIYJXNWHEM-INIZCTEOSA-N -2 3 388.445 2.666 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1C(=O)[O-] ZINC000298842068 600811674 /nfs/dbraw/zinc/81/16/74/600811674.db2.gz GYHQVLWTZYPKPZ-UHFFFAOYSA-N -2 3 388.445 2.616 20 0 GFADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)N(C)C)cc1 ZINC000832923580 600994778 /nfs/dbraw/zinc/99/47/78/600994778.db2.gz QGAOWUNRDPEZAY-CQSZACIVSA-N -2 3 398.431 2.553 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc(OCC(F)(F)F)c2)cc1C(=O)[O-] ZINC000567804333 601216775 /nfs/dbraw/zinc/21/67/75/601216775.db2.gz BOEWYZWNSKDKBV-UHFFFAOYSA-N -2 3 393.339 2.706 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2coc(-c3ccc(C)cc3)n2)cc1C(=O)[O-] ZINC000832908403 601224064 /nfs/dbraw/zinc/22/40/64/601224064.db2.gz JLTXZBCXAJVTFJ-UHFFFAOYSA-N -2 3 376.390 2.728 20 0 GFADHL Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3F)nc21 ZINC000832975041 601239733 /nfs/dbraw/zinc/23/97/33/601239733.db2.gz VNULLDCBSBRXDI-UHFFFAOYSA-N -2 3 396.371 2.634 20 0 GFADHL COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000747605324 601320387 /nfs/dbraw/zinc/32/03/87/601320387.db2.gz ZOGWHKMDPQAHOT-RUDMXATFSA-N -2 3 379.365 2.511 20 0 GFADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831084557 601387498 /nfs/dbraw/zinc/38/74/98/601387498.db2.gz NCLBPMFTEDEGSA-HNNXBMFYSA-N -2 3 397.836 2.539 20 0 GFADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000828672467 601480279 /nfs/dbraw/zinc/48/02/79/601480279.db2.gz SKPXPONAXAGEBW-CQSZACIVSA-N -2 3 398.264 2.702 20 0 GFADHL Cc1ccc(NC(=O)CCNC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000738617604 602116879 /nfs/dbraw/zinc/11/68/79/602116879.db2.gz XZRDQSGZGQCFCK-UHFFFAOYSA-N -2 3 395.412 2.531 20 0 GFADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000831466967 602216526 /nfs/dbraw/zinc/21/65/26/602216526.db2.gz OCMHYWVUSOMPHC-AWEZNQCLSA-N -2 3 397.474 2.665 20 0 GFADHL O=C([O-])N1CCc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])ccc21 ZINC000740471817 602272787 /nfs/dbraw/zinc/27/27/87/602272787.db2.gz LIVUECATYOHYNK-KRWDZBQOSA-N -2 3 395.415 2.676 20 0 GFADHL O=C([O-])N1CCCc2cc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)ccc21 ZINC000740465031 602554448 /nfs/dbraw/zinc/55/44/48/602554448.db2.gz OHWYKEMMSRLQCL-UHFFFAOYSA-N -2 3 380.360 2.645 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCC[C@@H]3CNC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000830685899 603284729 /nfs/dbraw/zinc/28/47/29/603284729.db2.gz LAIIHUJGHRWEHZ-UKRRQHHQSA-N -2 3 385.424 2.715 20 0 GFADHL CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])nc2)n1 ZINC000827557005 604017345 /nfs/dbraw/zinc/01/73/45/604017345.db2.gz OXFZGUCTFATJTD-RISCZKNCSA-N -2 3 387.440 2.722 20 0 GFADHL O=C([O-])N1CCc2nc([N-]C(=O)c3c(F)c(F)cc(F)c3F)sc2C1 ZINC000831811015 604050585 /nfs/dbraw/zinc/05/05/85/604050585.db2.gz XQTGGXUIEXFLLC-UHFFFAOYSA-N -2 3 375.303 2.988 20 0 GFADHL O=C([O-])c1ccc(CCNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000833145382 604294247 /nfs/dbraw/zinc/29/42/47/604294247.db2.gz FLSCYJQLMREHQW-UHFFFAOYSA-N -2 3 393.237 2.895 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@@](C)(CNC(=O)[O-])C3CC3)cc2)cc(=O)[n-]1 ZINC000830687907 604302395 /nfs/dbraw/zinc/30/23/95/604302395.db2.gz YUCIRYHEHALINO-IBGZPJMESA-N -2 3 385.424 2.715 20 0 GFADHL CCCCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000829339305 604487397 /nfs/dbraw/zinc/48/73/97/604487397.db2.gz GEXGZLVJTUNQLG-NSHDSACASA-N -2 3 382.251 2.900 20 0 GFADHL CCc1[nH]c(C(=O)NCc2ccc([O-])c(Br)c2)c(C)c1C(=O)[O-] ZINC000830195885 604712372 /nfs/dbraw/zinc/71/23/72/604712372.db2.gz DNDXNFGXKUEYKR-UHFFFAOYSA-N -2 3 381.226 2.982 20 0 GFADHL Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2)n1C ZINC000448126628 604792067 /nfs/dbraw/zinc/79/20/67/604792067.db2.gz COLMNGCZYVLXKT-UHFFFAOYSA-N -2 3 386.433 2.598 20 0 GFADHL COCCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000831796031 604806266 /nfs/dbraw/zinc/80/62/66/604806266.db2.gz YHNPZHSJZLERCL-UHFFFAOYSA-N -2 3 399.852 2.793 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)c1F ZINC000833294425 604813958 /nfs/dbraw/zinc/81/39/58/604813958.db2.gz SKPLDOBPJOCIBW-UHFFFAOYSA-N -2 3 380.372 2.665 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(C(=O)[O-])c1 ZINC000507612577 605166754 /nfs/dbraw/zinc/16/67/54/605166754.db2.gz FISHVELHBWXOIH-UHFFFAOYSA-N -3 3 379.390 2.509 20 0 GFADHL C[C@]1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC[C@@H]1C(=O)[O-] ZINC000833568973 605246566 /nfs/dbraw/zinc/24/65/66/605246566.db2.gz JKFWKMYAGNRXEF-YGRLFVJLSA-N -2 3 394.262 2.900 20 0 GFADHL CCCCc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000821083479 606468971 /nfs/dbraw/zinc/46/89/71/606468971.db2.gz ZQSBYSGZZRQUAR-UHFFFAOYSA-N -2 3 399.889 2.515 20 0 GFADHL CCCCc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000821083479 606468972 /nfs/dbraw/zinc/46/89/72/606468972.db2.gz ZQSBYSGZZRQUAR-UHFFFAOYSA-N -2 3 399.889 2.515 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821043621 606745835 /nfs/dbraw/zinc/74/58/35/606745835.db2.gz QSOJRJMIBRLYLK-INIZCTEOSA-N -2 3 393.513 2.665 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821043621 606745837 /nfs/dbraw/zinc/74/58/37/606745837.db2.gz QSOJRJMIBRLYLK-INIZCTEOSA-N -2 3 393.513 2.665 20 0 GFADHL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820177894 606863809 /nfs/dbraw/zinc/86/38/09/606863809.db2.gz CODZCCKIMSMKRM-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820177894 606863811 /nfs/dbraw/zinc/86/38/11/606863811.db2.gz CODZCCKIMSMKRM-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000820081780 607001825 /nfs/dbraw/zinc/00/18/25/607001825.db2.gz VHVZULVTXKBKRD-UHFFFAOYSA-N -2 3 395.876 2.564 20 0 GFADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000820081780 607001827 /nfs/dbraw/zinc/00/18/27/607001827.db2.gz VHVZULVTXKBKRD-UHFFFAOYSA-N -2 3 395.876 2.564 20 0 GFADHL CSc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000826230866 608396273 /nfs/dbraw/zinc/39/62/73/608396273.db2.gz MRZFEUUNQSLUHR-UHFFFAOYSA-N -2 3 379.442 2.837 20 0 GFADHL CSc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000826230866 608396274 /nfs/dbraw/zinc/39/62/74/608396274.db2.gz MRZFEUUNQSLUHR-UHFFFAOYSA-N -2 3 379.442 2.837 20 0 GFADHL O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493048 609529971 /nfs/dbraw/zinc/52/99/71/609529971.db2.gz PYSHBTXSAYYXMS-UHFFFAOYSA-N -2 3 391.840 2.646 20 0 GFADHL CC(C)(C)C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000821250795 660319443 /nfs/dbraw/zinc/31/94/43/660319443.db2.gz SPFXUYXHASJEFX-GHMZBOCLSA-N -2 3 384.281 2.522 20 0 GFADHL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824094463 660385401 /nfs/dbraw/zinc/38/54/01/660385401.db2.gz WCWSAJAFPSMUEX-UHFFFAOYSA-N -2 3 378.483 2.713 20 0 GFADHL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824094463 660385402 /nfs/dbraw/zinc/38/54/02/660385402.db2.gz WCWSAJAFPSMUEX-UHFFFAOYSA-N -2 3 378.483 2.713 20 0 GFADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c1 ZINC000826281247 660452466 /nfs/dbraw/zinc/45/24/66/660452466.db2.gz KSROFDFCJFIMFN-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1C ZINC000032595863 654606085 /nfs/dbraw/zinc/60/60/85/654606085.db2.gz WFURJLCNJPDQEP-UHFFFAOYSA-N -2 3 384.479 2.566 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Br)CC(=O)[O-] ZINC000276854841 655290456 /nfs/dbraw/zinc/29/04/56/655290456.db2.gz FLFAFNVMYOZWMN-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)[O-])C2)s1 ZINC000577373384 655457945 /nfs/dbraw/zinc/45/79/45/655457945.db2.gz HZIVXMZBWVOXJK-DTWKUNHWSA-N -2 3 382.301 2.741 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(F)F ZINC000578755265 655486345 /nfs/dbraw/zinc/48/63/45/655486345.db2.gz ZGHAGWRNSUDQGK-LURJTMIESA-N -2 3 393.742 2.576 20 0 GFADHL COC1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCC1 ZINC000840888873 661199117 /nfs/dbraw/zinc/19/91/17/661199117.db2.gz DJLDHZKIMONJOU-UHFFFAOYSA-N -2 3 382.265 2.929 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]Cc2ccccc2)s1 ZINC000761231946 656004111 /nfs/dbraw/zinc/00/41/11/656004111.db2.gz UPKXRMNUIHGTSS-UHFFFAOYSA-N -2 3 376.253 2.687 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)Cc1ccc(Cl)cc1 ZINC000776534462 656753612 /nfs/dbraw/zinc/75/36/12/656753612.db2.gz QOKSDDAKANPXGU-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000871979603 662748545 /nfs/dbraw/zinc/74/85/45/662748545.db2.gz QVYVCMMCDWZVAW-LDYMZIIASA-N -2 3 387.401 2.533 20 0 GFADHL COc1cnc([C@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])[n-]c1=O ZINC000889791201 663267153 /nfs/dbraw/zinc/26/71/53/663267153.db2.gz XZJFTLAYISZKQQ-LLVKDONJSA-N -2 3 394.225 2.636 20 0 GFADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000909158907 664147408 /nfs/dbraw/zinc/14/74/08/664147408.db2.gz HIZFHZLTCPFSHI-SUNKGSAMSA-N -2 3 383.242 2.549 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])sc1Br ZINC000164894434 551627923 /nfs/dbraw/zinc/62/79/23/551627923.db2.gz VGRAMYHDQMTXLK-PRHODGIISA-N -2 3 382.301 2.741 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1F ZINC000178117806 552164528 /nfs/dbraw/zinc/16/45/28/552164528.db2.gz MTEWYPRYURNJOI-UHFFFAOYSA-N -2 3 394.396 2.585 20 0 GFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000262618418 553172967 /nfs/dbraw/zinc/17/29/67/553172967.db2.gz FFOBXWZBKNXMPO-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@H]1CCOC2(CCC2)C1 ZINC000372260039 563300466 /nfs/dbraw/zinc/30/04/66/563300466.db2.gz FWCLKBRQYNQHHT-IINYFYTJSA-N -2 3 391.848 2.560 20 0 GFADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000421237465 563303113 /nfs/dbraw/zinc/30/31/13/563303113.db2.gz RGAQXSOKUKJXOE-CQSZACIVSA-N -2 3 384.527 2.900 20 0 GFADHL C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(F)cc2Br)(C(=O)[O-])C1 ZINC000314740983 563439632 /nfs/dbraw/zinc/43/96/32/563439632.db2.gz BVQUZVWLKKJWLR-OTYXRUKQSA-N -2 3 394.262 2.900 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)sc1C(=O)[O-] ZINC000315714000 563440938 /nfs/dbraw/zinc/44/09/38/563440938.db2.gz QTXYFUFADCQGNE-UHFFFAOYSA-N -2 3 381.262 2.935 20 0 GFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)c1Cl ZINC000325427331 563453875 /nfs/dbraw/zinc/45/38/75/563453875.db2.gz PWYDNUHZUWDFPY-UHFFFAOYSA-N -2 3 396.292 2.770 20 0 GFADHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1OC ZINC000327444875 563457842 /nfs/dbraw/zinc/45/78/42/563457842.db2.gz AVDHCVIUGPFRAZ-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCc1ccco1 ZINC000392880094 563527632 /nfs/dbraw/zinc/52/76/32/563527632.db2.gz GDOKUTMEXDWUMB-JTQLQIEISA-N -2 3 387.841 2.939 20 0 GFADHL CCCS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2ccco2)c(F)cc1F ZINC000437656355 563697599 /nfs/dbraw/zinc/69/75/99/563697599.db2.gz NQXOEZIZRSQQFX-UHFFFAOYSA-N -2 3 380.394 2.510 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1OC ZINC000447789925 563886477 /nfs/dbraw/zinc/88/64/77/563886477.db2.gz VFTHEIVQGXCICD-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)ccc1C(=O)[O-] ZINC000506663219 564208185 /nfs/dbraw/zinc/20/81/85/564208185.db2.gz QLBAFOIMXJLWOT-DEOSSOPVSA-N -2 3 381.475 2.681 20 0 GFADHL O=C([N-]c1n[n-]c(SCCO)n1)c1c(F)ccc(SCC2CC2)c1F ZINC000450124102 564218365 /nfs/dbraw/zinc/21/83/65/564218365.db2.gz DLHVLIYIPOUTFZ-UHFFFAOYSA-N -2 3 386.449 2.922 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCc2c[nH]c3ccc(F)cc23)c1 ZINC000507778030 564242408 /nfs/dbraw/zinc/24/24/08/564242408.db2.gz VCZGGFDFTDLMOI-UHFFFAOYSA-N -2 3 382.438 2.978 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccn1 ZINC000565516181 564284448 /nfs/dbraw/zinc/28/44/48/564284448.db2.gz GTQACXLNCJRHHL-SNVBAGLBSA-N -2 3 389.260 2.610 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000565538171 564285541 /nfs/dbraw/zinc/28/55/41/564285541.db2.gz PKZAFWSRNCHWPX-NSHDSACASA-N -2 3 383.447 2.647 20 0 GFADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCCOc2cc(Cl)ccc21 ZINC000566174413 564314371 /nfs/dbraw/zinc/31/43/71/564314371.db2.gz QFRZZISOJZZPDN-JTQLQIEISA-N -2 3 388.854 2.687 20 0 GFADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000567804773 564390041 /nfs/dbraw/zinc/39/00/41/564390041.db2.gz YQCHPZVJFFUZJK-UHFFFAOYSA-N -2 3 385.825 2.615 20 0 GFADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c3ccc(Cl)cc3)cn21 ZINC000568847100 564437261 /nfs/dbraw/zinc/43/72/61/564437261.db2.gz DUKYXDYEBKWGCV-ZUZCIYMTSA-N -2 3 383.857 2.538 20 0 GFADHL CCCC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000546745737 564466743 /nfs/dbraw/zinc/46/67/43/564466743.db2.gz LCZNYJZIMXGLPV-LBPRGKRZSA-N -2 3 381.226 2.664 20 0 GFADHL O=S(=O)([N-]Cc1ncccc1[O-])c1c(Cl)cc(F)cc1Br ZINC000480735613 564485256 /nfs/dbraw/zinc/48/52/56/564485256.db2.gz LEKAWRZNJUARAB-UHFFFAOYSA-N -2 3 395.637 2.821 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(O)cc1 ZINC000547555804 564494192 /nfs/dbraw/zinc/49/41/92/564494192.db2.gz LAXOYXGWBKUWLM-SNVBAGLBSA-N -2 3 382.246 2.865 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](Cc3ccco3)C(=O)[O-])s2)cs1 ZINC000547561617 564494477 /nfs/dbraw/zinc/49/44/77/564494477.db2.gz CZJWPPITSPZISZ-NSHDSACASA-N -2 3 398.487 2.747 20 0 GFADHL Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000547555736 564494489 /nfs/dbraw/zinc/49/44/89/564494489.db2.gz IKULXMZFKRFHLI-CQSZACIVSA-N -2 3 384.797 2.661 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000547573003 564496620 /nfs/dbraw/zinc/49/66/20/564496620.db2.gz UCRRXZSUGRLQLT-NSHDSACASA-N -2 3 391.873 2.542 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000570620075 564514283 /nfs/dbraw/zinc/51/42/83/564514283.db2.gz BMGZPXNKVURGLO-ZDUSSCGKSA-N -2 3 392.264 2.875 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000516863173 564514589 /nfs/dbraw/zinc/51/45/89/564514589.db2.gz WRSXRNDDEGUHBJ-LDYMZIIASA-N -2 3 382.251 2.612 20 0 GFADHL C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]1C ZINC000481601561 564517565 /nfs/dbraw/zinc/51/75/65/564517565.db2.gz UEDLBDGGUZVNAG-AGIUHOORSA-N -2 3 392.518 2.548 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000570869067 564525086 /nfs/dbraw/zinc/52/50/86/564525086.db2.gz WLXTVHJNQNMGSH-MRVPVSSYSA-N -2 3 386.398 2.636 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2(C3(C)CC3)CC2)c(F)c1 ZINC000571136095 564537540 /nfs/dbraw/zinc/53/75/40/564537540.db2.gz BMYBAAZRAKMAOO-UHFFFAOYSA-N -2 3 390.502 2.588 20 0 GFADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000548218031 564538223 /nfs/dbraw/zinc/53/82/23/564538223.db2.gz ZCNHBBPWHAZOGC-JTQLQIEISA-N -2 3 385.463 2.610 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000548242635 564542247 /nfs/dbraw/zinc/54/22/47/564542247.db2.gz SRFUJPNFIVGDCH-CQSZACIVSA-N -2 3 387.816 2.982 20 0 GFADHL Cc1nc(CCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)sc1C(=O)[O-] ZINC000548528955 564555726 /nfs/dbraw/zinc/55/57/26/564555726.db2.gz GUNRGVKJRSXFHV-UHFFFAOYSA-N -2 3 392.861 2.853 20 0 GFADHL CCCC[C@@H](CCC)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000484794318 564598904 /nfs/dbraw/zinc/59/89/04/564598904.db2.gz IRTBUJVHVJVELP-GFCCVEGCSA-N -2 3 380.507 2.834 20 0 GFADHL COc1cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c(Cl)cc1C(=O)[O-] ZINC000485357512 564612690 /nfs/dbraw/zinc/61/26/90/564612690.db2.gz VITLDRSDMZERJI-MRVPVSSYSA-N -2 3 383.800 2.761 20 0 GFADHL NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(Cl)cc1Cl ZINC000550111538 564615445 /nfs/dbraw/zinc/61/54/45/564615445.db2.gz VUFCQQNXPRINLA-UHFFFAOYSA-N -2 3 389.216 2.591 20 0 GFADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000573034860 564620197 /nfs/dbraw/zinc/62/01/97/564620197.db2.gz ZHCZQBIOYGOTGM-HZMBPMFUSA-N -2 3 380.388 2.660 20 0 GFADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-])C1CC1 ZINC000573545546 564643296 /nfs/dbraw/zinc/64/32/96/564643296.db2.gz RSWHNEOFAJQVMF-JVXZTZIISA-N -2 3 396.690 2.880 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000526060684 564718360 /nfs/dbraw/zinc/71/83/60/564718360.db2.gz MRMFVPUKNZIYDN-VXGBXAGGSA-N -2 3 393.889 2.533 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)cc1Cl ZINC000527200016 564733313 /nfs/dbraw/zinc/73/33/13/564733313.db2.gz KJEUQHNUEGJEFT-UHFFFAOYSA-N -2 3 380.205 2.772 20 0 GFADHL COC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000580427562 564758072 /nfs/dbraw/zinc/75/80/72/564758072.db2.gz CTAXMOIKPPQHRE-GFCCVEGCSA-N -2 3 391.417 2.699 20 0 GFADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1Cl ZINC000555715289 564802671 /nfs/dbraw/zinc/80/26/71/564802671.db2.gz XRYKHJHLWAUVCK-UHFFFAOYSA-N -2 3 389.838 2.996 20 0 GFADHL COc1cc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c(Cl)cc1C(=O)[O-] ZINC000583765084 564905847 /nfs/dbraw/zinc/90/58/47/564905847.db2.gz PVNPAODKWXIVBU-UHFFFAOYSA-N -2 3 389.779 2.914 20 0 GFADHL O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1cc(Cl)c([O-])cc1F ZINC000561670707 565005119 /nfs/dbraw/zinc/00/51/19/565005119.db2.gz UOPUZDUNCGBRRN-UHFFFAOYSA-N -2 3 390.795 2.631 20 0 GFADHL COc1cc(Br)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1O ZINC000504710834 565043572 /nfs/dbraw/zinc/04/35/72/565043572.db2.gz FANURMJJFBXEIQ-ONEGZZNKSA-N -2 3 395.209 2.765 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)(C)c1cccc(F)c1 ZINC000584588340 565089546 /nfs/dbraw/zinc/08/95/46/565089546.db2.gz BSXWFQKZWYOHDU-UHFFFAOYSA-N -2 3 387.454 2.850 20 0 GFADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-])C1CC1 ZINC000644629209 565485435 /nfs/dbraw/zinc/48/54/35/565485435.db2.gz BPTRZCIGXHWFRM-KRTXAFLBSA-N -2 3 385.335 2.502 20 0 GFADHL CC[C@](C)([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)c1nc(C)cs1 ZINC000645977933 565580198 /nfs/dbraw/zinc/58/01/98/565580198.db2.gz NQSYQJPOUQJDFN-AWEZNQCLSA-N -2 3 390.508 2.824 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])c1Cl ZINC000647928914 565684540 /nfs/dbraw/zinc/68/45/40/565684540.db2.gz YLWITBKJYLMCON-LBPRGKRZSA-N -2 3 389.260 2.671 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2c[nH]c3cccnc23)C(=O)[O-])sc1Cl ZINC000669623262 565695774 /nfs/dbraw/zinc/69/57/74/565695774.db2.gz RSFQGAOXIKOKNV-NSHDSACASA-N -2 3 399.881 2.560 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@@H](C)C(=O)[O-] ZINC000650421138 565820006 /nfs/dbraw/zinc/82/00/06/565820006.db2.gz JMNUVIWVXNUIBN-RNFRBKRXSA-N -2 3 375.752 2.626 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000650426859 565820401 /nfs/dbraw/zinc/82/04/01/565820401.db2.gz VTRISXWHHZTYJW-VIFPVBQESA-N -2 3 386.882 2.995 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000629295234 565837553 /nfs/dbraw/zinc/83/75/53/565837553.db2.gz NLODBPQATORIAV-NSHDSACASA-N -2 3 382.251 2.674 20 0 GFADHL CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC000629301065 565839157 /nfs/dbraw/zinc/83/91/57/565839157.db2.gz XYIGEQPTOGQLMX-LBPRGKRZSA-N -2 3 375.368 2.809 20 0 GFADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-])C1CC1 ZINC000656169850 566109702 /nfs/dbraw/zinc/10/97/02/566109702.db2.gz RVQWGNPZWUITDP-STQMWFEESA-N -2 3 382.265 2.540 20 0 GFADHL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737048123 598929100 /nfs/dbraw/zinc/92/91/00/598929100.db2.gz WVPKEAWFNNXCPW-UHFFFAOYSA-N -2 3 393.856 2.946 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000736635439 598283253 /nfs/dbraw/zinc/28/32/53/598283253.db2.gz UICOXFPJIBDJDF-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1F ZINC000737369536 598548559 /nfs/dbraw/zinc/54/85/59/598548559.db2.gz IUWNTOSVTNPONG-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(Cl)cc(C)c1O ZINC000822223913 599303992 /nfs/dbraw/zinc/30/39/92/599303992.db2.gz PAEDQEFNJZJSLP-UHFFFAOYSA-N -2 3 379.829 2.643 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)(C)NC(=O)[O-])cc2)cc1 ZINC000738655401 599723370 /nfs/dbraw/zinc/72/33/70/599723370.db2.gz SLFRRBCVIFUTQG-UHFFFAOYSA-N -2 3 391.449 2.781 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccs1 ZINC000739635485 599724898 /nfs/dbraw/zinc/72/48/98/599724898.db2.gz RIOPELDXEDVBOG-SSDOTTSWSA-N -2 3 381.262 2.944 20 0 GFADHL C[C@@H](COc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000578863991 599774460 /nfs/dbraw/zinc/77/44/60/599774460.db2.gz ZUSPLECGHVNBBG-VIFPVBQESA-N -2 3 393.339 2.742 20 0 GFADHL O=C([O-])c1sc2ccccc2c1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000739435403 599881114 /nfs/dbraw/zinc/88/11/14/599881114.db2.gz AYVHUEPPDMWZJY-UHFFFAOYSA-N -2 3 395.396 2.805 20 0 GFADHL O=C([O-])c1cc(F)ccc1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000740077657 600115179 /nfs/dbraw/zinc/11/51/79/600115179.db2.gz FGLHNHLPYGRUFV-INIZCTEOSA-N -2 3 387.363 2.578 20 0 GFADHL COc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)c1 ZINC000262070588 600483921 /nfs/dbraw/zinc/48/39/21/600483921.db2.gz ISSBJQNRMBFPRU-QGZVFWFLSA-N -2 3 398.415 2.732 20 0 GFADHL O=C([O-])c1ccsc1N1CC[C@H](OC(=O)c2cc3ccsc3[n-]2)C1=O ZINC000833350457 601072343 /nfs/dbraw/zinc/07/23/43/601072343.db2.gz WSPIAFZPSDMCET-NSHDSACASA-N -2 3 376.415 2.951 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2)cc1C(=O)[O-] ZINC000833028132 601223046 /nfs/dbraw/zinc/22/30/46/601223046.db2.gz JYXOCIRLLDQJPQ-GFCCVEGCSA-N -2 3 398.868 2.887 20 0 GFADHL C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827524613 601232685 /nfs/dbraw/zinc/23/26/85/601232685.db2.gz IGMISDPMLFKHOG-VIFPVBQESA-N -2 3 389.351 2.548 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)c1F ZINC000833295652 601233197 /nfs/dbraw/zinc/23/31/97/601233197.db2.gz XHXIOTNWCFGAKC-UHFFFAOYSA-N -2 3 396.415 2.610 20 0 GFADHL CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C)c(C(=O)[O-])c3)ccc21 ZINC000608343254 601333477 /nfs/dbraw/zinc/33/34/77/601333477.db2.gz QENCQCVUDQROND-UHFFFAOYSA-N -2 3 388.445 2.793 20 0 GFADHL CC(C)c1csc(C[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC000827144355 602009884 /nfs/dbraw/zinc/00/98/84/602009884.db2.gz KRZMQJIPKKOOLP-UHFFFAOYSA-N -2 3 376.406 2.721 20 0 GFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@H]1C ZINC000252202994 602140047 /nfs/dbraw/zinc/14/00/47/602140047.db2.gz UMQZLXVOSLKKNR-HRDYMLBCSA-N -2 3 380.260 2.843 20 0 GFADHL CCOCCC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCC1 ZINC000829994440 602165999 /nfs/dbraw/zinc/16/59/99/602165999.db2.gz MLVDPMYXVFVSQE-UHFFFAOYSA-N -2 3 391.436 2.928 20 0 GFADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])cs2)ccc1F ZINC000826980395 602184885 /nfs/dbraw/zinc/18/48/85/602184885.db2.gz KXQTXOGDJRZGGF-UHFFFAOYSA-N -2 3 386.426 2.524 20 0 GFADHL CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829055358 602221679 /nfs/dbraw/zinc/22/16/79/602221679.db2.gz HHZBQWFRZZVOMG-NWDGAFQWSA-N -2 3 377.409 2.535 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N(C)C3CCN(C(=O)[O-])CC3)cc2)cc(=O)[n-]1 ZINC000740207846 602304918 /nfs/dbraw/zinc/30/49/18/602304918.db2.gz KROYCYFOSPVYTO-UHFFFAOYSA-N -2 3 385.424 2.764 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@H](CN(C)C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740206210 602552897 /nfs/dbraw/zinc/55/28/97/602552897.db2.gz CTTKQFAVAOHYIZ-CYBMUJFWSA-N -2 3 385.424 2.621 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc(C(=O)[O-])c1C ZINC000830138722 604427414 /nfs/dbraw/zinc/42/74/14/604427414.db2.gz YSKPMZUMULCKDX-UHFFFAOYSA-N -3 3 390.417 2.843 20 0 GFADHL CCc1cccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825728380 607694865 /nfs/dbraw/zinc/69/48/65/607694865.db2.gz NXQQZOLDGOOFRX-UHFFFAOYSA-N -2 3 398.370 2.644 20 0 GFADHL CCc1cccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825728380 607694866 /nfs/dbraw/zinc/69/48/66/607694866.db2.gz NXQQZOLDGOOFRX-UHFFFAOYSA-N -2 3 398.370 2.644 20 0 GFADHL Cc1cc([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])oc1C(=O)[O-] ZINC000832873765 604565168 /nfs/dbraw/zinc/56/51/68/604565168.db2.gz HVOUXKAOBVKUAB-TZMCWYRMSA-N -2 3 387.388 2.901 20 0 GFADHL C[C@@]1([N-]S(=O)(=O)c2ccc(Br)s2)CCCC[C@H]1C(=O)[O-] ZINC000833569557 604808230 /nfs/dbraw/zinc/80/82/30/604808230.db2.gz MUFNRNGRRCMBJX-QPUJVOFHSA-N -2 3 382.301 2.822 20 0 GFADHL Cc1nc(C)c(CC(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000833754739 605412723 /nfs/dbraw/zinc/41/27/23/605412723.db2.gz GCWXCALUDGYGRN-CQSZACIVSA-N -2 3 397.353 2.693 20 0 GFADHL O=C([O-])Nc1ccc(F)c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000834262144 605839144 /nfs/dbraw/zinc/83/91/44/605839144.db2.gz RLXLVZWZWQWXNG-OAHLLOKOSA-N -2 3 387.367 2.865 20 0 GFADHL O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823589028 606332020 /nfs/dbraw/zinc/33/20/20/606332020.db2.gz ITHGRBKNOKQASB-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823589028 606332021 /nfs/dbraw/zinc/33/20/21/606332021.db2.gz ITHGRBKNOKQASB-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000819951223 606590529 /nfs/dbraw/zinc/59/05/29/606590529.db2.gz PESNCRJICYARCW-UHFFFAOYSA-N -2 3 387.465 2.983 20 0 GFADHL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(F)c(-c4nnn[n-]4)c3)c2n1 ZINC000822279921 606633008 /nfs/dbraw/zinc/63/30/08/606633008.db2.gz FTNVMWSHSNLPRS-UHFFFAOYSA-N -2 3 384.396 2.663 20 0 GFADHL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(F)c(-c4nn[n-]n4)c3)c2n1 ZINC000822279921 606633009 /nfs/dbraw/zinc/63/30/09/606633009.db2.gz FTNVMWSHSNLPRS-UHFFFAOYSA-N -2 3 384.396 2.663 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821043893 606745965 /nfs/dbraw/zinc/74/59/65/606745965.db2.gz VGOHFKOQZNDMET-HNNXBMFYSA-N -2 3 379.486 2.524 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821043893 606745966 /nfs/dbraw/zinc/74/59/66/606745966.db2.gz VGOHFKOQZNDMET-HNNXBMFYSA-N -2 3 379.486 2.524 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000821043468 606749074 /nfs/dbraw/zinc/74/90/74/606749074.db2.gz QGOPAYWAYOMJDL-HNNXBMFYSA-N -2 3 393.513 2.833 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000821043468 606749076 /nfs/dbraw/zinc/74/90/76/606749076.db2.gz QGOPAYWAYOMJDL-HNNXBMFYSA-N -2 3 393.513 2.833 20 0 GFADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822259172 606765436 /nfs/dbraw/zinc/76/54/36/606765436.db2.gz OJZLFIYWRKPUOJ-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822259172 606765437 /nfs/dbraw/zinc/76/54/37/606765437.db2.gz OJZLFIYWRKPUOJ-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1c2nc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)sc2ccc1F ZINC000822035184 606768759 /nfs/dbraw/zinc/76/87/59/606768759.db2.gz RPWRSTVWQMDHLV-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL Cc1c2nc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)sc2ccc1F ZINC000822035184 606768760 /nfs/dbraw/zinc/76/87/60/606768760.db2.gz RPWRSTVWQMDHLV-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823583679 606870863 /nfs/dbraw/zinc/87/08/63/606870863.db2.gz XVVYYMBXJJMCKS-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823583679 606870865 /nfs/dbraw/zinc/87/08/65/606870865.db2.gz XVVYYMBXJJMCKS-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c(C)c1C ZINC000822020408 607026208 /nfs/dbraw/zinc/02/62/08/607026208.db2.gz CCTNNMHQSGNEOV-UHFFFAOYSA-N -2 3 378.483 2.666 20 0 GFADHL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825080905 608095625 /nfs/dbraw/zinc/09/56/25/608095625.db2.gz CZCFPAAIDGMLSM-LLVKDONJSA-N -2 3 387.469 2.712 20 0 GFADHL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825080905 608095626 /nfs/dbraw/zinc/09/56/26/608095626.db2.gz CZCFPAAIDGMLSM-LLVKDONJSA-N -2 3 387.469 2.712 20 0 GFADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825038694 609529581 /nfs/dbraw/zinc/52/95/81/609529581.db2.gz GDFUGTHMTFVYMU-UHFFFAOYSA-N -2 3 391.840 2.914 20 0 GFADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825038694 609529586 /nfs/dbraw/zinc/52/95/86/609529586.db2.gz GDFUGTHMTFVYMU-UHFFFAOYSA-N -2 3 391.840 2.914 20 0 GFADHL O=S(=O)(N=S1(=O)CCCC1)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000821184545 660318224 /nfs/dbraw/zinc/31/82/24/660318224.db2.gz CHSIOEVQQIXIEJ-UHFFFAOYSA-N -2 3 380.491 2.902 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C)c1Cl ZINC000821248155 660319225 /nfs/dbraw/zinc/31/92/25/660319225.db2.gz JQQSOPUCDGCLKV-ZYHUDNBSSA-N -2 3 398.308 2.830 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826208672 660451610 /nfs/dbraw/zinc/45/16/10/660451610.db2.gz VJTXZESHYUDLIQ-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Br ZINC000103059427 655066451 /nfs/dbraw/zinc/06/64/51/655066451.db2.gz NBPCDCHBEYRFQO-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL CSC(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273718093 655155820 /nfs/dbraw/zinc/15/58/20/655155820.db2.gz QDPNLJGYBDRNJI-UHFFFAOYSA-N -2 3 388.330 2.629 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c(Cl)c1Cl ZINC000275225068 655223681 /nfs/dbraw/zinc/22/36/81/655223681.db2.gz IUTQWNAFGPMRDR-YFKPBYRVSA-N -2 3 396.170 2.686 20 0 GFADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C2CC2)s1 ZINC000185067436 655362294 /nfs/dbraw/zinc/36/22/94/655362294.db2.gz KNDQQRMWJFTBRI-CYBMUJFWSA-N -2 3 388.417 2.858 20 0 GFADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000702251126 655521686 /nfs/dbraw/zinc/52/16/86/655521686.db2.gz MDKUZYUVRMCFKB-MRVPVSSYSA-N -2 3 380.647 2.554 20 0 GFADHL O=C(NCc1ccc([O-])c(F)c1)c1cccc(I)c1[O-] ZINC000755534526 655885351 /nfs/dbraw/zinc/88/53/51/655885351.db2.gz WOFHXANVUMSOKC-UHFFFAOYSA-N -2 3 387.148 2.772 20 0 GFADHL CC[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000840891024 661199508 /nfs/dbraw/zinc/19/95/08/661199508.db2.gz UGCSMEDSDIMIRV-BDAKNGLRSA-N -2 3 380.260 2.845 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2C2CC2)c(Br)o1 ZINC000840896315 661202809 /nfs/dbraw/zinc/20/28/09/661202809.db2.gz HUJBBAFVSSEHHJ-NXEZZACHSA-N -2 3 392.271 2.845 20 0 GFADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000761309781 656010123 /nfs/dbraw/zinc/01/01/23/656010123.db2.gz QFQWOYPBIZMCIA-CYBMUJFWSA-N -2 3 387.841 2.914 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)c1 ZINC000775673295 656662943 /nfs/dbraw/zinc/66/29/43/656662943.db2.gz YNFOMXJIQKXUIZ-UHFFFAOYSA-N -2 3 382.463 2.975 20 0 GFADHL CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000814194676 660074292 /nfs/dbraw/zinc/07/42/92/660074292.db2.gz ZQGYBLFPYYABGM-KYZUINATSA-N -2 3 380.260 2.987 20 0 GFADHL C[C@H]1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)C[C@H](C)O1 ZINC000844895183 661446667 /nfs/dbraw/zinc/44/66/67/661446667.db2.gz IHLJWDHMJIHYLB-YUMQZZPRSA-N -2 3 382.265 2.926 20 0 GFADHL CSc1ccccc1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852734456 661872644 /nfs/dbraw/zinc/87/26/44/661872644.db2.gz BIBVYMWIBJCTBB-DGCLKSJQSA-N -2 3 376.400 2.505 20 0 GFADHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000853070166 661880597 /nfs/dbraw/zinc/88/05/97/661880597.db2.gz VFLPYGDENHDPJH-QMMMGPOBSA-N -2 3 380.647 2.554 20 0 GFADHL COc1cnc([C@@H]2CCCN2C(=O)c2cc(Br)ccc2[O-])[n-]c1=O ZINC000889794954 663267498 /nfs/dbraw/zinc/26/74/98/663267498.db2.gz SPRGFFNXEOXJTD-NSHDSACASA-N -2 3 394.225 2.636 20 0 GFADHL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-])OCCCO2 ZINC000550106246 450598969 /nfs/dbraw/zinc/59/89/69/450598969.db2.gz JMKBLIQIIQGICX-UHFFFAOYSA-N -3 3 399.808 2.706 20 0 GFADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000129989308 551360532 /nfs/dbraw/zinc/36/05/32/551360532.db2.gz FCCLEZIVZGTTIF-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000129989308 551360533 /nfs/dbraw/zinc/36/05/33/551360533.db2.gz FCCLEZIVZGTTIF-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000185986948 552376283 /nfs/dbraw/zinc/37/62/83/552376283.db2.gz LFBDIJLRFMYIAI-LLVKDONJSA-N -2 3 377.340 2.911 20 0 GFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000185986928 552376492 /nfs/dbraw/zinc/37/64/92/552376492.db2.gz LFBDIJLRFMYIAI-NSHDSACASA-N -2 3 377.340 2.911 20 0 GFADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000263134895 553182918 /nfs/dbraw/zinc/18/29/18/553182918.db2.gz NLYLUJIVLAXMTH-UHFFFAOYSA-N -2 3 383.800 2.863 20 0 GFADHL Cc1cc(C)cc([C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C(=O)[O-])c1 ZINC000547609986 564502482 /nfs/dbraw/zinc/50/24/82/564502482.db2.gz ULPAMWVFFWZITB-CYBMUJFWSA-N -2 3 388.239 2.763 20 0 GFADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1)OC ZINC000421165783 563299318 /nfs/dbraw/zinc/29/93/18/563299318.db2.gz NQYIYPVHFDOZRO-JTQLQIEISA-N -2 3 380.260 2.622 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)cc1C(=O)[O-] ZINC000318105787 563443462 /nfs/dbraw/zinc/44/34/62/563443462.db2.gz BAPCYZYZEHHRJM-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)s1 ZINC000373766552 563350657 /nfs/dbraw/zinc/35/06/57/563350657.db2.gz NFWWXARUBXDFGI-MJHDQNEOSA-N -2 3 387.429 2.878 20 0 GFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000314431626 563439073 /nfs/dbraw/zinc/43/90/73/563439073.db2.gz GKQVLQLPJKOLLO-LLVKDONJSA-N -2 3 394.287 2.770 20 0 GFADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000323743549 563451667 /nfs/dbraw/zinc/45/16/67/563451667.db2.gz QOCTVKFZTALJSX-SSDOTTSWSA-N -2 3 377.743 2.801 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000324820596 563452774 /nfs/dbraw/zinc/45/27/74/563452774.db2.gz XSQQCISDQKDSCE-ZDUSSCGKSA-N -2 3 390.244 2.673 20 0 GFADHL CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000327927137 563459884 /nfs/dbraw/zinc/45/98/84/563459884.db2.gz NLOVUBCEPLGPQU-UHFFFAOYSA-N -2 3 382.825 2.507 20 0 GFADHL Cc1ccoc1C[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000427250225 563463283 /nfs/dbraw/zinc/46/32/83/563463283.db2.gz QNVBJBWCMDTDFR-UHFFFAOYSA-N -2 3 387.841 2.964 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)[C@H]1OCCc2sccc21 ZINC000427248695 563463517 /nfs/dbraw/zinc/46/35/17/563463517.db2.gz HKZJMQUXDHBUNX-RFAUZJTJSA-N -2 3 385.438 2.566 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cncc(Br)c2)CCCCC1 ZINC000387149998 563519879 /nfs/dbraw/zinc/51/98/79/563519879.db2.gz OCAICKBEXOUQQD-UHFFFAOYSA-N -2 3 391.287 2.548 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c(Br)c1 ZINC000389868169 563522696 /nfs/dbraw/zinc/52/26/96/563522696.db2.gz ZFGWNDVUWFWCJQ-SECBINFHSA-N -2 3 398.225 2.861 20 0 GFADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(Br)cc1O ZINC000436579389 563674485 /nfs/dbraw/zinc/67/44/85/563674485.db2.gz UPKYRHHCLZWSLJ-ONEGZZNKSA-N -2 3 395.209 2.765 20 0 GFADHL O=C(CSc1n[n-]c(=S)s1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000366324671 563805398 /nfs/dbraw/zinc/80/53/98/563805398.db2.gz OBTFLTGKTLBQCL-UHFFFAOYSA-N -2 3 395.531 2.746 20 0 GFADHL CC(C)(C)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416637662 563856744 /nfs/dbraw/zinc/85/67/44/563856744.db2.gz UTCABSXJUXOCTJ-GXTWGEPZSA-N -2 3 392.518 2.690 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CCOC2(CCC2)C1 ZINC000368800294 563879445 /nfs/dbraw/zinc/87/94/45/563879445.db2.gz MZFZTNXVOXHNEX-HZMBPMFUSA-N -2 3 391.848 2.560 20 0 GFADHL O=C([O-])c1c[nH]c(=O)c2cc([N-]S(=O)(=O)CCc3cccs3)ccc12 ZINC000564550388 564238445 /nfs/dbraw/zinc/23/84/45/564238445.db2.gz QHLMWBGBWJTKOA-UHFFFAOYSA-N -2 3 378.431 2.685 20 0 GFADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000564809062 564249713 /nfs/dbraw/zinc/24/97/13/564249713.db2.gz LBJDJXSVAGWVOY-JTQLQIEISA-N -2 3 383.800 2.863 20 0 GFADHL CCC1CCC([N-]S(=O)(=O)c2cnccc2C(F)(F)F)(C(=O)[O-])CC1 ZINC000564921863 564257493 /nfs/dbraw/zinc/25/74/93/564257493.db2.gz TXECKOWRCRDTBM-UHFFFAOYSA-N -2 3 380.388 2.802 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br)C(=O)[O-] ZINC000540983656 564262269 /nfs/dbraw/zinc/26/22/69/564262269.db2.gz JWBRLWDZQKHARF-QMMMGPOBSA-N -2 3 390.177 2.609 20 0 GFADHL CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)nc1C ZINC000565280528 564273743 /nfs/dbraw/zinc/27/37/43/564273743.db2.gz SXKHRPGYZATOFT-CYBMUJFWSA-N -2 3 392.264 2.622 20 0 GFADHL C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000565772778 564295023 /nfs/dbraw/zinc/29/50/23/564295023.db2.gz QEYOURGYNJSXAO-SECBINFHSA-N -2 3 377.340 2.906 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)s1 ZINC000541930448 564295333 /nfs/dbraw/zinc/29/53/33/564295333.db2.gz AJQQGNHHAPMNMU-QGZVFWFLSA-N -2 3 380.491 2.781 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000541933823 564295342 /nfs/dbraw/zinc/29/53/42/564295342.db2.gz AZVQCFULPPQLBT-UHFFFAOYSA-N -2 3 381.303 2.923 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000566007700 564305664 /nfs/dbraw/zinc/30/56/64/564305664.db2.gz ODBVJRFNSPOLHU-GWCFXTLKSA-N -2 3 391.511 2.575 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000566851102 564346919 /nfs/dbraw/zinc/34/69/19/564346919.db2.gz KOGJWCRIXFQIKP-KCJUWKMLSA-N -2 3 387.351 2.748 20 0 GFADHL CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000567792848 564389017 /nfs/dbraw/zinc/38/90/17/564389017.db2.gz SAIWSCUHYPPZDP-UHFFFAOYSA-N -2 3 386.857 2.938 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)C(F)(F)F ZINC000568542333 564423197 /nfs/dbraw/zinc/42/31/97/564423197.db2.gz WVRAKWVVDKWZJL-SSDOTTSWSA-N -2 3 395.277 2.517 20 0 GFADHL O=C(Cc1ccc(Br)cc1[O-])Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000513583790 564433147 /nfs/dbraw/zinc/43/31/47/564433147.db2.gz LEOMNUDFYVCUQG-UHFFFAOYSA-N -2 3 389.209 2.827 20 0 GFADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1C(=O)[O-] ZINC000479254304 564433775 /nfs/dbraw/zinc/43/37/75/564433775.db2.gz SYJSYODYJMTQBE-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL COc1ccsc1C(=O)[N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000513728612 564436765 /nfs/dbraw/zinc/43/67/65/564436765.db2.gz BAYKGAWEBIEZSI-UHFFFAOYSA-N -2 3 396.475 2.661 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1C(F)(F)F ZINC000568939404 564441739 /nfs/dbraw/zinc/44/17/39/564441739.db2.gz UAHJLVUQSUQIEP-UHFFFAOYSA-N -2 3 395.277 2.724 20 0 GFADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000570088863 564490832 /nfs/dbraw/zinc/49/08/32/564490832.db2.gz RDRREBRKDMQPRE-MEDUHNTESA-N -2 3 393.889 2.675 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C1CCC1 ZINC000547589610 564499360 /nfs/dbraw/zinc/49/93/60/564499360.db2.gz UCTNLTVPWKVXKY-NSHDSACASA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1c(F)cccc1F ZINC000547610506 564502611 /nfs/dbraw/zinc/50/26/11/564502611.db2.gz UUFSKXDSTBQRKE-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000547872617 564515065 /nfs/dbraw/zinc/51/50/65/564515065.db2.gz HCMVGMWLIJTGSD-SNVBAGLBSA-N -2 3 391.873 2.542 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000547932642 564522824 /nfs/dbraw/zinc/52/28/24/564522824.db2.gz HRSRBYJZPOMFOZ-NSHDSACASA-N -2 3 398.428 2.531 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)cc1Cl ZINC000547940098 564524276 /nfs/dbraw/zinc/52/42/76/564524276.db2.gz FYFPHASLSZKVGI-UHFFFAOYSA-N -2 3 380.205 2.772 20 0 GFADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000548201656 564535600 /nfs/dbraw/zinc/53/56/00/564535600.db2.gz VXAZZJPTDZZOQB-AWEZNQCLSA-N -2 3 393.889 2.533 20 0 GFADHL CCc1noc2ncc(S(=O)(=O)[N-]c3c(Cl)cccc3C(=O)[O-])cc12 ZINC000548198944 564535966 /nfs/dbraw/zinc/53/59/66/564535966.db2.gz DPEWSQXFOQAOKV-UHFFFAOYSA-N -2 3 381.797 2.938 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)c1 ZINC000548217295 564537614 /nfs/dbraw/zinc/53/76/14/564537614.db2.gz LXNCMBAZWYHRPD-MEDUHNTESA-N -2 3 375.874 2.908 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccsc1 ZINC000548266369 564545803 /nfs/dbraw/zinc/54/58/03/564545803.db2.gz WOBPXODLQSMNOJ-CYBMUJFWSA-N -2 3 380.472 2.976 20 0 GFADHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000548542060 564557922 /nfs/dbraw/zinc/55/79/22/564557922.db2.gz HMDHOTZNADZUAC-VIFPVBQESA-N -2 3 382.301 2.822 20 0 GFADHL O=C([O-])[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000548557320 564560171 /nfs/dbraw/zinc/56/01/71/564560171.db2.gz XEBSETSKGLYWDR-SECBINFHSA-N -2 3 391.829 2.545 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)sc1Br ZINC000519348486 564575231 /nfs/dbraw/zinc/57/52/31/564575231.db2.gz UCJCZNVEWAGTRA-OIBJUYFYSA-N -2 3 382.301 2.597 20 0 GFADHL Cc1cc(Br)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000486104159 564639174 /nfs/dbraw/zinc/63/91/74/564639174.db2.gz ARDCAQHXEPLTMR-UHFFFAOYSA-N -3 3 386.223 2.962 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1C(=O)[O-] ZINC000523729167 564671723 /nfs/dbraw/zinc/67/17/23/564671723.db2.gz GPXNMDIBFOGXDG-XMMPIXPASA-N -2 3 381.475 2.681 20 0 GFADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-])C1CC1 ZINC000554430821 564760398 /nfs/dbraw/zinc/76/03/98/564760398.db2.gz SKPBAQLCGCRIIP-RDDDGLTNSA-N -2 3 385.335 2.502 20 0 GFADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000581660641 564812712 /nfs/dbraw/zinc/81/27/12/564812712.db2.gz JGBDQTUOLZNYDK-VHSXEESVSA-N -2 3 383.388 2.985 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(F)F ZINC000582929818 564868403 /nfs/dbraw/zinc/86/84/03/564868403.db2.gz NTNZEUVAQRWITF-LURJTMIESA-N -2 3 395.733 2.993 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000530338125 564876854 /nfs/dbraw/zinc/87/68/54/564876854.db2.gz WBYNRUUPHBYRMF-GFCCVEGCSA-N -2 3 384.410 2.749 20 0 GFADHL O=C([O-])CSCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000530338330 564876980 /nfs/dbraw/zinc/87/69/80/564876980.db2.gz DOEPBGYORTYLMZ-UHFFFAOYSA-N -2 3 393.914 2.615 20 0 GFADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-])C1CC1 ZINC000558686657 564911625 /nfs/dbraw/zinc/91/16/25/564911625.db2.gz VNRFKKMUOISCAT-JVXZTZIISA-N -2 3 396.690 2.880 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])s1 ZINC000584051012 564918096 /nfs/dbraw/zinc/91/80/96/564918096.db2.gz CGPGMDRALZZUOS-DZGCQCFKSA-N -2 3 380.491 2.693 20 0 GFADHL CCn1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2Cl)cc1C(=O)[O-] ZINC000533144117 564956323 /nfs/dbraw/zinc/95/63/23/564956323.db2.gz CQVNBVPOTVLZBI-UHFFFAOYSA-N -2 3 385.829 2.619 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCC1 ZINC000560416822 564960953 /nfs/dbraw/zinc/96/09/53/564960953.db2.gz OEQMWCWTIVCLMV-UHFFFAOYSA-N -2 3 386.882 2.997 20 0 GFADHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-])C1CC1 ZINC000584666896 565090663 /nfs/dbraw/zinc/09/06/63/565090663.db2.gz NYIJTXUODPNTNC-MADCSZMMSA-N -2 3 396.690 2.880 20 0 GFADHL C[C@@H](CSCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000592447887 565276667 /nfs/dbraw/zinc/27/66/67/565276667.db2.gz HEUHVINGDSBJAB-QMMMGPOBSA-N -2 3 389.392 2.577 20 0 GFADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCC1 ZINC000663153098 565397458 /nfs/dbraw/zinc/39/74/58/565397458.db2.gz YPDHBADLYDNSOL-LBPRGKRZSA-N -2 3 393.237 2.521 20 0 GFADHL CC(C)c1nc(S(=O)(=O)[N-]Cc2c(C(=O)[O-])sc3ccsc32)c[nH]1 ZINC000646023586 565582850 /nfs/dbraw/zinc/58/28/50/565582850.db2.gz FGPDMSFXZOUEFV-UHFFFAOYSA-N -2 3 385.492 2.986 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2ccncc2)C(=O)[O-])c1Cl ZINC000647928913 565685129 /nfs/dbraw/zinc/68/51/29/565685129.db2.gz YLWITBKJYLMCON-GFCCVEGCSA-N -2 3 389.260 2.671 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)CC1CC1 ZINC000650430535 565819892 /nfs/dbraw/zinc/81/98/92/565819892.db2.gz QFXMVNNPNUMKER-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000650426526 565819900 /nfs/dbraw/zinc/81/99/00/565819900.db2.gz MNTWQMPDEDCPNP-SSDOTTSWSA-N -2 3 382.663 2.634 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000650427417 565820447 /nfs/dbraw/zinc/82/04/47/565820447.db2.gz IUZFSGMNYVWHQM-SSDOTTSWSA-N -2 3 382.663 2.634 20 0 GFADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])c2cc(F)ccc2O1 ZINC000650443544 565821988 /nfs/dbraw/zinc/82/19/88/565821988.db2.gz GADLQTLJLVJTMV-SNVBAGLBSA-N -2 3 386.426 2.561 20 0 GFADHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)[O-])C1CC1 ZINC000629288875 565836013 /nfs/dbraw/zinc/83/60/13/565836013.db2.gz LMSQVTUBMLEPGU-ZDUSSCGKSA-N -2 3 392.271 2.704 20 0 GFADHL CCO[C@@H](CS(=O)(=O)[N-]c1cc(OC)c(C(=O)[O-])cc1Cl)C1CC1 ZINC000629292315 565836650 /nfs/dbraw/zinc/83/66/50/565836650.db2.gz IBEQNAUPYIMFPP-AWEZNQCLSA-N -2 3 377.846 2.604 20 0 GFADHL CCO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000629289229 565836692 /nfs/dbraw/zinc/83/66/92/565836692.db2.gz OBBQCKZLLOXJHS-CYBMUJFWSA-N -2 3 381.372 2.960 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(F)c(Br)cc1C)C(=O)[O-] ZINC000629296177 565837280 /nfs/dbraw/zinc/83/72/80/565837280.db2.gz FMAZFPFDLKAEFC-CYBMUJFWSA-N -2 3 382.251 2.676 20 0 GFADHL Cc1c(Br)cc([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)cc1C(=O)[O-] ZINC000629302485 565839716 /nfs/dbraw/zinc/83/97/16/565839716.db2.gz HGXKLSCSYMJZRY-SNVBAGLBSA-N -2 3 392.271 2.765 20 0 GFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000629303233 565839858 /nfs/dbraw/zinc/83/98/58/565839858.db2.gz JGZXKJJLLVNYIH-VIFPVBQESA-N -2 3 385.360 2.516 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CCC(=O)[O-] ZINC000656510945 566129935 /nfs/dbraw/zinc/12/99/35/566129935.db2.gz MOKLHXBUQYFUSY-SNVBAGLBSA-N -2 3 394.287 2.770 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC000656512127 566130328 /nfs/dbraw/zinc/13/03/28/566130328.db2.gz GGJYKFYDLAUULD-GFCCVEGCSA-N -2 3 384.679 2.882 20 0 GFADHL CC[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000656719399 566157845 /nfs/dbraw/zinc/15/78/45/566157845.db2.gz WZGLGNKTTUNPMI-LBPRGKRZSA-N -2 3 387.454 2.894 20 0 GFADHL COc1cccc(C[C@@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C(=O)[O-])c1 ZINC000682697816 566167885 /nfs/dbraw/zinc/16/78/85/566167885.db2.gz GGSMCIOHDCECLA-GFCCVEGCSA-N -2 3 389.882 2.693 20 0 GFADHL CCCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736493908 598840861 /nfs/dbraw/zinc/84/08/61/598840861.db2.gz YAPKSUPHGKQPON-UHFFFAOYSA-N -2 3 377.401 2.595 20 0 GFADHL CCCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736493908 598840862 /nfs/dbraw/zinc/84/08/62/598840862.db2.gz YAPKSUPHGKQPON-UHFFFAOYSA-N -2 3 377.401 2.595 20 0 GFADHL O=S(=O)([N-]c1nc(C2CC2)cs1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738339976 598891706 /nfs/dbraw/zinc/89/17/06/598891706.db2.gz RVKOEYBUUAOFGG-UHFFFAOYSA-N -2 3 382.858 2.655 20 0 GFADHL O=S(=O)([N-]c1nc(C2CC2)cs1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000738339976 598891708 /nfs/dbraw/zinc/89/17/08/598891708.db2.gz RVKOEYBUUAOFGG-UHFFFAOYSA-N -2 3 382.858 2.655 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000737226007 598947684 /nfs/dbraw/zinc/94/76/84/598947684.db2.gz XRFYKRMQJBPBKZ-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000737226007 598947685 /nfs/dbraw/zinc/94/76/85/598947685.db2.gz XRFYKRMQJBPBKZ-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737511159 599018930 /nfs/dbraw/zinc/01/89/30/599018930.db2.gz WTJDQCZXJNUTFG-UHFFFAOYSA-N -2 3 395.876 2.715 20 0 GFADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737511159 599018932 /nfs/dbraw/zinc/01/89/32/599018932.db2.gz WTJDQCZXJNUTFG-UHFFFAOYSA-N -2 3 395.876 2.715 20 0 GFADHL O=S(=O)([N-]c1ccc(Oc2ccccc2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738342805 598607940 /nfs/dbraw/zinc/60/79/40/598607940.db2.gz QPEBVWUPGXUBTN-UHFFFAOYSA-N -2 3 394.416 2.855 20 0 GFADHL CC(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735708163 598726836 /nfs/dbraw/zinc/72/68/36/598726836.db2.gz KOBUSNBAHPGCSJ-KRWDZBQOSA-N -2 3 399.476 2.502 20 0 GFADHL CC(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735708163 598726838 /nfs/dbraw/zinc/72/68/38/598726838.db2.gz KOBUSNBAHPGCSJ-KRWDZBQOSA-N -2 3 399.476 2.502 20 0 GFADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737437664 599560881 /nfs/dbraw/zinc/56/08/81/599560881.db2.gz ZJBRYVWYVWWIIN-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000737437664 599560882 /nfs/dbraw/zinc/56/08/82/599560882.db2.gz ZJBRYVWYVWWIIN-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL O=C([O-])CCSCc1cccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000739753455 599810564 /nfs/dbraw/zinc/81/05/64/599810564.db2.gz JTHYASWVSFNPAS-UHFFFAOYSA-N -2 3 384.413 2.530 20 0 GFADHL O=C([O-])c1cc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)c(F)cc1F ZINC000740087415 599813750 /nfs/dbraw/zinc/81/37/50/599813750.db2.gz BXTHNQWRJAOMSU-UHFFFAOYSA-N -2 3 397.327 2.973 20 0 GFADHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000738201762 599847733 /nfs/dbraw/zinc/84/77/33/599847733.db2.gz VMTTWNBURFTRDK-MRXNPFEDSA-N -2 3 389.477 2.786 20 0 GFADHL COc1cccc(C2(C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CCCC2)c1 ZINC000567798564 599868654 /nfs/dbraw/zinc/86/86/54/599868654.db2.gz RTHZVUPTZKHJIA-UHFFFAOYSA-N -2 3 379.434 2.777 20 0 GFADHL Cc1nc(C)c(CCC(=O)NCc2c3ccccc3sc2C(=O)[O-])c(=O)[n-]1 ZINC000738847137 599872717 /nfs/dbraw/zinc/87/27/17/599872717.db2.gz KRJANUAFTOZDMN-UHFFFAOYSA-N -2 3 385.445 2.961 20 0 GFADHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000738201704 599881237 /nfs/dbraw/zinc/88/12/37/599881237.db2.gz UWXLZCRPUKFNCN-OAHLLOKOSA-N -2 3 399.428 2.630 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)[O-])cc1C ZINC000642315675 600021873 /nfs/dbraw/zinc/02/18/73/600021873.db2.gz JLQLUDZGZNHEBP-UHFFFAOYSA-N -2 3 395.433 2.910 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000738277278 600179398 /nfs/dbraw/zinc/17/93/98/600179398.db2.gz JPNANNHOJYHLGL-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL O=C([O-])Cc1nc([N-]C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)n[nH]1 ZINC000739899552 600181090 /nfs/dbraw/zinc/18/10/90/600181090.db2.gz QZSDNFSKKGATIP-UHFFFAOYSA-N -2 3 397.338 2.826 20 0 GFADHL O=C([O-])c1ccc(NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000739344538 600390058 /nfs/dbraw/zinc/39/00/58/600390058.db2.gz BHVIWFCKNYARRS-UHFFFAOYSA-N -2 3 378.384 2.767 20 0 GFADHL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000466247578 600395799 /nfs/dbraw/zinc/39/57/99/600395799.db2.gz DAZTXWAOUUNBNC-UHFFFAOYSA-N -2 3 377.418 2.600 20 0 GFADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3nccn3c2)c1 ZINC000740068770 600513140 /nfs/dbraw/zinc/51/31/40/600513140.db2.gz KVGDYILZQSHJCW-UHFFFAOYSA-N -2 3 396.222 2.596 20 0 GFADHL Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000738985581 600537375 /nfs/dbraw/zinc/53/73/75/600537375.db2.gz CBRDDKSTSVJELS-UHFFFAOYSA-N -2 3 396.190 2.954 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c(F)cc1Br ZINC000740087780 600634129 /nfs/dbraw/zinc/63/41/29/600634129.db2.gz ODAHUBWMKHGLSO-SECBINFHSA-N -2 3 392.246 2.921 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000057124272 600812109 /nfs/dbraw/zinc/81/21/09/600812109.db2.gz LIHAPRBMRRAXJE-UHFFFAOYSA-N -2 3 383.397 2.658 20 0 GFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1 ZINC000738688069 600897081 /nfs/dbraw/zinc/89/70/81/600897081.db2.gz ANUSAOKCKNWCFY-UHFFFAOYSA-N -2 3 378.475 2.739 20 0 GFADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738997216 600910528 /nfs/dbraw/zinc/91/05/28/600910528.db2.gz VQKIPLORTSTXOT-GFCCVEGCSA-N -2 3 392.415 2.770 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2Cl)c(Br)c1 ZINC000037463981 600977998 /nfs/dbraw/zinc/97/79/98/600977998.db2.gz WEVBEVUUYHRKCV-UHFFFAOYSA-N -2 3 391.630 2.997 20 0 GFADHL CC(C)c1ccc(C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c([O-])c1 ZINC000827117789 601122662 /nfs/dbraw/zinc/12/26/62/601122662.db2.gz JMKCWKYFZKPUFC-CQSZACIVSA-N -2 3 388.445 2.811 20 0 GFADHL CC(C)c1nc(C2([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)CCCC2)no1 ZINC000827144097 601227588 /nfs/dbraw/zinc/22/75/88/601227588.db2.gz BWRMGIPDEWZIOP-UHFFFAOYSA-N -2 3 397.428 2.778 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1c(F)cccc1F ZINC000326863295 601231129 /nfs/dbraw/zinc/23/11/29/601231129.db2.gz VMZDSICUHDGGOZ-SSDOTTSWSA-N -2 3 377.315 2.981 20 0 GFADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)no1 ZINC000832993806 601233402 /nfs/dbraw/zinc/23/34/02/601233402.db2.gz FKFTVZMLYXXBDI-UHFFFAOYSA-N -2 3 394.236 2.597 20 0 GFADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C12CCCC2 ZINC000829931369 601239682 /nfs/dbraw/zinc/23/96/82/601239682.db2.gz NTNAOQUBFTVCML-QWHCGFSZSA-N -2 3 389.420 2.679 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(F)c1 ZINC000749144678 601485807 /nfs/dbraw/zinc/48/58/07/601485807.db2.gz SPIVJCHJOPTQJB-UHFFFAOYSA-N -3 3 391.735 2.815 20 0 GFADHL COC(=O)c1cc(C)nc2nc(SCc3ccc(C(=O)[O-])s3)[n-]c(=O)c21 ZINC000831248806 601893478 /nfs/dbraw/zinc/89/34/78/601893478.db2.gz RKLDVMLTJAYNHE-UHFFFAOYSA-N -2 3 391.430 2.877 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](N(C)C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740210513 602006453 /nfs/dbraw/zinc/00/64/53/602006453.db2.gz USTCSGYPIGRUCT-OAHLLOKOSA-N -2 3 385.424 2.764 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCc3occc32)c(Br)o1 ZINC000833303123 602143254 /nfs/dbraw/zinc/14/32/54/602143254.db2.gz JHLFKELSZQCRJJ-QMMMGPOBSA-N -2 3 390.211 2.689 20 0 GFADHL CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000235151554 602156342 /nfs/dbraw/zinc/15/63/42/602156342.db2.gz FGAGSWZVKSLKGX-SFYZADRCSA-N -2 3 398.300 2.693 20 0 GFADHL O=C([O-])NCc1ccc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)o1 ZINC000832709879 602877285 /nfs/dbraw/zinc/87/72/85/602877285.db2.gz AETMIBYWPHMHPH-UHFFFAOYSA-N -2 3 376.369 2.881 20 0 GFADHL O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000740516545 602992135 /nfs/dbraw/zinc/99/21/35/602992135.db2.gz KZRRRPIVGGWFTF-HIFRSBDPSA-N -2 3 388.497 2.815 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000830420827 603401504 /nfs/dbraw/zinc/40/15/04/603401504.db2.gz DYVZIXTYRLUELI-LLVKDONJSA-N -3 3 378.406 2.823 20 0 GFADHL CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3[C@H](C)OC(C)(C)N3C(=O)[O-])nc2)n1 ZINC000827557003 604017300 /nfs/dbraw/zinc/01/73/00/604017300.db2.gz OXFZGUCTFATJTD-FZMZJTMJSA-N -2 3 387.440 2.722 20 0 GFADHL Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832932517 604772481 /nfs/dbraw/zinc/77/24/81/604772481.db2.gz NAKDCTGJIFPCDH-UHFFFAOYSA-N -2 3 381.479 2.546 20 0 GFADHL O=C([O-])N1CCC2(C[C@H]2C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000834047274 605955703 /nfs/dbraw/zinc/95/57/03/605955703.db2.gz AICCNBDCQQTVHM-NSHDSACASA-N -2 3 383.242 2.551 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000821308943 606598558 /nfs/dbraw/zinc/59/85/58/606598558.db2.gz IDZRLASVKLQQQS-UHFFFAOYSA-N -2 3 376.417 2.547 20 0 GFADHL CSCc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821970798 606866319 /nfs/dbraw/zinc/86/63/19/606866319.db2.gz SEZZCTSJSMQRTP-UHFFFAOYSA-N -2 3 397.432 2.809 20 0 GFADHL CSCc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821970798 606866321 /nfs/dbraw/zinc/86/63/21/606866321.db2.gz SEZZCTSJSMQRTP-UHFFFAOYSA-N -2 3 397.432 2.809 20 0 GFADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821394963 607034631 /nfs/dbraw/zinc/03/46/31/607034631.db2.gz QVUBMROZJZVCQM-UHFFFAOYSA-N -2 3 379.829 2.720 20 0 GFADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821394963 607034632 /nfs/dbraw/zinc/03/46/32/607034632.db2.gz QVUBMROZJZVCQM-UHFFFAOYSA-N -2 3 379.829 2.720 20 0 GFADHL O=S(=O)([N-]c1scnc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493493 608309408 /nfs/dbraw/zinc/30/94/08/608309408.db2.gz NBNPUKNXFFVKCO-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL O=S(=O)([N-]c1scnc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493493 608309410 /nfs/dbraw/zinc/30/94/10/608309410.db2.gz NBNPUKNXFFVKCO-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)ccc2s1 ZINC000826328849 609276543 /nfs/dbraw/zinc/27/65/43/609276543.db2.gz HDADJZNNZKIGMW-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)ccc2s1 ZINC000826328849 609276544 /nfs/dbraw/zinc/27/65/44/609276544.db2.gz HDADJZNNZKIGMW-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000824025234 609522966 /nfs/dbraw/zinc/52/29/66/609522966.db2.gz XXUMMJGMKNXDHK-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000824025234 609522967 /nfs/dbraw/zinc/52/29/67/609522967.db2.gz XXUMMJGMKNXDHK-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)c(Cl)cc1F ZINC000826272543 660452590 /nfs/dbraw/zinc/45/25/90/660452590.db2.gz OYSVWMYKIAIYQM-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2)o1 ZINC000833324651 660807238 /nfs/dbraw/zinc/80/72/38/660807238.db2.gz JDXXHKHSJFAAIW-NSHDSACASA-N -2 3 384.841 2.579 20 0 GFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000031665306 654597654 /nfs/dbraw/zinc/59/76/54/654597654.db2.gz ARJABMKYIYQQNA-UHFFFAOYSA-N -2 3 386.223 2.962 20 0 GFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837287160 660982223 /nfs/dbraw/zinc/98/22/23/660982223.db2.gz BENUEXXZNXFTPF-SECBINFHSA-N -2 3 399.694 2.665 20 0 GFADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cccc(I)c1 ZINC000131411664 654905861 /nfs/dbraw/zinc/90/58/61/654905861.db2.gz YDUKEKYOKCRMGR-UHFFFAOYSA-N -2 3 393.177 2.937 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)cc1C(=O)[O-] ZINC000575920294 655440008 /nfs/dbraw/zinc/44/00/08/655440008.db2.gz UBSUXZJGPFCGIC-UHFFFAOYSA-N -2 3 384.479 2.533 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)s1 ZINC000840894472 661201401 /nfs/dbraw/zinc/20/14/01/661201401.db2.gz ADRXSMBBMGCKEM-YUMQZZPRSA-N -2 3 380.285 2.533 20 0 GFADHL CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CC1 ZINC000840895017 661201871 /nfs/dbraw/zinc/20/18/71/661201871.db2.gz GYBCIPOIORFDME-WPPNPWJKSA-N -2 3 382.265 2.783 20 0 GFADHL CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761315058 656010746 /nfs/dbraw/zinc/01/07/46/656010746.db2.gz ZWQPJICNRQEDAL-QMMMGPOBSA-N -2 3 398.264 2.558 20 0 GFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000767734246 656217679 /nfs/dbraw/zinc/21/76/79/656217679.db2.gz AKYAAUVRGXJFRY-UHFFFAOYSA-N -3 3 391.735 2.815 20 0 GFADHL CSc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000797816505 659053563 /nfs/dbraw/zinc/05/35/63/659053563.db2.gz PQAQWMMTTWNOOI-UHFFFAOYSA-N -2 3 387.429 2.906 20 0 GFADHL CCSCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000800724135 659329262 /nfs/dbraw/zinc/32/92/62/659329262.db2.gz ZCZSTJWMJUZCGS-UHFFFAOYSA-N -2 3 388.330 2.630 20 0 GFADHL CSc1ccccc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852734458 661872591 /nfs/dbraw/zinc/87/25/91/661872591.db2.gz BIBVYMWIBJCTBB-WCQYABFASA-N -2 3 376.400 2.505 20 0 GFADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000853070164 661880586 /nfs/dbraw/zinc/88/05/86/661880586.db2.gz VFLPYGDENHDPJH-MRVPVSSYSA-N -2 3 380.647 2.554 20 0 GFADHL CC(C)(C)c1nsc([N-]C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)n1 ZINC000859151068 662140846 /nfs/dbraw/zinc/14/08/46/662140846.db2.gz YKGCSCOXJJPDFV-UHFFFAOYSA-N -2 3 376.360 2.859 20 0 GFADHL O=C([O-])C[C@@H](NCc1c(F)ccc(C(F)(F)F)c1Br)C(=O)[O-] ZINC000904053371 663820598 /nfs/dbraw/zinc/82/05/98/663820598.db2.gz KBCCSDQDSSGPJU-MRVPVSSYSA-N -2 3 388.111 2.625 20 0 GFADHL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000436475602 450599192 /nfs/dbraw/zinc/59/91/92/450599192.db2.gz GYJXVCUEURMFIF-UHFFFAOYSA-N -3 3 383.809 2.894 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000172897334 551689796 /nfs/dbraw/zinc/68/97/96/551689796.db2.gz VBTGQCHYJXTWMY-UHFFFAOYSA-N -2 3 394.396 2.585 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc([O-])c(Cl)c1 ZINC000182873907 552295037 /nfs/dbraw/zinc/29/50/37/552295037.db2.gz STAASWNBUPTWNC-UHFFFAOYSA-N -2 3 381.262 2.678 20 0 GFADHL CCOC(=O)c1cnc(C(C)=Cc2ccc([O-])c(Br)c2)[n-]c1=O ZINC000188022664 552431706 /nfs/dbraw/zinc/43/17/06/552431706.db2.gz IKSIQLJOXFPUSA-RMKNXTFCSA-N -2 3 379.210 2.975 20 0 GFADHL CC[C@H](C)[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236965787 553072982 /nfs/dbraw/zinc/07/29/82/553072982.db2.gz DTKQHHCRCGJIEP-RMLUDKJBSA-N -2 3 381.226 2.520 20 0 GFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000262427996 553170946 /nfs/dbraw/zinc/17/09/46/553170946.db2.gz RYUYSCOMUUCBBM-DGCLKSJQSA-N -2 3 393.889 2.675 20 0 GFADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000324172013 563451464 /nfs/dbraw/zinc/45/14/64/563451464.db2.gz QZVAMTRTRNGBAT-PELKAZGASA-N -2 3 384.281 2.929 20 0 GFADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000298833316 563368074 /nfs/dbraw/zinc/36/80/74/563368074.db2.gz ASXMDEUCCXPZCU-LURJTMIESA-N -2 3 390.177 2.609 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318559720 563443790 /nfs/dbraw/zinc/44/37/90/563443790.db2.gz NYCOZFKFUAEDBY-GXTWGEPZSA-N -2 3 394.262 2.900 20 0 GFADHL COc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000388144533 563520671 /nfs/dbraw/zinc/52/06/71/563520671.db2.gz QDWQIOIERJEDOF-UHFFFAOYSA-N -2 3 386.223 2.957 20 0 GFADHL C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000285614258 563528549 /nfs/dbraw/zinc/52/85/49/563528549.db2.gz WRQOZVVQYLLWNA-RKDXNWHRSA-N -2 3 382.265 2.643 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000399427214 563533761 /nfs/dbraw/zinc/53/37/61/563533761.db2.gz GXYLOGDFGKJUHW-UFBFGSQYSA-N -2 3 382.251 2.612 20 0 GFADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1Cl ZINC000433502432 563614624 /nfs/dbraw/zinc/61/46/24/563614624.db2.gz PMLRKMJKKLHLKA-UHFFFAOYSA-N -3 3 384.797 2.503 20 0 GFADHL CCOC(=O)C(=C([O-])CSc1nc(CC)cc(=O)[n-]1)c1nc(C)cs1 ZINC000436209647 563667823 /nfs/dbraw/zinc/66/78/23/563667823.db2.gz LCPUJHLVACVMHJ-ZDUSSCGKSA-N -2 3 381.479 2.518 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1O ZINC000436478558 563670951 /nfs/dbraw/zinc/67/09/51/563670951.db2.gz QXDWDTSQLZRKFP-UHFFFAOYSA-N -3 3 377.296 2.616 20 0 GFADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccccc1[O-] ZINC000436575762 563674528 /nfs/dbraw/zinc/67/45/28/563674528.db2.gz PAEDFCDMISUYHJ-UHFFFAOYSA-N -2 3 375.431 2.902 20 0 GFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000436661538 563676248 /nfs/dbraw/zinc/67/62/48/563676248.db2.gz CZVAMYLWPLYGNU-UHFFFAOYSA-N -2 3 392.252 2.804 20 0 GFADHL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc([O-])c(C(=O)OC)c2)s1 ZINC000437191479 563690351 /nfs/dbraw/zinc/69/03/51/563690351.db2.gz UVNGNVDRUXXOPQ-UHFFFAOYSA-N -2 3 385.467 2.735 20 0 GFADHL COC(C)(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])c(Br)cc1C ZINC000414388577 563732297 /nfs/dbraw/zinc/73/22/97/563732297.db2.gz ZFHFTPBAEDGQKE-UHFFFAOYSA-N -2 3 380.260 2.622 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1=CCCC1 ZINC000563526690 564195261 /nfs/dbraw/zinc/19/52/61/564195261.db2.gz MSNLKZUZJHUVPJ-UHFFFAOYSA-N -2 3 390.502 2.612 20 0 GFADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1F ZINC000507596759 564234221 /nfs/dbraw/zinc/23/42/21/564234221.db2.gz PAHXUPTXMCZBNO-UHFFFAOYSA-N -2 3 386.470 2.658 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ncc(C)s2)c(F)c1 ZINC000450955621 564257345 /nfs/dbraw/zinc/25/73/45/564257345.db2.gz GEVYXEKTFSJILC-UHFFFAOYSA-N -2 3 393.487 2.543 20 0 GFADHL CS(=O)(=O)[N-]c1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])ccc1F ZINC000474439251 564278936 /nfs/dbraw/zinc/27/89/36/564278936.db2.gz UEVGRRAIPIBCCC-UHFFFAOYSA-N -2 3 376.768 2.948 20 0 GFADHL COc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000566044097 564307470 /nfs/dbraw/zinc/30/74/70/564307470.db2.gz FSQZCDAQJIUAEM-AWEZNQCLSA-N -2 3 381.475 2.911 20 0 GFADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000475739798 564317144 /nfs/dbraw/zinc/31/71/44/564317144.db2.gz XCAGLGCGPKIZIR-UHFFFAOYSA-N -4 3 385.781 2.551 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1Br ZINC000476275049 564333111 /nfs/dbraw/zinc/33/31/11/564333111.db2.gz LBHYWXODOIPRBG-UHFFFAOYSA-N -2 3 398.234 2.883 20 0 GFADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)sc1C(=O)[O-] ZINC000514790220 564457576 /nfs/dbraw/zinc/45/75/76/564457576.db2.gz ZEWAWZXZZSQNQE-SSDOTTSWSA-N -2 3 395.384 2.603 20 0 GFADHL COc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000547585971 564498536 /nfs/dbraw/zinc/49/85/36/564498536.db2.gz ITWMCOZCLFVSHV-AWEZNQCLSA-N -2 3 387.816 2.982 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000547611295 564502586 /nfs/dbraw/zinc/50/25/86/564502586.db2.gz BBYNQELDDCTNEF-NEPJUHHUSA-N -2 3 390.845 2.950 20 0 GFADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC000547611920 564502759 /nfs/dbraw/zinc/50/27/59/564502759.db2.gz LTTHINWIRQXVRR-ZDUSSCGKSA-N -2 3 394.852 2.605 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1c(F)cccc1F ZINC000547933540 564522991 /nfs/dbraw/zinc/52/29/91/564522991.db2.gz NFLFUXLTJSYPHE-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000547939025 564524166 /nfs/dbraw/zinc/52/41/66/564524166.db2.gz UFAOUXXGESGRTC-GFCCVEGCSA-N -2 3 382.265 2.542 20 0 GFADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(=O)[O-] ZINC000548260279 564544293 /nfs/dbraw/zinc/54/42/93/564544293.db2.gz ALDXMQPDWHULKY-ZWNOBZJWSA-N -2 3 391.873 2.684 20 0 GFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000548260633 564544660 /nfs/dbraw/zinc/54/46/60/564544660.db2.gz KYTBNHFMIMXLAL-VIFPVBQESA-N -2 3 384.679 2.738 20 0 GFADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000548357920 564550380 /nfs/dbraw/zinc/55/03/80/564550380.db2.gz KAQJKUNUFSSEKV-IUODEOHRSA-N -2 3 396.292 2.930 20 0 GFADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000548548643 564558794 /nfs/dbraw/zinc/55/87/94/564558794.db2.gz OKUMIOFCQZICIP-UHFFFAOYSA-N -2 3 382.825 2.541 20 0 GFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)nc1C1CC1 ZINC000548552587 564559521 /nfs/dbraw/zinc/55/95/21/564559521.db2.gz UUEXCZUWCBYQSY-UHFFFAOYSA-N -2 3 384.816 2.928 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccc(Cl)c1 ZINC000548591998 564565384 /nfs/dbraw/zinc/56/53/84/564565384.db2.gz DYGMPMCRVHFLNO-NSHDSACASA-N -2 3 394.630 2.800 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])sc1Br ZINC000548619786 564567716 /nfs/dbraw/zinc/56/77/16/564567716.db2.gz QHGMSNHECQYSMK-MRVPVSSYSA-N -2 3 384.317 2.987 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000548765854 564573893 /nfs/dbraw/zinc/57/38/93/564573893.db2.gz HRDAHESCSYBMNL-LBPRGKRZSA-N -2 3 386.882 2.995 20 0 GFADHL CC1CCC([N-]S(=O)(=O)c2cc(F)ccc2Br)(C(=O)[O-])CC1 ZINC000548771006 564574668 /nfs/dbraw/zinc/57/46/68/564574668.db2.gz CBYAJHLATDUIKI-UHFFFAOYSA-N -2 3 394.262 2.900 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)c(Cl)c1Cl ZINC000548866349 564578766 /nfs/dbraw/zinc/57/87/66/564578766.db2.gz ALABSILYDBPGOF-CPFSXVBKSA-N -2 3 382.265 2.780 20 0 GFADHL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000484577650 564591029 /nfs/dbraw/zinc/59/10/29/564591029.db2.gz VDRDMZSFZVVEBN-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL COC1(CS(=O)(=O)[N-][C@H](C(=O)[O-])c2c(Cl)cccc2Cl)CCCC1 ZINC000521322847 564624489 /nfs/dbraw/zinc/62/44/89/564624489.db2.gz NNHPDRYWLPVXIZ-ZDUSSCGKSA-N -2 3 396.292 2.998 20 0 GFADHL CC(C)(C)OCC[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000573442878 564638253 /nfs/dbraw/zinc/63/82/53/564638253.db2.gz RHTLDLVKHFQOGY-NSHDSACASA-N -2 3 383.388 2.642 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cc(Br)ccc1F ZINC000486870132 564668895 /nfs/dbraw/zinc/66/88/95/564668895.db2.gz SMANHINWMHGJAN-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cc(Br)ccc1F ZINC000486870132 564668899 /nfs/dbraw/zinc/66/88/99/564668899.db2.gz SMANHINWMHGJAN-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000574765845 564688356 /nfs/dbraw/zinc/68/83/56/564688356.db2.gz NNNZJVFWWTVKMA-CMPLNLGQSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000574765846 564688413 /nfs/dbraw/zinc/68/84/13/564688413.db2.gz NNNZJVFWWTVKMA-JQWIXIFHSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])[C@H](CCSc1ccccc1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000577112706 564725236 /nfs/dbraw/zinc/72/52/36/564725236.db2.gz BRZQMIDWMMLSMU-HNNXBMFYSA-N -2 3 387.429 2.879 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000527301082 564738239 /nfs/dbraw/zinc/73/82/39/564738239.db2.gz DJJHZAUOOXWBPT-SNVBAGLBSA-N -2 3 398.359 2.714 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000578354160 564743319 /nfs/dbraw/zinc/74/33/19/564743319.db2.gz PYBDVVWUQHCOED-MRVPVSSYSA-N -2 3 390.870 2.851 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000581691898 564814822 /nfs/dbraw/zinc/81/48/22/564814822.db2.gz VKBLXXAOSXTELY-MRVPVSSYSA-N -2 3 389.779 2.670 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000556775394 564839360 /nfs/dbraw/zinc/83/93/60/564839360.db2.gz HRZCJBLJBILTBQ-UHFFFAOYSA-N -2 3 382.663 2.636 20 0 GFADHL Cc1nc(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[n-]c(=O)c1C ZINC000537414905 565058156 /nfs/dbraw/zinc/05/81/56/565058156.db2.gz WIKXXYHQKGBYQK-NSHDSACASA-N -2 3 381.479 2.534 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c[n-]1 ZINC000585730563 565107559 /nfs/dbraw/zinc/10/75/59/565107559.db2.gz YIFLPTDVAZHEFJ-UHFFFAOYSA-N -2 3 395.771 2.642 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[n-]1 ZINC000585730563 565107562 /nfs/dbraw/zinc/10/75/62/565107562.db2.gz YIFLPTDVAZHEFJ-UHFFFAOYSA-N -2 3 395.771 2.642 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c[n-]1 ZINC000618906603 565321615 /nfs/dbraw/zinc/32/16/15/565321615.db2.gz QCUCKRQSGYCJFK-UHFFFAOYSA-N -2 3 378.237 2.835 20 0 GFADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(F)(F)F ZINC000663293685 565408023 /nfs/dbraw/zinc/40/80/23/565408023.db2.gz KGBLLMNZULCZAH-SSDOTTSWSA-N -2 3 377.743 2.801 20 0 GFADHL CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663423899 565419555 /nfs/dbraw/zinc/41/95/55/565419555.db2.gz KCUJVOSHXRDGFK-MEBBXXQBSA-N -2 3 387.841 2.994 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000629297867 565838622 /nfs/dbraw/zinc/83/86/22/565838622.db2.gz WQAXCCYICWPUNY-VIFPVBQESA-N -2 3 382.251 2.818 20 0 GFADHL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000610111198 566067132 /nfs/dbraw/zinc/06/71/32/566067132.db2.gz FDFXBCZCYRAJFR-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(F)ccc1F ZINC000681568051 566113039 /nfs/dbraw/zinc/11/30/39/566113039.db2.gz RKGSXGMWJDIVCT-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000681569851 566113077 /nfs/dbraw/zinc/11/30/77/566113077.db2.gz ALACYSZLACRKIO-LLVKDONJSA-N -2 3 389.882 2.947 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000681569058 566113363 /nfs/dbraw/zinc/11/33/63/566113363.db2.gz WGBNQJUXKSMHTN-LLVKDONJSA-N -2 3 395.380 2.880 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)CC(=O)[O-] ZINC000681577414 566114497 /nfs/dbraw/zinc/11/44/97/566114497.db2.gz UBHJYWFOELWTBV-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](CC)C(=O)[O-] ZINC000656511657 566130467 /nfs/dbraw/zinc/13/04/67/566130467.db2.gz XOLBBOJBAHFBLS-JTQLQIEISA-N -2 3 394.287 2.627 20 0 GFADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC000656513279 566131644 /nfs/dbraw/zinc/13/16/44/566131644.db2.gz USLMIJUQVXLLNE-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000656719934 566158471 /nfs/dbraw/zinc/15/84/71/566158471.db2.gz RKHOWUXJKPORFW-ZDUSSCGKSA-N -2 3 381.475 2.853 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(F)c1 ZINC000682897068 566175321 /nfs/dbraw/zinc/17/53/21/566175321.db2.gz ZPEUEDGOUYHFNV-AWEZNQCLSA-N -2 3 391.779 2.731 20 0 GFADHL Cc1cccc2sc([N-]S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)nc21 ZINC000737301903 598969110 /nfs/dbraw/zinc/96/91/10/598969110.db2.gz VMEHFBXDAVLYQQ-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2OC(F)F)s1 ZINC000737370629 598548599 /nfs/dbraw/zinc/54/85/99/598548599.db2.gz VPAPCOCCVBORFT-UHFFFAOYSA-N -2 3 387.393 2.639 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)s1 ZINC000737370629 598548601 /nfs/dbraw/zinc/54/86/01/598548601.db2.gz VPAPCOCCVBORFT-UHFFFAOYSA-N -2 3 387.393 2.639 20 0 GFADHL C[C@@](NC(=O)c1ccc(O)cc1[O-])(C(=O)[O-])c1cccc(Br)c1 ZINC000736657931 599835623 /nfs/dbraw/zinc/83/56/23/599835623.db2.gz VSROKDGWOWCNBU-INIZCTEOSA-N -2 3 380.194 2.590 20 0 GFADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000740145493 600098109 /nfs/dbraw/zinc/09/81/09/600098109.db2.gz SPJIIGWGRCXWCO-UHFFFAOYSA-N -2 3 396.371 2.591 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738357251 600302884 /nfs/dbraw/zinc/30/28/84/600302884.db2.gz GSBJEFZFPKAGIN-UHFFFAOYSA-N -3 3 378.406 2.570 20 0 GFADHL COC(=O)c1cc(C)nc2nc(S[C@H](C(=O)[O-])c3ccccc3)[n-]c(=O)c21 ZINC000737654635 600379173 /nfs/dbraw/zinc/37/91/73/600379173.db2.gz VGRALARGEWPBFM-ZDUSSCGKSA-N -2 3 385.401 2.743 20 0 GFADHL C[C@@H](c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1)N1CCOCC1 ZINC000736718594 600423076 /nfs/dbraw/zinc/42/30/76/600423076.db2.gz SOJPMMNIQGHCMH-AWEZNQCLSA-N -2 3 390.461 2.579 20 0 GFADHL CC(C)Oc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(CC(=O)[O-])n3)cs2)cc1 ZINC000736486553 600535175 /nfs/dbraw/zinc/53/51/75/600535175.db2.gz YZWAHAFCMQZMOW-UHFFFAOYSA-N -2 3 387.421 2.595 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)cc1C(=O)[O-] ZINC000055674055 600542975 /nfs/dbraw/zinc/54/29/75/600542975.db2.gz OUEIDSKEMHSGCA-UHFFFAOYSA-N -2 3 392.433 2.769 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(C)c1 ZINC000055643281 600543226 /nfs/dbraw/zinc/54/32/26/600543226.db2.gz UZEQZNDNCLURLG-UHFFFAOYSA-N -2 3 395.433 2.528 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccc(C)n3)c2)cc1C(=O)[O-] ZINC000522363175 600545373 /nfs/dbraw/zinc/54/53/73/600545373.db2.gz WUZOACLBIIKYLT-UHFFFAOYSA-N -2 3 399.428 2.960 20 0 GFADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)cc2F)c1 ZINC000175022411 600635861 /nfs/dbraw/zinc/63/58/61/600635861.db2.gz KIFSQVOHWACMTQ-UHFFFAOYSA-N -2 3 389.408 2.748 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1C(=O)NC(C)C ZINC000285063067 600892420 /nfs/dbraw/zinc/89/24/20/600892420.db2.gz JPLPPFRQROLBHZ-UHFFFAOYSA-N -2 3 390.461 2.941 20 0 GFADHL CCc1cccc2c(CC[N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)c[nH]c21 ZINC000573443112 601225600 /nfs/dbraw/zinc/22/56/00/601225600.db2.gz VBBVPQIILZYOSH-UHFFFAOYSA-N -2 3 376.434 2.851 20 0 GFADHL Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832960827 601235120 /nfs/dbraw/zinc/23/51/20/601235120.db2.gz UYFYQHFDRCLLLJ-GFCCVEGCSA-N -2 3 383.372 2.692 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)c1F ZINC000833294471 601236441 /nfs/dbraw/zinc/23/64/41/601236441.db2.gz CWQLMVWGWUOXBE-NSHDSACASA-N -2 3 387.335 2.604 20 0 GFADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)on1 ZINC000273723523 601252644 /nfs/dbraw/zinc/25/26/44/601252644.db2.gz MQCAZVPNKRQJPQ-UHFFFAOYSA-N -2 3 382.438 2.764 20 0 GFADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(F)c1 ZINC000831435149 601330638 /nfs/dbraw/zinc/33/06/38/601330638.db2.gz QNQZAEOWPQADHS-UHFFFAOYSA-N -2 3 381.381 2.728 20 0 GFADHL CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000826800003 601382963 /nfs/dbraw/zinc/38/29/63/601382963.db2.gz DKIWXHLJVJKHSV-JTQLQIEISA-N -2 3 392.193 2.618 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000827759916 601385070 /nfs/dbraw/zinc/38/50/70/601385070.db2.gz CRJHJAGNUMSDEG-LBPRGKRZSA-N -2 3 393.465 2.784 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2nc(C3CCCCC3)no2)cc1C(=O)[O-] ZINC000833029031 601385372 /nfs/dbraw/zinc/38/53/72/601385372.db2.gz XQULDQOVAHHHNN-VIFPVBQESA-N -2 3 383.426 2.756 20 0 GFADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000831077828 601387731 /nfs/dbraw/zinc/38/77/31/601387731.db2.gz CMRKVGCJZFLBLR-HNNXBMFYSA-N -2 3 397.836 2.539 20 0 GFADHL Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000833031144 601721989 /nfs/dbraw/zinc/72/19/89/601721989.db2.gz GZUCNDOTVSVJBO-AWEZNQCLSA-N -2 3 389.429 2.808 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000827761047 601842611 /nfs/dbraw/zinc/84/26/11/601842611.db2.gz RQXVZHMUMVLASW-QMMMGPOBSA-N -2 3 387.845 2.758 20 0 GFADHL COc1ccc(-c2cc3[n-]c(CN4CC[C@](C)(C(=O)[O-])C4)nc(=O)c3s2)cc1 ZINC000832116075 601915289 /nfs/dbraw/zinc/91/52/89/601915289.db2.gz GNTGTRCMMZDAMU-FQEVSTJZSA-N -2 3 399.472 2.957 20 0 GFADHL CC1CCC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000063145698 602146851 /nfs/dbraw/zinc/14/68/51/602146851.db2.gz QHEANSCLWFOAIZ-UHFFFAOYSA-N -2 3 380.260 2.845 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c(Br)o1 ZINC000761287121 602150791 /nfs/dbraw/zinc/15/07/91/602150791.db2.gz YUXBHGLIDDNNMF-UHFFFAOYSA-N -2 3 399.222 2.700 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)c(Br)o1 ZINC000761306933 602158898 /nfs/dbraw/zinc/15/88/98/602158898.db2.gz GHCVXSBWPRSKMM-ZJUUUORDSA-N -2 3 392.271 2.987 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc1C(=O)[O-] ZINC000740146494 602245925 /nfs/dbraw/zinc/24/59/25/602245925.db2.gz HGGMLYIJKHHOQH-UHFFFAOYSA-N -3 3 376.390 2.535 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](NC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000740262881 602390599 /nfs/dbraw/zinc/39/05/99/602390599.db2.gz BFJFHOOULTVMMX-HNNXBMFYSA-N -2 3 381.454 2.702 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCCN(C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740209811 602881713 /nfs/dbraw/zinc/88/17/13/602881713.db2.gz RUIPSKMGCXRODM-HNNXBMFYSA-N -2 3 385.424 2.812 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@H](NC(=O)[O-])[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000740211060 603183397 /nfs/dbraw/zinc/18/33/97/603183397.db2.gz XEFGBHYTBPLFGV-ABAIWWIYSA-N -2 3 385.424 2.668 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000833733942 605240689 /nfs/dbraw/zinc/24/06/89/605240689.db2.gz WEDBJNWGKPUBGT-UHFFFAOYSA-N -3 3 389.332 2.501 20 0 GFADHL O=C([O-])C[C@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(Br)c1 ZINC000833773087 605763588 /nfs/dbraw/zinc/76/35/88/605763588.db2.gz OYJRRZGQVCMHQL-ZDUSSCGKSA-N -2 3 389.209 2.666 20 0 GFADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cc(Cl)cc(Cl)c1 ZINC000823583559 606337874 /nfs/dbraw/zinc/33/78/74/606337874.db2.gz UHBDIFKOOVFBDR-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000822266597 606622336 /nfs/dbraw/zinc/62/23/36/606622336.db2.gz DWQVVFZBHRIIJO-UHFFFAOYSA-N -2 3 395.876 2.581 20 0 GFADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000820541914 607110554 /nfs/dbraw/zinc/11/05/54/607110554.db2.gz JWOWLTNSSPSSEZ-LBPRGKRZSA-N -2 3 395.419 2.635 20 0 GFADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000820541914 607110555 /nfs/dbraw/zinc/11/05/55/607110555.db2.gz JWOWLTNSSPSSEZ-LBPRGKRZSA-N -2 3 395.419 2.635 20 0 GFADHL CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820183670 607154971 /nfs/dbraw/zinc/15/49/71/607154971.db2.gz IQUYXEBSQIOIQT-UHFFFAOYSA-N -2 3 376.467 2.563 20 0 GFADHL c1ccc(-n2[n-]nnc2=NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000826520035 608295198 /nfs/dbraw/zinc/29/51/98/608295198.db2.gz YNQLDUHCMNSMNE-UHFFFAOYSA-N -2 3 395.430 2.543 20 0 GFADHL c1ccc(-n2[n-]nnc2=NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000826520035 608295200 /nfs/dbraw/zinc/29/52/00/608295200.db2.gz YNQLDUHCMNSMNE-UHFFFAOYSA-N -2 3 395.430 2.543 20 0 GFADHL O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826492984 609512430 /nfs/dbraw/zinc/51/24/30/609512430.db2.gz NTYQOYMRJHTHCO-UHFFFAOYSA-N -2 3 385.327 2.566 20 0 GFADHL O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826492984 609512431 /nfs/dbraw/zinc/51/24/31/609512431.db2.gz NTYQOYMRJHTHCO-UHFFFAOYSA-N -2 3 385.327 2.566 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000036833130 654613796 /nfs/dbraw/zinc/61/37/96/654613796.db2.gz CZPZZMNDPFRJSL-UHFFFAOYSA-N -2 3 394.396 2.878 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(Br)s2)cc1C(=O)[O-] ZINC000038059927 654616904 /nfs/dbraw/zinc/61/69/04/654616904.db2.gz MDRUYBLEKNJWDA-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)s1 ZINC000269332603 655005872 /nfs/dbraw/zinc/00/58/72/655005872.db2.gz IMNRBBMLTAYTNK-UHFFFAOYSA-N -2 3 393.487 2.578 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000135573183 655021046 /nfs/dbraw/zinc/02/10/46/655021046.db2.gz SVDANLJNUHOXEL-PELKAZGASA-N -2 3 382.301 2.822 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000135573143 655021071 /nfs/dbraw/zinc/02/10/71/655021071.db2.gz SVDANLJNUHOXEL-UFBFGSQYSA-N -2 3 382.301 2.822 20 0 GFADHL CSc1nc(C)c(CCC(=O)Nc2nc(Br)ccc2[O-])c(=O)[n-]1 ZINC000275944581 655256279 /nfs/dbraw/zinc/25/62/79/655256279.db2.gz XWPKXZPSQISMQX-UHFFFAOYSA-N -2 3 399.270 2.647 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000324584069 655384257 /nfs/dbraw/zinc/38/42/57/655384257.db2.gz YBGMGEOIKFYWJO-ZDUSSCGKSA-N -2 3 376.818 2.560 20 0 GFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000577014756 655456179 /nfs/dbraw/zinc/45/61/79/655456179.db2.gz DQRIHTMMPVRAFL-KOLCDFICSA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1c(F)cccc1F ZINC000776586385 656763151 /nfs/dbraw/zinc/76/31/51/656763151.db2.gz CTUMVEQFTHOXAW-NSHDSACASA-N -2 3 397.186 2.771 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1C(=O)[O-] ZINC000790400563 657969196 /nfs/dbraw/zinc/96/91/96/657969196.db2.gz WXBRTGGCDLCWLM-UHFFFAOYSA-N -3 3 375.761 2.692 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(=O)[nH]1 ZINC000790405127 657970222 /nfs/dbraw/zinc/97/02/22/657970222.db2.gz URQJOHXDRJBGTO-UHFFFAOYSA-N -2 3 377.205 2.901 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1 ZINC000808095636 659876290 /nfs/dbraw/zinc/87/62/90/659876290.db2.gz MIGYYCKDHOZTJE-UHFFFAOYSA-N -2 3 389.886 2.524 20 0 GFADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)s1 ZINC000844896836 661446855 /nfs/dbraw/zinc/44/68/55/661446855.db2.gz GXSYGQOHXJIFSG-UHFFFAOYSA-N -2 3 390.870 2.544 20 0 GFADHL C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844900650 661448378 /nfs/dbraw/zinc/44/83/78/661448378.db2.gz SQYMDYLCYOSBEN-MRVPVSSYSA-N -2 3 382.265 2.785 20 0 GFADHL CSc1ccccc1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852734460 661872599 /nfs/dbraw/zinc/87/25/99/661872599.db2.gz BIBVYMWIBJCTBB-YPMHNXCESA-N -2 3 376.400 2.505 20 0 GFADHL O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[N-]OCC1CCC1 ZINC000856344947 662030532 /nfs/dbraw/zinc/03/05/32/662030532.db2.gz CPHWQIQQPXQXPH-UHFFFAOYSA-N -2 3 380.491 2.939 20 0 GFADHL C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000869311722 662641008 /nfs/dbraw/zinc/64/10/08/662641008.db2.gz CJFORTJOVRAMKR-SKDRFNHKSA-N -2 3 378.778 2.504 20 0 GFADHL CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cs1 ZINC000871871889 662738542 /nfs/dbraw/zinc/73/85/42/662738542.db2.gz PNEBIPSVAROXIJ-SSDOTTSWSA-N -2 3 376.406 2.721 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c1 ZINC000871970318 662747727 /nfs/dbraw/zinc/74/77/27/662747727.db2.gz MYUHGGQULHEORJ-NSHDSACASA-N -2 3 380.249 2.539 20 0 GFADHL CC(C)(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)CC(=O)[O-] ZINC000910820478 664228574 /nfs/dbraw/zinc/22/85/74/664228574.db2.gz BXRCJDNKDGRGJA-UHFFFAOYSA-N -2 3 381.226 2.521 20 0 GFADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)[C@H]2C[C@H]21 ZINC000926603131 664693662 /nfs/dbraw/zinc/69/36/62/664693662.db2.gz AXLGZANKUGTVKO-LOKLDPHHSA-N -2 3 383.775 2.746 20 0 GFADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc2c(c1)C(=O)[N-]C2=O ZINC000174916798 552112523 /nfs/dbraw/zinc/11/25/23/552112523.db2.gz RESRMVSRYJOHPD-UHFFFAOYSA-N -2 3 395.596 2.944 20 0 GFADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000192756520 552972847 /nfs/dbraw/zinc/97/28/47/552972847.db2.gz HCPMYYANCWLZAF-UHFFFAOYSA-N -2 3 386.470 2.951 20 0 GFADHL Cc1c(Br)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1F ZINC000193468890 552994016 /nfs/dbraw/zinc/99/40/16/552994016.db2.gz FAARLIAVYDENGI-UHFFFAOYSA-N -2 3 391.218 2.734 20 0 GFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000312833229 563436974 /nfs/dbraw/zinc/43/69/74/563436974.db2.gz JXKHMVMDTIYJAC-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1c(F)cccc1F ZINC000296881499 563306448 /nfs/dbraw/zinc/30/64/48/563306448.db2.gz HYMVEUXJBQFGPW-TVQRCGJNSA-N -2 3 383.363 2.835 20 0 GFADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000298833320 563368315 /nfs/dbraw/zinc/36/83/15/563368315.db2.gz ASXMDEUCCXPZCU-ZCFIWIBFSA-N -2 3 390.177 2.609 20 0 GFADHL CC1CCC([N-]S(=O)(=O)c2ccc(F)cc2Br)(C(=O)[O-])CC1 ZINC000314745494 563439272 /nfs/dbraw/zinc/43/92/72/563439272.db2.gz SJZVWJCAQBBSJN-UHFFFAOYSA-N -2 3 394.262 2.900 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000320367738 563446219 /nfs/dbraw/zinc/44/62/19/563446219.db2.gz NWSUFTMKRRCFOO-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000320367738 563446222 /nfs/dbraw/zinc/44/62/22/563446222.db2.gz NWSUFTMKRRCFOO-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)o1 ZINC000325625819 563453821 /nfs/dbraw/zinc/45/38/21/563453821.db2.gz UGGJPCFUTUECHK-UHFFFAOYSA-N -2 3 381.740 2.711 20 0 GFADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1cccc2cccnc21)C(F)(F)F ZINC000284918220 563494656 /nfs/dbraw/zinc/49/46/56/563494656.db2.gz BQKFZHSPSZJQEG-LLVKDONJSA-N -2 3 376.356 2.556 20 0 GFADHL Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000285459964 563522331 /nfs/dbraw/zinc/52/23/31/563522331.db2.gz NEYDEYUMKGHORS-UHFFFAOYSA-N -2 3 390.820 2.996 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC)CCC(=O)[O-] ZINC000391867052 563525368 /nfs/dbraw/zinc/52/53/68/563525368.db2.gz QVKNRMHIZHXLRB-NSHDSACASA-N -2 3 394.287 2.770 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000399427209 563533770 /nfs/dbraw/zinc/53/37/70/563533770.db2.gz GXYLOGDFGKJUHW-PELKAZGASA-N -2 3 382.251 2.612 20 0 GFADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1Cl ZINC000431177952 563555932 /nfs/dbraw/zinc/55/59/32/563555932.db2.gz BBCCCYZOSOMTRK-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL COc1ccc(NC(=O)c2cc(I)ccc2[O-])c([O-])c1 ZINC000436982490 563687423 /nfs/dbraw/zinc/68/74/23/563687423.db2.gz UOTJACAXLQFPLM-UHFFFAOYSA-N -2 3 385.157 2.963 20 0 GFADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)o1 ZINC000291859144 563762287 /nfs/dbraw/zinc/76/22/87/563762287.db2.gz GKCVLDMDPYWDOZ-UHFFFAOYSA-N -2 3 376.793 2.515 20 0 GFADHL CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000539194374 564213364 /nfs/dbraw/zinc/21/33/64/564213364.db2.gz PXGCLWQJHIKHME-UHFFFAOYSA-N -2 3 393.845 2.530 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)sc1Cl ZINC000473402280 564246096 /nfs/dbraw/zinc/24/60/96/564246096.db2.gz QMNRBNNBOISPJX-OAHLLOKOSA-N -2 3 399.881 2.565 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1nc(C(F)(F)F)cs1 ZINC000564917559 564257217 /nfs/dbraw/zinc/25/72/17/564257217.db2.gz XTAGDYKVTCQVMU-LURJTMIESA-N -2 3 384.357 2.883 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]Cc2ccsc2)c(F)c1 ZINC000451056757 564268641 /nfs/dbraw/zinc/26/86/41/564268641.db2.gz HNADXPLKKWRJOF-UHFFFAOYSA-N -2 3 392.499 2.517 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)CC)c(F)c1 ZINC000451107687 564275968 /nfs/dbraw/zinc/27/59/68/564275968.db2.gz JEEHGQKFBPAYDD-NEPJUHHUSA-N -2 3 380.507 2.690 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474432512 564278305 /nfs/dbraw/zinc/27/83/05/564278305.db2.gz QTWOHSDPHIBHNJ-QMMMGPOBSA-N -2 3 390.795 2.629 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)C2CCCC2)c(F)c1 ZINC000451197929 564286057 /nfs/dbraw/zinc/28/60/57/564286057.db2.gz ZUJYRUGMFKKZII-LBPRGKRZSA-N -2 3 392.518 2.834 20 0 GFADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCCCOc1ccc(Cl)cc1 ZINC000566180544 564314594 /nfs/dbraw/zinc/31/45/94/564314594.db2.gz OIUQJQCLQCNMOE-UHFFFAOYSA-N -2 3 390.870 2.632 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1OCCO ZINC000542984290 564334117 /nfs/dbraw/zinc/33/41/17/564334117.db2.gz JYIHKCSPSSHFAK-UHFFFAOYSA-N -2 3 385.825 2.519 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000511070057 564355884 /nfs/dbraw/zinc/35/58/84/564355884.db2.gz SHGICLXJFQEDQP-UKRRQHHQSA-N -2 3 385.438 2.784 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C(C)(C)c1ccc(F)c(F)c1 ZINC000567730783 564386322 /nfs/dbraw/zinc/38/63/22/564386322.db2.gz UMWPJHPGWZVSPL-UHFFFAOYSA-N -2 3 391.417 2.947 20 0 GFADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-])C1CC1 ZINC000568001016 564399819 /nfs/dbraw/zinc/39/98/19/564399819.db2.gz IZOPKTVXNITMKL-KRTXAFLBSA-N -2 3 396.690 2.880 20 0 GFADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)C2CC2)s1 ZINC000545549339 564427550 /nfs/dbraw/zinc/42/75/50/564427550.db2.gz DOTNLSAUEQNFJW-CQSZACIVSA-N -2 3 382.463 2.593 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CCC1 ZINC000515051699 564466804 /nfs/dbraw/zinc/46/68/04/564466804.db2.gz AOFRMTYZNGIOHQ-NSHDSACASA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)Cc1ccccc1Cl ZINC000547547789 564493347 /nfs/dbraw/zinc/49/33/47/564493347.db2.gz VMLLDELFDDCSOX-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000547573897 564496772 /nfs/dbraw/zinc/49/67/72/564496772.db2.gz DTIOUUVKBMGGIL-UHFFFAOYSA-N -2 3 381.753 2.619 20 0 GFADHL O=C([O-])[C@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000547579040 564497324 /nfs/dbraw/zinc/49/73/24/564497324.db2.gz FGBPNFCLUPJIOS-ZDUSSCGKSA-N -2 3 393.223 2.502 20 0 GFADHL Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)sc1C(=O)[O-] ZINC000547874152 564514919 /nfs/dbraw/zinc/51/49/19/564514919.db2.gz PNBMLMNFQHTWML-UHFFFAOYSA-N -2 3 395.289 2.978 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)s1 ZINC000547934238 564522745 /nfs/dbraw/zinc/52/27/45/564522745.db2.gz JRJWNKWWYAPRBK-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)(C(=O)[O-])C1(C)C ZINC000548357551 564550444 /nfs/dbraw/zinc/55/04/44/564550444.db2.gz UJGOZGXLUFKPHK-ABAIWWIYSA-N -2 3 396.292 2.930 20 0 GFADHL C[C@@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000484776606 564597705 /nfs/dbraw/zinc/59/77/05/564597705.db2.gz ATBOMHSMQIDZFF-BXUZGUMPSA-N -2 3 392.518 2.690 20 0 GFADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000572524275 564598985 /nfs/dbraw/zinc/59/89/85/564598985.db2.gz ZKNMNWHWEUYWPI-NSHDSACASA-N -2 3 382.251 2.756 20 0 GFADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(Cl)c1 ZINC000485258527 564611992 /nfs/dbraw/zinc/61/19/92/564611992.db2.gz XYNWRXUIHQGGAB-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL C[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H]1C(=O)[O-] ZINC000521610791 564631140 /nfs/dbraw/zinc/63/11/40/564631140.db2.gz SMCASMDWYHNVDQ-PSLIRLAXSA-N -2 3 393.237 2.616 20 0 GFADHL CC(C)(C)OCC[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000573442876 564638369 /nfs/dbraw/zinc/63/83/69/564638369.db2.gz RHTLDLVKHFQOGY-LLVKDONJSA-N -2 3 383.388 2.642 20 0 GFADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000574041469 564666290 /nfs/dbraw/zinc/66/62/90/564666290.db2.gz RYEKLUAMGDXQGB-JQWIXIFHSA-N -2 3 391.287 2.546 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000527301106 564738248 /nfs/dbraw/zinc/73/82/48/564738248.db2.gz HLCKRHHAFDAVSG-ZBEGNZNMSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCCCOc1ccc(Cl)cc1 ZINC000580559446 564763992 /nfs/dbraw/zinc/76/39/92/564763992.db2.gz HUZOPPHXTQKOFL-UHFFFAOYSA-N -2 3 390.870 2.632 20 0 GFADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000582521641 564850136 /nfs/dbraw/zinc/85/01/36/564850136.db2.gz UBGMAPSJOLSTGN-HZMBPMFUSA-N -2 3 380.388 2.660 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c(Cl)c1Cl ZINC000530367503 564877360 /nfs/dbraw/zinc/87/73/60/564877360.db2.gz ZADOELUKGPKCHZ-VIFPVBQESA-N -2 3 382.265 2.924 20 0 GFADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000500306234 564950463 /nfs/dbraw/zinc/95/04/63/564950463.db2.gz QUFVTRQSZYCQDU-UHFFFAOYSA-N -2 3 385.825 2.921 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)cc1Cl ZINC000561853711 565011198 /nfs/dbraw/zinc/01/11/98/565011198.db2.gz AANBIIBENWBXNJ-ZCFIWIBFSA-N -2 3 392.207 2.636 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)COc1cccc(C)c1 ZINC000584348858 565076562 /nfs/dbraw/zinc/07/65/62/565076562.db2.gz PDVZTGBGJDKVHU-NSHDSACASA-N -2 3 385.463 2.509 20 0 GFADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-] ZINC000614325713 565107243 /nfs/dbraw/zinc/10/72/43/565107243.db2.gz GMESAKCMCHIHOR-GWCFXTLKSA-N -2 3 389.857 2.820 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c[n-]1 ZINC000585730557 565108428 /nfs/dbraw/zinc/10/84/28/565108428.db2.gz XJEJZYGLXZXLPG-UHFFFAOYSA-N -2 3 382.200 2.833 20 0 GFADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1F ZINC000614780504 565132217 /nfs/dbraw/zinc/13/22/17/565132217.db2.gz JHWDSSOQWWCGCO-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL CCOC(=O)c1cc([N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)n[n-]1 ZINC000593278274 565324677 /nfs/dbraw/zinc/32/46/77/565324677.db2.gz JLRJYKSDDYCDFQ-UHFFFAOYSA-N -2 3 384.266 2.897 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CCC1 ZINC000663255245 565404407 /nfs/dbraw/zinc/40/44/07/565404407.db2.gz HKCGZTLIDMKECU-JTQLQIEISA-N -2 3 396.690 2.882 20 0 GFADHL CCc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1C(=O)[O-] ZINC000643123066 565422153 /nfs/dbraw/zinc/42/21/53/565422153.db2.gz PQHOBRPUFGCOLU-UHFFFAOYSA-N -2 3 394.396 2.901 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC[C@@H]2CSc3ccccc3O2)c1 ZINC000646057755 565585435 /nfs/dbraw/zinc/58/54/35/565585435.db2.gz MDEPHXATZCKNPY-LLVKDONJSA-N -2 3 385.488 2.668 20 0 GFADHL O=C([O-])c1cnc(C=Cc2cc(Br)c3c(c2)OCCCO3)[n-]c1=O ZINC000670370114 565720676 /nfs/dbraw/zinc/72/06/76/565720676.db2.gz ZMVQYXFCEUBIBO-NSCUHMNNSA-N -2 3 393.193 2.975 20 0 GFADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000656168770 566108913 /nfs/dbraw/zinc/10/89/13/566108913.db2.gz KYVFVZZWCNNXOA-QWRGUYRKSA-N -2 3 382.265 2.540 20 0 GFADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-])C1CC1 ZINC000656169847 566109440 /nfs/dbraw/zinc/10/94/40/566109440.db2.gz RVQWGNPZWUITDP-CHWSQXEVSA-N -2 3 382.265 2.540 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000681568528 566113792 /nfs/dbraw/zinc/11/37/92/566113792.db2.gz NXRCSFCWEZVSRW-NSHDSACASA-N -2 3 380.369 2.575 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1ccc(F)cc1F ZINC000681576243 566114414 /nfs/dbraw/zinc/11/44/14/566114414.db2.gz YNBBUWAJMOFFGU-ZDUSSCGKSA-N -2 3 376.768 2.508 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-] ZINC000656514352 566132418 /nfs/dbraw/zinc/13/24/18/566132418.db2.gz PNFHJWJSGAYYMJ-UHFFFAOYSA-N -2 3 394.287 2.770 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)cs1 ZINC000656716393 566157237 /nfs/dbraw/zinc/15/72/37/566157237.db2.gz DKICOTRMMNQXLT-NSHDSACASA-N -2 3 387.401 2.615 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000682536208 566161618 /nfs/dbraw/zinc/16/16/18/566161618.db2.gz DDMIWFCGPXYFLA-LBPRGKRZSA-N -2 3 375.874 2.908 20 0 GFADHL O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738344284 598842904 /nfs/dbraw/zinc/84/29/04/598842904.db2.gz FTGWUWODKJYFFK-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738344284 598842905 /nfs/dbraw/zinc/84/29/05/598842905.db2.gz FTGWUWODKJYFFK-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738345885 598949171 /nfs/dbraw/zinc/94/91/71/598949171.db2.gz QJBSTEMILDKXMA-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738345885 598949172 /nfs/dbraw/zinc/94/91/72/598949172.db2.gz QJBSTEMILDKXMA-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1ccc(F)cc1OCC1CC1)c1ccccc1-c1nnn[n-]1 ZINC000738342233 598951109 /nfs/dbraw/zinc/95/11/09/598951109.db2.gz PBKIBUWDPNVATQ-UHFFFAOYSA-N -2 3 389.412 2.595 20 0 GFADHL O=S(=O)([N-]c1ccc(F)cc1OCC1CC1)c1ccccc1-c1nn[n-]n1 ZINC000738342233 598951111 /nfs/dbraw/zinc/95/11/11/598951111.db2.gz PBKIBUWDPNVATQ-UHFFFAOYSA-N -2 3 389.412 2.595 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000737300574 598968693 /nfs/dbraw/zinc/96/86/93/598968693.db2.gz BWBLTPVGZALKLM-UHFFFAOYSA-N -2 3 390.494 2.701 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000737300574 598968694 /nfs/dbraw/zinc/96/86/94/598968694.db2.gz BWBLTPVGZALKLM-UHFFFAOYSA-N -2 3 390.494 2.701 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000736634139 599235810 /nfs/dbraw/zinc/23/58/10/599235810.db2.gz INWNWTWBOHBJSV-UHFFFAOYSA-N -2 3 391.428 2.822 20 0 GFADHL O=S(=O)([N-]c1cccc(SC(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC000738343417 598452293 /nfs/dbraw/zinc/45/22/93/598452293.db2.gz YVYLESCQYBIFPI-UHFFFAOYSA-N -2 3 383.405 2.982 20 0 GFADHL O=S(=O)([N-]c1cccc(SC(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000738343417 598452294 /nfs/dbraw/zinc/45/22/94/598452294.db2.gz YVYLESCQYBIFPI-UHFFFAOYSA-N -2 3 383.405 2.982 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737369208 598548746 /nfs/dbraw/zinc/54/87/46/598548746.db2.gz IECFUUKSFMKIGI-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL O=S(=O)([N-]c1ccccc1Oc1ccncc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738341711 598740482 /nfs/dbraw/zinc/74/04/82/598740482.db2.gz KJBWYJKDIYDOHJ-UHFFFAOYSA-N -2 3 394.416 2.855 20 0 GFADHL COc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000737142440 599560015 /nfs/dbraw/zinc/56/00/15/599560015.db2.gz UFIUHBNNTVCOEO-UHFFFAOYSA-N -2 3 399.354 2.695 20 0 GFADHL COc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000737142440 599560017 /nfs/dbraw/zinc/56/00/17/599560017.db2.gz UFIUHBNNTVCOEO-UHFFFAOYSA-N -2 3 399.354 2.695 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000740175655 599777385 /nfs/dbraw/zinc/77/73/85/599777385.db2.gz RKDIPRJOAQELIN-KOLCDFICSA-N -2 3 375.324 2.831 20 0 GFADHL Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)ccc1C(=O)[O-] ZINC000738448675 599916471 /nfs/dbraw/zinc/91/64/71/599916471.db2.gz LTZRKNXCQMQTGG-UHFFFAOYSA-N -2 3 394.424 2.771 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)ccc1C(=O)[O-] ZINC000476746789 599924931 /nfs/dbraw/zinc/92/49/31/599924931.db2.gz ZUZFNLZYYFLOSP-UHFFFAOYSA-N -3 3 375.402 2.681 20 0 GFADHL CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)(C)C(=O)[O-] ZINC000485380392 600171832 /nfs/dbraw/zinc/17/18/32/600171832.db2.gz HJUWSPBIGUSNSN-UHFFFAOYSA-N -2 3 394.424 2.562 20 0 GFADHL C[C@]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)(C(=O)[O-])C1CC1 ZINC000736670921 600240443 /nfs/dbraw/zinc/24/04/43/600240443.db2.gz OZFAYWOJVLMMMH-OAHLLOKOSA-N -2 3 386.882 2.995 20 0 GFADHL CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736350330 600633004 /nfs/dbraw/zinc/63/30/04/600633004.db2.gz XXPJOIVQRFZUKC-UHFFFAOYSA-N -2 3 382.251 2.999 20 0 GFADHL CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)ccc21 ZINC000299506617 600814047 /nfs/dbraw/zinc/81/40/47/600814047.db2.gz LWMQUSATGYBLRQ-UHFFFAOYSA-N -2 3 388.445 2.793 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000833026704 601223517 /nfs/dbraw/zinc/22/35/17/601223517.db2.gz ILDFWIFOLRVSJR-UHFFFAOYSA-N -2 3 395.433 2.720 20 0 GFADHL CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccco1 ZINC000737632791 601231829 /nfs/dbraw/zinc/23/18/29/601231829.db2.gz QYDMHZNXZSHBSG-OAHLLOKOSA-N -2 3 385.413 2.809 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)c1F ZINC000833295138 601234322 /nfs/dbraw/zinc/23/43/22/601234322.db2.gz LJTBNPPNWVECOG-GFCCVEGCSA-N -2 3 383.372 2.855 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)c1F ZINC000833293720 601234473 /nfs/dbraw/zinc/23/44/73/601234473.db2.gz GLHIYGSREQYHDQ-UHFFFAOYSA-N -2 3 389.351 2.550 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C2CC2)c1F ZINC000833295362 601237546 /nfs/dbraw/zinc/23/75/46/601237546.db2.gz SFLHPWYJTARGKL-AWEZNQCLSA-N -2 3 381.400 2.963 20 0 GFADHL CCc1nc(C2([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)CCCC2)no1 ZINC000579119221 601265228 /nfs/dbraw/zinc/26/52/28/601265228.db2.gz VHYHFYCMVJCETN-UHFFFAOYSA-N -2 3 399.856 2.731 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000827753754 601385030 /nfs/dbraw/zinc/38/50/30/601385030.db2.gz DXIOFZGSOVNRFQ-LLVKDONJSA-N -2 3 379.438 2.855 20 0 GFADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000831434894 601828811 /nfs/dbraw/zinc/82/88/11/601828811.db2.gz JHYPYTMUAYKREY-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826304087 607535365 /nfs/dbraw/zinc/53/53/65/607535365.db2.gz VKJJKPWAWULUEU-UHFFFAOYSA-N -2 3 399.354 2.875 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826304087 607535367 /nfs/dbraw/zinc/53/53/67/607535367.db2.gz VKJJKPWAWULUEU-UHFFFAOYSA-N -2 3 399.354 2.875 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1-c1nnn[n-]1 ZINC000826304112 607537067 /nfs/dbraw/zinc/53/70/67/607537067.db2.gz WVIDLPDNCNTJEU-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1-c1nn[n-]n1 ZINC000826304112 607537068 /nfs/dbraw/zinc/53/70/68/607537068.db2.gz WVIDLPDNCNTJEU-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2CCN(C(=O)[O-])CC2)c1Cl ZINC000740131466 601987041 /nfs/dbraw/zinc/98/70/41/601987041.db2.gz DHXWIMAYWRXHMB-UHFFFAOYSA-N -2 3 381.281 2.970 20 0 GFADHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826265559 607539413 /nfs/dbraw/zinc/53/94/13/607539413.db2.gz DYZZSLBSYRFVJU-UHFFFAOYSA-N -2 3 398.370 2.698 20 0 GFADHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826265559 607539415 /nfs/dbraw/zinc/53/94/15/607539415.db2.gz DYZZSLBSYRFVJU-UHFFFAOYSA-N -2 3 398.370 2.698 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000507569021 602112762 /nfs/dbraw/zinc/11/27/62/602112762.db2.gz PVZYGPARDIQOSM-UHFFFAOYSA-N -3 3 393.417 2.656 20 0 GFADHL O=C([O-])Nc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000740715763 602174689 /nfs/dbraw/zinc/17/46/89/602174689.db2.gz OKQLSRZLNIQAJP-UHFFFAOYSA-N -2 3 393.396 2.609 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(F)(F)F)cs1 ZINC000833302529 602213420 /nfs/dbraw/zinc/21/34/20/602213420.db2.gz MDXDQFDHXJFTEO-GFCCVEGCSA-N -2 3 379.381 2.898 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(C)c1OCC(=O)[O-] ZINC000738296007 602644945 /nfs/dbraw/zinc/64/49/45/602644945.db2.gz URCWAFAKCVDTAF-UHFFFAOYSA-N -3 3 394.405 2.658 20 0 GFADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833227306 604771865 /nfs/dbraw/zinc/77/18/65/604771865.db2.gz GCCGOUVOEGOGCA-UHFFFAOYSA-N -3 3 397.380 2.568 20 0 GFADHL C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000825324464 604772469 /nfs/dbraw/zinc/77/24/69/604772469.db2.gz ASXYNLMSJNZICL-FZKQIMNGSA-N -2 3 386.404 2.682 20 0 GFADHL CC1=C(C(=O)[O-])C[C@H](CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)O1 ZINC000833582948 604886440 /nfs/dbraw/zinc/88/64/40/604886440.db2.gz ZWCGPKVGBLSOCS-GFCCVEGCSA-N -2 3 384.417 2.761 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CN(C(=O)[O-])c3ccccc3)cc2)n1 ZINC000829894218 605668347 /nfs/dbraw/zinc/66/83/47/605668347.db2.gz ONQVLBRTQCYWDT-UHFFFAOYSA-N -2 3 378.388 2.868 20 0 GFADHL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822327300 606331370 /nfs/dbraw/zinc/33/13/70/606331370.db2.gz FQNPHVBOJAKCTQ-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822327300 606331371 /nfs/dbraw/zinc/33/13/71/606331371.db2.gz FQNPHVBOJAKCTQ-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823588982 606612004 /nfs/dbraw/zinc/61/20/04/606612004.db2.gz GRRWFRFVNHXDFQ-UHFFFAOYSA-N -2 3 398.370 2.557 20 0 GFADHL O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823588982 606612005 /nfs/dbraw/zinc/61/20/05/606612005.db2.gz GRRWFRFVNHXDFQ-UHFFFAOYSA-N -2 3 398.370 2.557 20 0 GFADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000819971837 606621035 /nfs/dbraw/zinc/62/10/35/606621035.db2.gz UCVOYEHJPKRJGP-UHFFFAOYSA-N -2 3 397.464 2.772 20 0 GFADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2ccc(C)nc21 ZINC000821765609 606633068 /nfs/dbraw/zinc/63/30/68/606633068.db2.gz HTTJHZSGJQVCGB-UHFFFAOYSA-N -2 3 396.432 2.533 20 0 GFADHL CCCOc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821139073 606864432 /nfs/dbraw/zinc/86/44/32/606864432.db2.gz NASCBVNPVKOGAK-UHFFFAOYSA-N -2 3 395.391 2.735 20 0 GFADHL CCCOc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821139073 606864433 /nfs/dbraw/zinc/86/44/33/606864433.db2.gz NASCBVNPVKOGAK-UHFFFAOYSA-N -2 3 395.391 2.735 20 0 GFADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1csc2ccc(Cl)cc21 ZINC000823588927 607026799 /nfs/dbraw/zinc/02/67/99/607026799.db2.gz FUGCHHHSGSYRLQ-UHFFFAOYSA-N -2 3 398.882 2.992 20 0 GFADHL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821128497 607112319 /nfs/dbraw/zinc/11/23/19/607112319.db2.gz VQDMETQQSYBUMX-UHFFFAOYSA-N -2 3 391.428 2.904 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc2cccnc21 ZINC000826492613 608108089 /nfs/dbraw/zinc/10/80/89/608108089.db2.gz USPABOPIFMAWBR-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826295276 609311206 /nfs/dbraw/zinc/31/12/06/609311206.db2.gz ABZYLDIKAKZXJY-UHFFFAOYSA-N -2 3 384.396 2.663 20 0 GFADHL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826295276 609311208 /nfs/dbraw/zinc/31/12/08/609311208.db2.gz ABZYLDIKAKZXJY-UHFFFAOYSA-N -2 3 384.396 2.663 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1 ZINC000826211759 660451538 /nfs/dbraw/zinc/45/15/38/660451538.db2.gz SPSYUGMVQLBONS-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nc(C(C)(C)C)ns2)o1 ZINC000068072498 654953472 /nfs/dbraw/zinc/95/34/72/654953472.db2.gz OMZKUQKLNJPHKM-UHFFFAOYSA-N -2 3 386.499 2.758 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c(Cl)cc1Cl ZINC000274950659 655208472 /nfs/dbraw/zinc/20/84/72/655208472.db2.gz HZENESXZFREJPE-MRVPVSSYSA-N -2 3 398.264 2.702 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CCc2nc(C)c(C(=O)[O-])s2)sc1Cl ZINC000276472052 655276849 /nfs/dbraw/zinc/27/68/49/655276849.db2.gz QKSLGRFLXHHUBJ-UHFFFAOYSA-N -2 3 380.900 2.694 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c(Cl)cc1F ZINC000120844774 655345215 /nfs/dbraw/zinc/34/52/15/655345215.db2.gz RLLDZDCQPADDHX-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL N#Cc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccc(Cl)cc2F)c(Cl)c1 ZINC000183080459 655349035 /nfs/dbraw/zinc/34/90/35/655349035.db2.gz YIJYFLGNSHGDAN-UHFFFAOYSA-N -2 3 388.207 2.627 20 0 GFADHL CSCC[C@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000596031977 655513838 /nfs/dbraw/zinc/51/38/38/655513838.db2.gz IMZNRBTUCNPLBA-LBPRGKRZSA-N -2 3 386.520 2.603 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CC2=CCCCC2)s1 ZINC000840892372 661200246 /nfs/dbraw/zinc/20/02/46/661200246.db2.gz YNCLLPDISZAOPH-UHFFFAOYSA-N -2 3 380.285 2.988 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2F)CCCCC1 ZINC000760117633 655969671 /nfs/dbraw/zinc/96/96/71/655969671.db2.gz NBWSNUDJPXDBEN-UHFFFAOYSA-N -2 3 380.235 2.654 20 0 GFADHL C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761263524 656005875 /nfs/dbraw/zinc/00/58/75/656005875.db2.gz OTRRGBBTBGSNOI-HZMBPMFUSA-N -2 3 377.409 2.537 20 0 GFADHL O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[N-]OCC(F)(F)F ZINC000766766126 656182834 /nfs/dbraw/zinc/18/28/34/656182834.db2.gz RQTKEIRAQFDHJP-UHFFFAOYSA-N -2 3 394.396 2.702 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(SC(=O)N(C)C)cc2)c1 ZINC000775671531 656662848 /nfs/dbraw/zinc/66/28/48/656662848.db2.gz GNVIZKFYPLYNTN-UHFFFAOYSA-N -2 3 382.463 2.975 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccs1 ZINC000776444163 656741736 /nfs/dbraw/zinc/74/17/36/656741736.db2.gz YVVRJNPTSUAMLX-ZETCQYMHSA-N -2 3 380.241 2.598 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000776571614 656760673 /nfs/dbraw/zinc/76/06/73/656760673.db2.gz SCYDECWZBYDHKF-NSHDSACASA-N -2 3 389.260 2.925 20 0 GFADHL O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000776600118 656764764 /nfs/dbraw/zinc/76/47/64/656764764.db2.gz FWOODQOQOKNKJT-LBPRGKRZSA-N -2 3 382.265 2.542 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])c(Cl)cc1Cl ZINC000776633589 656772472 /nfs/dbraw/zinc/77/24/72/656772472.db2.gz QTNRFHWHXLIFGS-QMMMGPOBSA-N -2 3 398.264 2.559 20 0 GFADHL Cc1c(Br)cccc1CS(=O)(=O)[N-]c1n[n-]c(C(F)F)n1 ZINC000903150311 663776095 /nfs/dbraw/zinc/77/60/95/663776095.db2.gz PMRHNUITDYTFQY-UHFFFAOYSA-N -2 3 381.202 2.755 20 0 GFADHL CCO[C@@H]1C[C@@](NC(=O)c2cc([O-])cc(Br)c2)(C(=O)[O-])C1(C)C ZINC000909600158 664164637 /nfs/dbraw/zinc/16/46/37/664164637.db2.gz FAVSXZBXXFWBDE-MLGOLLRUSA-N -2 3 386.242 2.543 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161830675 551599337 /nfs/dbraw/zinc/59/93/37/551599337.db2.gz JHHBEPPMLAXKGA-AAEUAGOBSA-N -2 3 380.235 2.510 20 0 GFADHL Cn1cc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)cc1C(=O)[O-] ZINC000194237771 553015566 /nfs/dbraw/zinc/01/55/66/553015566.db2.gz YTKMLIRUOAKING-UHFFFAOYSA-N -2 3 399.266 2.775 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000318149709 563443337 /nfs/dbraw/zinc/44/33/37/563443337.db2.gz WFPJZLTUWRVCCJ-OCCSQVGLSA-N -2 3 394.262 2.900 20 0 GFADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000421237464 563303150 /nfs/dbraw/zinc/30/31/50/563303150.db2.gz RGAQXSOKUKJXOE-AWEZNQCLSA-N -2 3 384.527 2.900 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(F)cc1Br ZINC000314093132 563438419 /nfs/dbraw/zinc/43/84/19/563438419.db2.gz ZSEXQRQTOZIDJB-UHFFFAOYSA-N -2 3 377.191 2.724 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000314032508 563438758 /nfs/dbraw/zinc/43/87/58/563438758.db2.gz OJGOKZNVICBVPK-RKDXNWHRSA-N -2 3 396.690 2.882 20 0 GFADHL CCC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000316044266 563440970 /nfs/dbraw/zinc/44/09/70/563440970.db2.gz LQQUTWMPZBZXBQ-JTQLQIEISA-N -2 3 394.287 2.627 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](SC)C1 ZINC000326021731 563454443 /nfs/dbraw/zinc/45/44/43/563454443.db2.gz PHNIQBWGIRPYCU-QWRGUYRKSA-N -2 3 393.914 2.999 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)sc1C(=O)[O-] ZINC000327716727 563459171 /nfs/dbraw/zinc/45/91/71/563459171.db2.gz JNJJBMBYOGAYBX-UHFFFAOYSA-N -2 3 396.368 2.527 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000394413696 563529390 /nfs/dbraw/zinc/52/93/90/563529390.db2.gz RTSMOYNDJFDISY-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CCC1 ZINC000399287512 563533585 /nfs/dbraw/zinc/53/35/85/563533585.db2.gz WEWLNNNUOWZLOE-NSHDSACASA-N -2 3 382.663 2.634 20 0 GFADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1Cl ZINC000431176588 563555916 /nfs/dbraw/zinc/55/59/16/563555916.db2.gz VAVLREPTZHIYPM-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c(Cl)cc1F ZINC000287328266 563596838 /nfs/dbraw/zinc/59/68/38/563596838.db2.gz VUJXMFIFWDNHIX-UHFFFAOYSA-N -2 3 388.804 2.523 20 0 GFADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000436752302 563678889 /nfs/dbraw/zinc/67/88/89/563678889.db2.gz ANPGUNRFDHADRA-UHFFFAOYSA-N -2 3 385.781 2.582 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Br)c1 ZINC000438748974 563709847 /nfs/dbraw/zinc/70/98/47/563709847.db2.gz ACQODNNSVRDMNW-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Br)c1 ZINC000438748974 563709849 /nfs/dbraw/zinc/70/98/49/563709849.db2.gz ACQODNNSVRDMNW-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL COC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000414332243 563727117 /nfs/dbraw/zinc/72/71/17/563727117.db2.gz LGASZBWVUCSBQQ-GFCCVEGCSA-N -2 3 389.882 2.808 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)sc1Cl ZINC000364366742 563751126 /nfs/dbraw/zinc/75/11/26/563751126.db2.gz CDVGNNQOAAMJCJ-JQWIXIFHSA-N -2 3 393.914 2.791 20 0 GFADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2csc(C3CCCCC3)n2)s1 ZINC000563228088 564181477 /nfs/dbraw/zinc/18/14/77/564181477.db2.gz KRQLZYZQADWSFX-UHFFFAOYSA-N -2 3 387.512 2.666 20 0 GFADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000541001234 564263217 /nfs/dbraw/zinc/26/32/17/564263217.db2.gz XFDAUAOAAUHQPT-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])c1ccc(C)o1 ZINC000565655320 564290312 /nfs/dbraw/zinc/29/03/12/564290312.db2.gz QHTFKUBTHUKRDM-ZDUSSCGKSA-N -2 3 387.841 2.996 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(C)C)c(F)c1 ZINC000451917140 564366485 /nfs/dbraw/zinc/36/64/85/564366485.db2.gz MKCYWXGGBYDDEQ-JSGCOSHPSA-N -2 3 392.518 2.548 20 0 GFADHL CCCC1CCC([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000477151798 564367337 /nfs/dbraw/zinc/36/73/37/564367337.db2.gz RFPKKKGFPCNYTQ-UHFFFAOYSA-N -2 3 392.518 2.834 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000568964836 564442681 /nfs/dbraw/zinc/44/26/81/564442681.db2.gz GCLVYYMEKLNSTP-PWSUYJOCSA-N -2 3 399.266 2.529 20 0 GFADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl ZINC000547546774 564492823 /nfs/dbraw/zinc/49/28/23/564492823.db2.gz UXDKDUODWQCYME-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL CSCC[C@@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000547558185 564494065 /nfs/dbraw/zinc/49/40/65/564494065.db2.gz STIBLIOSCRJDGK-LLVKDONJSA-N -2 3 377.871 2.879 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1sccc1Br)c1cccc(F)c1 ZINC000547596669 564500848 /nfs/dbraw/zinc/50/08/48/564500848.db2.gz TVRFTKIFSBMFEL-SNVBAGLBSA-N -2 3 394.243 2.754 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)Cc1ccccc1Cl ZINC000570378592 564502907 /nfs/dbraw/zinc/50/29/07/564502907.db2.gz HSVBWDZCCDBGGW-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547898398 564518511 /nfs/dbraw/zinc/51/85/11/564518511.db2.gz NSQCRYQKAHSZFL-ZDUSSCGKSA-N -2 3 375.780 2.592 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)c1c(Cl)cccc1Cl ZINC000547903949 564519183 /nfs/dbraw/zinc/51/91/83/564519183.db2.gz GGQTXAQASMUSNN-LBPRGKRZSA-N -2 3 379.196 2.632 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000547936079 564523500 /nfs/dbraw/zinc/52/35/00/564523500.db2.gz VNKUXYDGHLXIOA-GHMZBOCLSA-N -2 3 391.873 2.684 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1CC(c2ccccc2)C1 ZINC000571162202 564539427 /nfs/dbraw/zinc/53/94/27/564539427.db2.gz KTBZORWFPISCII-UHFFFAOYSA-N -2 3 381.475 2.927 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)C)C1 ZINC000571204846 564540613 /nfs/dbraw/zinc/54/06/13/564540613.db2.gz ZXONBBXPYUGUOO-AAEUAGOBSA-N -2 3 391.873 2.529 20 0 GFADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(=O)[O-] ZINC000548260276 564544766 /nfs/dbraw/zinc/54/47/66/564544766.db2.gz ALDXMQPDWHULKY-GWCFXTLKSA-N -2 3 391.873 2.684 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@](C)(OC)C1(C)C ZINC000518526280 564555944 /nfs/dbraw/zinc/55/59/44/564555944.db2.gz TVWHREWFGVPPRK-WBMJQRKESA-N -2 3 391.873 2.529 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccn1 ZINC000548534151 564556677 /nfs/dbraw/zinc/55/66/77/564556677.db2.gz IZFIZDFDSYEWRZ-JTQLQIEISA-N -2 3 389.260 2.610 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])s1 ZINC000548537941 564557070 /nfs/dbraw/zinc/55/70/70/564557070.db2.gz ARXCREVZUTWUIB-LBPRGKRZSA-N -2 3 388.898 2.635 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548537377 564557342 /nfs/dbraw/zinc/55/73/42/564557342.db2.gz UOVRJJQTXDZSSI-GWCFXTLKSA-N -2 3 387.841 2.553 20 0 GFADHL O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000548557321 564560339 /nfs/dbraw/zinc/56/03/39/564560339.db2.gz XEBSETSKGLYWDR-VIFPVBQESA-N -2 3 391.829 2.545 20 0 GFADHL CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000520682966 564610348 /nfs/dbraw/zinc/61/03/48/564610348.db2.gz DAYIUDXUOFHWPC-VXGBXAGGSA-N -2 3 393.889 2.533 20 0 GFADHL COc1cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(Cl)cc1C(=O)[O-] ZINC000485357517 564612403 /nfs/dbraw/zinc/61/24/03/564612403.db2.gz VITLDRSDMZERJI-QMMMGPOBSA-N -2 3 383.800 2.761 20 0 GFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000573060994 564620875 /nfs/dbraw/zinc/62/08/75/564620875.db2.gz SCZSUVRSXXLUMA-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000573092959 564622866 /nfs/dbraw/zinc/62/28/66/564622866.db2.gz AVDGGAXALCLPHK-PSASIEDQSA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000574765848 564688079 /nfs/dbraw/zinc/68/80/79/564688079.db2.gz NNNZJVFWWTVKMA-ZYHUDNBSSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000526950881 564723234 /nfs/dbraw/zinc/72/32/34/564723234.db2.gz ZKDVUXLGSFYJEP-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000527302080 564738095 /nfs/dbraw/zinc/73/80/95/564738095.db2.gz BVFMGNXILSQJAR-NWDGAFQWSA-N -2 3 393.889 2.675 20 0 GFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000554533584 564764938 /nfs/dbraw/zinc/76/49/38/564764938.db2.gz RHLKUVYNKFOXIT-MRVPVSSYSA-N -2 3 387.351 2.892 20 0 GFADHL C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000580712697 564770409 /nfs/dbraw/zinc/77/04/09/564770409.db2.gz OAOQDERTDKCCLT-QMMMGPOBSA-N -2 3 394.396 2.770 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000581566762 564807767 /nfs/dbraw/zinc/80/77/67/564807767.db2.gz DDJUICAFFAOJKD-MNOVXSKESA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCOCC1 ZINC000581605591 564809984 /nfs/dbraw/zinc/80/99/84/564809984.db2.gz NABBUVKVWMQNND-UHFFFAOYSA-N -2 3 389.882 2.857 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000582155678 564833096 /nfs/dbraw/zinc/83/30/96/564833096.db2.gz YIRXBAJHOSRGHF-LLVKDONJSA-N -2 3 393.408 2.989 20 0 GFADHL CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000583022102 564872857 /nfs/dbraw/zinc/87/28/57/564872857.db2.gz UUNFTCWNYXVDAH-PELKAZGASA-N -2 3 390.870 2.549 20 0 GFADHL CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000583022106 564873026 /nfs/dbraw/zinc/87/30/26/564873026.db2.gz UUNFTCWNYXVDAH-QPUJVOFHSA-N -2 3 390.870 2.549 20 0 GFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCc2sccc21 ZINC000583082330 564875294 /nfs/dbraw/zinc/87/52/94/564875294.db2.gz RJSJVXKKYPOZIG-GFCCVEGCSA-N -2 3 385.438 2.950 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)Cc1ccc(Cl)cc1 ZINC000558871214 564916728 /nfs/dbraw/zinc/91/67/28/564916728.db2.gz WJRMNDOWGVAUGA-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000559153589 564924644 /nfs/dbraw/zinc/92/46/44/564924644.db2.gz YDGAHCKTUYJCJK-HUUCEWRRSA-N -2 3 393.864 2.542 20 0 GFADHL C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H](C(=O)[O-])C1 ZINC000584215641 564926070 /nfs/dbraw/zinc/92/60/70/564926070.db2.gz PXTHUFLKSXUREW-LKFCYVNXSA-N -2 3 393.237 2.616 20 0 GFADHL O=C(CNC(=O)c1ccc([O-])cc1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000535653587 565017311 /nfs/dbraw/zinc/01/73/11/565017311.db2.gz AHAXELUCLSIJSC-UHFFFAOYSA-N -2 3 399.628 2.882 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)c1 ZINC000537195192 565054620 /nfs/dbraw/zinc/05/46/20/565054620.db2.gz IDRPXKINZSXCRJ-UHFFFAOYSA-N -2 3 375.397 2.992 20 0 GFADHL O=C([O-])C1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000537644524 565060935 /nfs/dbraw/zinc/06/09/35/565060935.db2.gz LWBYUKVZGATMQP-UHFFFAOYSA-N -2 3 393.237 2.664 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)c1 ZINC000657142264 565077426 /nfs/dbraw/zinc/07/74/26/565077426.db2.gz CDUMKJWONUZWEZ-YGRLFVJLSA-N -2 3 375.874 2.906 20 0 GFADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000584502032 565083743 /nfs/dbraw/zinc/08/37/43/565083743.db2.gz GXWRHYXZRPNYFK-UHFFFAOYSA-N -2 3 375.752 2.667 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc2c1OCCO2 ZINC000590264540 565181951 /nfs/dbraw/zinc/18/19/51/565181951.db2.gz CFECGVFGXCUKMW-UHFFFAOYSA-N -2 3 387.772 2.749 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CCC1 ZINC000663257674 565404478 /nfs/dbraw/zinc/40/44/78/565404478.db2.gz XNRUUJHDVCGXRG-VIFPVBQESA-N -2 3 385.335 2.504 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c(F)cc1Br ZINC000666157486 565524116 /nfs/dbraw/zinc/52/41/16/565524116.db2.gz STFLSBJLRRYZON-UHFFFAOYSA-N -2 3 382.251 2.676 20 0 GFADHL C[C@@]1([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCCC[C@H]1C(=O)[O-] ZINC000646039547 565584130 /nfs/dbraw/zinc/58/41/30/565584130.db2.gz UBJWROKWCVHEJU-ZUZCIYMTSA-N -2 3 381.372 2.739 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c(C)c1OCC(=O)[O-] ZINC000647918970 565683803 /nfs/dbraw/zinc/68/38/03/565683803.db2.gz FYPLBISOZRZHAT-UHFFFAOYSA-N -2 3 385.825 2.927 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000650426858 565820532 /nfs/dbraw/zinc/82/05/32/565820532.db2.gz VTRISXWHHZTYJW-SECBINFHSA-N -2 3 386.882 2.995 20 0 GFADHL CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccc1F ZINC000676002646 565922866 /nfs/dbraw/zinc/92/28/66/565922866.db2.gz JTJWANKLTIRRTR-UHFFFAOYSA-N -2 3 386.788 2.801 20 0 GFADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-])C1CC1 ZINC000656170220 566109867 /nfs/dbraw/zinc/10/98/67/566109867.db2.gz VEYZGYSCEFXNIG-RYUDHWBXSA-N -2 3 382.265 2.540 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000681567282 566113259 /nfs/dbraw/zinc/11/32/59/566113259.db2.gz LTPJIXOXWMYQED-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CCC1 ZINC000656518480 566133414 /nfs/dbraw/zinc/13/34/14/566133414.db2.gz WKQQBARMKQHJOL-UHFFFAOYSA-N -2 3 382.663 2.636 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c1ccccc1 ZINC000683729616 566211331 /nfs/dbraw/zinc/21/13/31/566211331.db2.gz VBRBZSVVMVGYMC-ZDUSSCGKSA-N -2 3 383.853 2.885 20 0 GFADHL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737047807 598841633 /nfs/dbraw/zinc/84/16/33/598841633.db2.gz RVWKUYPGDPMIAV-UHFFFAOYSA-N -2 3 397.819 2.777 20 0 GFADHL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737047807 598841634 /nfs/dbraw/zinc/84/16/34/598841634.db2.gz RVWKUYPGDPMIAV-UHFFFAOYSA-N -2 3 397.819 2.777 20 0 GFADHL Cc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)ccc2o1 ZINC000737486535 598867424 /nfs/dbraw/zinc/86/74/24/598867424.db2.gz CLHQGDXUTGBLCW-UHFFFAOYSA-N -2 3 390.812 2.771 20 0 GFADHL Cc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)ccc2o1 ZINC000737486535 598867425 /nfs/dbraw/zinc/86/74/25/598867425.db2.gz CLHQGDXUTGBLCW-UHFFFAOYSA-N -2 3 390.812 2.771 20 0 GFADHL Cc1c([N-]S(=O)(=O)c2ccccc2OC(F)F)cccc1-c1nn[n-]n1 ZINC000822128303 607255337 /nfs/dbraw/zinc/25/53/37/607255337.db2.gz ATMAXTMSAZCKNG-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCC1CCCCC1 ZINC000737298410 598975159 /nfs/dbraw/zinc/97/51/59/598975159.db2.gz JUWAQVPLRJHMED-UHFFFAOYSA-N -2 3 391.497 2.731 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCC1CCCCC1 ZINC000737298410 598975161 /nfs/dbraw/zinc/97/51/61/598975161.db2.gz JUWAQVPLRJHMED-UHFFFAOYSA-N -2 3 391.497 2.731 20 0 GFADHL C[C@@]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)(C(=O)[O-])C1CC1 ZINC000736663548 600240422 /nfs/dbraw/zinc/24/04/22/600240422.db2.gz AUDGOULJPJLHKQ-LBPRGKRZSA-N -2 3 382.663 2.634 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737412163 598548595 /nfs/dbraw/zinc/54/85/95/598548595.db2.gz WPKAQDQVQQWFMV-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000154396653 599558951 /nfs/dbraw/zinc/55/89/51/599558951.db2.gz GWLRDPYNNBYEEC-UHFFFAOYSA-N -2 3 394.338 2.558 20 0 GFADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1OC ZINC000737226425 599709011 /nfs/dbraw/zinc/70/90/11/599709011.db2.gz LXKHZUSVSJADHH-UHFFFAOYSA-N -2 3 393.421 2.799 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C(=O)NC(C)C ZINC000518170190 599908137 /nfs/dbraw/zinc/90/81/37/599908137.db2.gz LQLLLMVGOBNAGI-UHFFFAOYSA-N -2 3 376.434 2.632 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)c1C(=O)[O-] ZINC000738744794 600256751 /nfs/dbraw/zinc/25/67/51/600256751.db2.gz NZKIJJFOKDMYJL-AWEZNQCLSA-N -2 3 390.461 2.719 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738654504 600489367 /nfs/dbraw/zinc/48/93/67/600489367.db2.gz BCYMURXEMGUOIF-UHFFFAOYSA-N -3 3 393.417 2.738 20 0 GFADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736781187 600633651 /nfs/dbraw/zinc/63/36/51/600633651.db2.gz NTDHYAQJHHPMNC-HQJQHLMTSA-N -2 3 380.235 2.753 20 0 GFADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736781190 600633705 /nfs/dbraw/zinc/63/37/05/600633705.db2.gz NTDHYAQJHHPMNC-WRWORJQWSA-N -2 3 380.235 2.753 20 0 GFADHL O=C([O-])COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000739832673 600635187 /nfs/dbraw/zinc/63/51/87/600635187.db2.gz IQQFPSVMJLEOID-UHFFFAOYSA-N -2 3 396.273 2.997 20 0 GFADHL CC(C)c1nn(C)c2sc(C(=O)[N-]c3nnc(CCC(=O)[O-])s3)cc12 ZINC000827164166 600890016 /nfs/dbraw/zinc/89/00/16/600890016.db2.gz MCXOBFPJNCGEGE-UHFFFAOYSA-N -2 3 379.467 2.879 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)ccc1C(=O)[O-] ZINC000832903769 600981412 /nfs/dbraw/zinc/98/14/12/600981412.db2.gz SJYGRJMSSYNWSD-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C(=O)[O-] ZINC000833028702 601216330 /nfs/dbraw/zinc/21/63/30/601216330.db2.gz OAUFXSHXLDFCSD-SNVBAGLBSA-N -2 3 392.433 2.674 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CCc2coc(-c3ccc(F)cc3)n2)cc1C(=O)[O-] ZINC000833026763 601219948 /nfs/dbraw/zinc/21/99/48/601219948.db2.gz JVWLDWNVUVJQQZ-UHFFFAOYSA-N -2 3 394.380 2.601 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ncc(-c3ccccc3)o2)cc1C(=O)[O-] ZINC000833027739 601222854 /nfs/dbraw/zinc/22/28/54/601222854.db2.gz JATKBDZJHFRHMJ-SNVBAGLBSA-N -2 3 376.390 2.981 20 0 GFADHL COc1ccccc1C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(C)C ZINC000521620036 601225664 /nfs/dbraw/zinc/22/56/64/601225664.db2.gz DOSAZQQHDXYQAG-HNNXBMFYSA-N -2 3 381.450 2.840 20 0 GFADHL CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1nccs1 ZINC000828692846 601238025 /nfs/dbraw/zinc/23/80/25/601238025.db2.gz NAFRXEDLBUTISF-CQSZACIVSA-N -2 3 376.406 2.723 20 0 GFADHL Cc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)s1 ZINC000318753524 601252912 /nfs/dbraw/zinc/25/29/12/601252912.db2.gz QPJIPPFNWNEDNP-UHFFFAOYSA-N -2 3 381.262 2.935 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000055643695 601323795 /nfs/dbraw/zinc/32/37/95/601323795.db2.gz DCEYCOMKMNGIPK-UHFFFAOYSA-N -2 3 383.397 2.658 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC000831779864 601325147 /nfs/dbraw/zinc/32/51/47/601325147.db2.gz VMFDEWZGMBEDRK-BJMVGYQFSA-N -2 3 391.445 2.919 20 0 GFADHL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000833345175 601832962 /nfs/dbraw/zinc/83/29/62/601832962.db2.gz RXGDMGSFWLERIQ-UHFFFAOYSA-N -2 3 391.188 2.616 20 0 GFADHL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc21 ZINC000740529546 602246574 /nfs/dbraw/zinc/24/65/74/602246574.db2.gz MFQHTICCBNBMOO-UHFFFAOYSA-N -2 3 386.385 2.634 20 0 GFADHL Cc1nc(C)c(CCC(=O)NCCN(C(=O)[O-])C2CCCCCC2)c(=O)[n-]1 ZINC000830715509 604266661 /nfs/dbraw/zinc/26/66/61/604266661.db2.gz FRXIBDHLOAELLK-UHFFFAOYSA-N -2 3 378.473 2.551 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C1CCCCC1 ZINC000833169742 604488120 /nfs/dbraw/zinc/48/81/20/604488120.db2.gz ZYFSWULQPIXCKO-CYBMUJFWSA-N -2 3 394.262 2.900 20 0 GFADHL CC1=C(C(=O)[O-])[C@H](c2ccc([O-])c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000833578807 604556649 /nfs/dbraw/zinc/55/66/49/604556649.db2.gz XDFBINLDIJBRIT-INIZCTEOSA-N -3 3 380.372 2.601 20 0 GFADHL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1Cl ZINC000833259056 604807165 /nfs/dbraw/zinc/80/71/65/604807165.db2.gz HEAIQAHTEKHSIM-UHFFFAOYSA-N -2 3 383.809 2.539 20 0 GFADHL CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])c1ccco1 ZINC000829070634 605022478 /nfs/dbraw/zinc/02/24/78/605022478.db2.gz XCPRBVMOAFSELD-MRXNPFEDSA-N -2 3 381.450 2.811 20 0 GFADHL Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccsc3C(=O)[O-])co2)cc1 ZINC000833746871 605042737 /nfs/dbraw/zinc/04/27/37/605042737.db2.gz TYIRGENTMGTHKE-UHFFFAOYSA-N -2 3 378.431 2.888 20 0 GFADHL CC(C)(C)[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833422529 605715188 /nfs/dbraw/zinc/71/51/88/605715188.db2.gz FSQAFPBSLGWSLE-MJGOQNOKSA-N -2 3 398.459 2.869 20 0 GFADHL Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3C)c2n1 ZINC000822280041 606632970 /nfs/dbraw/zinc/63/29/70/606632970.db2.gz IISGJTRIGOJNBR-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc2O1 ZINC000820607250 607034762 /nfs/dbraw/zinc/03/47/62/607034762.db2.gz NRCFJEDQGPUWCQ-UHFFFAOYSA-N -2 3 389.412 2.520 20 0 GFADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc2O1 ZINC000820607250 607034764 /nfs/dbraw/zinc/03/47/64/607034764.db2.gz NRCFJEDQGPUWCQ-UHFFFAOYSA-N -2 3 389.412 2.520 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1Cl ZINC000826303881 608582982 /nfs/dbraw/zinc/58/29/82/608582982.db2.gz KIHZFVLIBOBLPA-UHFFFAOYSA-N -2 3 395.876 2.581 20 0 GFADHL Cc1nn(-c2ccccc2)c(CSc2nc(C)c(C)c(=O)[n-]2)c1-c1nnn[n-]1 ZINC000826327928 609182179 /nfs/dbraw/zinc/18/21/79/609182179.db2.gz ZYEXJODYDBPABF-UHFFFAOYSA-N -2 3 394.464 2.766 20 0 GFADHL CCOC(=O)c1cc(NC(=O)c2cc(Br)cc(Cl)c2[O-])[n-]n1 ZINC000537545595 650816072 /nfs/dbraw/zinc/81/60/72/650816072.db2.gz BINXIFLSWQZSHI-UHFFFAOYSA-N -2 3 388.605 2.960 20 0 GFADHL CCOC(=O)c1cc(NC(=O)c2cc(Br)cc(Cl)c2[O-])n[n-]1 ZINC000537545595 650816077 /nfs/dbraw/zinc/81/60/77/650816077.db2.gz BINXIFLSWQZSHI-UHFFFAOYSA-N -2 3 388.605 2.960 20 0 GFADHL CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCO1 ZINC000817573495 660200960 /nfs/dbraw/zinc/20/09/60/660200960.db2.gz NNQFAQCCHWLAGC-ZJUUUORDSA-N -2 3 382.265 2.928 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1Cl ZINC000032595864 654606042 /nfs/dbraw/zinc/60/60/42/654606042.db2.gz WCPXDNSIRPFNJU-UHFFFAOYSA-N -2 3 390.870 2.521 20 0 GFADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(-c3ccccc3F)o2)s1 ZINC000047293450 654692453 /nfs/dbraw/zinc/69/24/53/654692453.db2.gz GDRNRBKQIDBCIV-UHFFFAOYSA-N -2 3 382.398 2.561 20 0 GFADHL O=C(CCC1CCCCC1)[N-][N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000066588538 654908734 /nfs/dbraw/zinc/90/87/34/654908734.db2.gz UPHMFXJOCIOTIS-UHFFFAOYSA-N -2 3 389.861 2.918 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)sc1Br ZINC000136739661 655034889 /nfs/dbraw/zinc/03/48/89/655034889.db2.gz WUPQIVHGOQJYNT-QMMMGPOBSA-N -2 3 384.317 2.987 20 0 GFADHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][N-]C(=O)CCCc2ccccc2)c1 ZINC000186982867 655372281 /nfs/dbraw/zinc/37/22/81/655372281.db2.gz MBMRSXPMPSTZTL-UHFFFAOYSA-N -2 3 377.853 2.544 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])s1 ZINC000576338576 655445793 /nfs/dbraw/zinc/44/57/93/655445793.db2.gz ULAWUPGVPXPZOD-LLVKDONJSA-N -2 3 395.289 2.733 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br)CC(F)F ZINC000700133885 655521501 /nfs/dbraw/zinc/52/15/01/655521501.db2.gz HIYVYUAPWUBCIU-YFKPBYRVSA-N -2 3 392.243 2.778 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000776564036 656758509 /nfs/dbraw/zinc/75/85/09/656758509.db2.gz OTLKENJOOIRWHT-SECBINFHSA-N -2 3 399.321 2.819 20 0 GFADHL O=C([O-])[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000780688019 657023308 /nfs/dbraw/zinc/02/33/08/657023308.db2.gz UZMCSVXNKMSGRD-AWEZNQCLSA-N -2 3 379.210 2.780 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C)nc2Cl)c1 ZINC000800837410 659335444 /nfs/dbraw/zinc/33/54/44/659335444.db2.gz WYJYFUUJESHKSO-UHFFFAOYSA-N -2 3 389.886 2.524 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000844898460 661447686 /nfs/dbraw/zinc/44/76/86/661447686.db2.gz LIXKYSSPLGGGHD-PWSUYJOCSA-N -2 3 394.276 2.928 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000844898684 661447724 /nfs/dbraw/zinc/44/77/24/661447724.db2.gz LIXKYSSPLGGGHD-ZYHUDNBSSA-N -2 3 394.276 2.928 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(F)c1 ZINC000057115867 222028732 /nfs/dbraw/zinc/02/87/32/222028732.db2.gz UZGKPUDGVKHVON-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000155510637 551501547 /nfs/dbraw/zinc/50/15/47/551501547.db2.gz ZXXUMJXAXCJEOW-UHFFFAOYSA-N -2 3 381.262 2.678 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000172897061 551689815 /nfs/dbraw/zinc/68/98/15/551689815.db2.gz LSXHUXAOZYDOEF-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230099463 553064540 /nfs/dbraw/zinc/06/45/40/553064540.db2.gz YCLPPEMWWPIEBT-LLVKDONJSA-N -2 3 382.251 2.756 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)c1 ZINC000237964008 553084698 /nfs/dbraw/zinc/08/46/98/553084698.db2.gz DHKFAMPZADUGHO-LBPRGKRZSA-N -2 3 386.520 2.623 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Br)CC(=O)[O-] ZINC000282993457 563432566 /nfs/dbraw/zinc/43/25/66/563432566.db2.gz NGAXZEOEDUJKPC-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000317565198 563443171 /nfs/dbraw/zinc/44/31/71/563443171.db2.gz FRZVQHPGVRLMDA-JTQLQIEISA-N -2 3 394.287 2.627 20 0 GFADHL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(Cl)cccc3C(=O)[O-])cc21 ZINC000327702479 563459589 /nfs/dbraw/zinc/45/95/89/563459589.db2.gz XNEAQQODOHLIKC-QMMMGPOBSA-N -2 3 380.809 2.895 20 0 GFADHL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427334924 563465520 /nfs/dbraw/zinc/46/55/20/563465520.db2.gz CSAPEFGHECMGOD-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000387227687 563519909 /nfs/dbraw/zinc/51/99/09/563519909.db2.gz IOPYSDMHJVNZBL-UHFFFAOYSA-N -2 3 381.262 2.935 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)CC1CC1 ZINC000405229586 563538807 /nfs/dbraw/zinc/53/88/07/563538807.db2.gz QHGKICFLFZPQLU-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)Oc1ccc(Cl)cc1 ZINC000431341521 563559197 /nfs/dbraw/zinc/55/91/97/563559197.db2.gz JTTNDLMODQESEA-VIFPVBQESA-N -2 3 375.855 2.846 20 0 GFADHL COC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000436512320 563672491 /nfs/dbraw/zinc/67/24/91/563672491.db2.gz JLDQKZVMZIBTHP-UHFFFAOYSA-N -2 3 380.194 2.828 20 0 GFADHL COc1ccc(Cl)cc1N(C)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-] ZINC000436639700 563675885 /nfs/dbraw/zinc/67/58/85/563675885.db2.gz MBWQPTYSVUSUKH-UHFFFAOYSA-N -2 3 385.825 2.886 20 0 GFADHL O=C(c1cc(Br)cc(Cl)c1[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000436844137 563680901 /nfs/dbraw/zinc/68/09/01/563680901.db2.gz DGMMDKOFDVZUAV-UHFFFAOYSA-N -2 3 384.617 2.502 20 0 GFADHL COc1cc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c(Cl)cc1C(=O)[O-] ZINC000414339931 563727796 /nfs/dbraw/zinc/72/77/96/563727796.db2.gz TVANQRNFSNBNKZ-QMMMGPOBSA-N -2 3 383.800 2.761 20 0 GFADHL CCc1ncsc1C(=O)[N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000441813834 563764285 /nfs/dbraw/zinc/76/42/85/563764285.db2.gz UILJSDXNCHMRDI-UHFFFAOYSA-N -2 3 395.491 2.610 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c1 ZINC000507606050 564234724 /nfs/dbraw/zinc/23/47/24/564234724.db2.gz YQPBWAWOTXFOIY-JTQLQIEISA-N -3 3 383.447 2.767 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)s1 ZINC000564919375 564257251 /nfs/dbraw/zinc/25/72/51/564257251.db2.gz COPVYUBZYTWMCM-QMMMGPOBSA-N -2 3 375.493 2.734 20 0 GFADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000508450015 564264041 /nfs/dbraw/zinc/26/40/41/564264041.db2.gz MTRQKOSBZLTDOF-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000508450015 564264045 /nfs/dbraw/zinc/26/40/45/564264045.db2.gz MTRQKOSBZLTDOF-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL O=C([O-])c1cc(F)c(Br)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000451077931 564271223 /nfs/dbraw/zinc/27/12/23/564271223.db2.gz LKYHCKITUJTECY-QMMMGPOBSA-N -2 3 396.234 2.597 20 0 GFADHL CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451130234 564279189 /nfs/dbraw/zinc/27/91/89/564279189.db2.gz LKXUUDGPUBEHIB-GFCCVEGCSA-N -2 3 380.507 2.834 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC2=CCCC2)c(F)c1 ZINC000451346835 564303009 /nfs/dbraw/zinc/30/30/09/564303009.db2.gz NOKBHHIKGAZGHE-UHFFFAOYSA-N -2 3 390.502 2.756 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)CC(C)C)c(F)c1 ZINC000451348460 564303894 /nfs/dbraw/zinc/30/38/94/564303894.db2.gz QDEAJYFRMISAOC-LBPRGKRZSA-N -2 3 380.507 2.690 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC2=CCCCC2)c(F)c1 ZINC000451635235 564333992 /nfs/dbraw/zinc/33/39/92/564333992.db2.gz VGNKLAYYSJCULT-UHFFFAOYSA-N -2 3 390.502 2.756 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000567231482 564362168 /nfs/dbraw/zinc/36/21/68/564362168.db2.gz AVBDXJQWFPARHF-MRVPVSSYSA-N -2 3 394.396 2.942 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccccc1 ZINC000547549134 564493689 /nfs/dbraw/zinc/49/36/89/564493689.db2.gz SLFYMSVLDLPXAE-ZDUSSCGKSA-N -2 3 388.214 2.692 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000547565664 564495154 /nfs/dbraw/zinc/49/51/54/564495154.db2.gz OEPAUIBEAPPNFX-LBPRGKRZSA-N -2 3 375.780 2.592 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])s1 ZINC000547570939 564495998 /nfs/dbraw/zinc/49/59/98/564495998.db2.gz SGBMIEGCSAXBIU-BXKDBHETSA-N -2 3 382.301 2.741 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1F ZINC000547610251 564502407 /nfs/dbraw/zinc/50/24/07/564502407.db2.gz HYWMTUIEBNHQOO-CYBMUJFWSA-N -2 3 389.807 2.901 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1c(F)cccc1F ZINC000547612659 564502564 /nfs/dbraw/zinc/50/25/64/564502564.db2.gz ODHBNYDBTDPZJP-AWEZNQCLSA-N -2 3 375.780 2.864 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000548197299 564535104 /nfs/dbraw/zinc/53/51/04/564535104.db2.gz LFZROITURSVAET-LBPRGKRZSA-N -2 3 375.855 2.904 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)ccc1C ZINC000548222613 564539125 /nfs/dbraw/zinc/53/91/25/564539125.db2.gz MTJOUHHKQZQWBV-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccsc1 ZINC000548261482 564544448 /nfs/dbraw/zinc/54/44/48/564544448.db2.gz QPKOCEIKUMWZPV-LLVKDONJSA-N -2 3 394.243 2.754 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000548264890 564545346 /nfs/dbraw/zinc/54/53/46/564545346.db2.gz QYNOJNAFXFCPAA-GHMZBOCLSA-N -2 3 391.873 2.684 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccsc1 ZINC000548266370 564545472 /nfs/dbraw/zinc/54/54/72/564545472.db2.gz WOBPXODLQSMNOJ-ZDUSSCGKSA-N -2 3 380.472 2.976 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548537378 564557469 /nfs/dbraw/zinc/55/74/69/564557469.db2.gz UOVRJJQTXDZSSI-GXFFZTMASA-N -2 3 387.841 2.553 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000484549751 564590339 /nfs/dbraw/zinc/59/03/39/564590339.db2.gz YGDRLJGLTCMIPL-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551596394 564657215 /nfs/dbraw/zinc/65/72/15/564657215.db2.gz FWYBVVJHAVOATD-QMMMGPOBSA-N -2 3 384.679 2.738 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cccnc1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000574078115 564667928 /nfs/dbraw/zinc/66/79/28/564667928.db2.gz RBUQTFRGOWXTPY-ZETCQYMHSA-N -2 3 395.384 2.685 20 0 GFADHL CCCSC[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000577038502 564723166 /nfs/dbraw/zinc/72/31/66/564723166.db2.gz JJMKWVOVYMQIAS-GFCCVEGCSA-N -2 3 375.443 2.755 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000527300470 564738287 /nfs/dbraw/zinc/73/82/87/564738287.db2.gz GYKFFEBGTMCMAP-SNVBAGLBSA-N -2 3 381.262 2.863 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)cc1Cl ZINC000554676888 564769931 /nfs/dbraw/zinc/76/99/31/564769931.db2.gz NMAACCONBFOLGT-WPPNPWJKSA-N -2 3 382.265 2.780 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Oc1ccccc1 ZINC000555424509 564793576 /nfs/dbraw/zinc/79/35/76/564793576.db2.gz HBZPZUKEMBXVFX-LBPRGKRZSA-N -2 3 390.244 2.804 20 0 GFADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000581542369 564807055 /nfs/dbraw/zinc/80/70/55/564807055.db2.gz KCPAZEGMWAORJJ-ZJUUUORDSA-N -2 3 393.237 2.616 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])s1 ZINC000584051013 564917833 /nfs/dbraw/zinc/91/78/33/564917833.db2.gz CGPGMDRALZZUOS-HIFRSBDPSA-N -2 3 380.491 2.693 20 0 GFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000560480961 564964683 /nfs/dbraw/zinc/96/46/83/564964683.db2.gz FGDYWHWCBQHPPF-WCQYABFASA-N -2 3 393.889 2.675 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1cccs1 ZINC000562373404 565026788 /nfs/dbraw/zinc/02/67/88/565026788.db2.gz GCNBVFPUWSWQBN-LLVKDONJSA-N -2 3 399.343 2.890 20 0 GFADHL Cc1nc(C=Cc2cc3c(cc2Br)OCO3)[n-]c(=O)c1CC(=O)[O-] ZINC000470261878 565042232 /nfs/dbraw/zinc/04/22/32/565042232.db2.gz WSQKJRFSUJVCNA-NSCUHMNNSA-N -2 3 393.193 2.779 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1Br ZINC000536611664 565042690 /nfs/dbraw/zinc/04/26/90/565042690.db2.gz PHIVNBGGRGMVKV-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL CS(=O)(=O)c1nc([N-]C(=O)c2sc3cccc(Cl)c3c2Cl)n[n-]1 ZINC000586757174 565114193 /nfs/dbraw/zinc/11/41/93/565114193.db2.gz IQSRAOYOOUAVEL-UHFFFAOYSA-N -2 3 391.261 2.982 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1 ZINC000589148656 565153388 /nfs/dbraw/zinc/15/33/88/565153388.db2.gz PQEFCLWSBOYZRP-UHFFFAOYSA-N -2 3 385.825 2.921 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000590316782 565184380 /nfs/dbraw/zinc/18/43/80/565184380.db2.gz FBEJZHKYGNBCKE-UHFFFAOYSA-N -2 3 382.511 2.662 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C)c(Br)s2)c[n-]1 ZINC000618906601 565322220 /nfs/dbraw/zinc/32/22/20/565322220.db2.gz POGHOYFKEHZJPK-UHFFFAOYSA-N -2 3 394.272 2.520 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)sc1Br ZINC000663255038 565403992 /nfs/dbraw/zinc/40/39/92/565403992.db2.gz PGYPEAXXEJZQNG-VIFPVBQESA-N -2 3 382.301 2.598 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CCC1 ZINC000663257673 565404158 /nfs/dbraw/zinc/40/41/58/565404158.db2.gz XNRUUJHDVCGXRG-SECBINFHSA-N -2 3 385.335 2.504 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000645947403 565577959 /nfs/dbraw/zinc/57/79/59/565577959.db2.gz DQAZXTJWKRXNEY-SFYZADRCSA-N -2 3 387.401 2.854 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1OC(F)F ZINC000645950631 565578206 /nfs/dbraw/zinc/57/82/06/565578206.db2.gz FTZGBNBJRZPHEB-SECBINFHSA-N -2 3 392.405 2.872 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000646027047 565582759 /nfs/dbraw/zinc/58/27/59/565582759.db2.gz ZWWRIWSVIFWEIM-GFCCVEGCSA-N -2 3 387.504 2.973 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000650427297 565819833 /nfs/dbraw/zinc/81/98/33/565819833.db2.gz FLAPBKYIYRTAES-ZETCQYMHSA-N -2 3 382.663 2.634 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000629297355 565838286 /nfs/dbraw/zinc/83/82/86/565838286.db2.gz QGNGBHZMLVMSOK-MRVPVSSYSA-N -2 3 382.251 2.676 20 0 GFADHL COc1ccc(CN=c2nc(C(C)(C)OC)[n-]s2)c(Br)c1[O-] ZINC000630959788 565929637 /nfs/dbraw/zinc/92/96/37/565929637.db2.gz LETLGLYGDBJAJC-UHFFFAOYSA-N -2 3 388.287 2.930 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)[C@H]1CCCCO1 ZINC000656179895 566112001 /nfs/dbraw/zinc/11/20/01/566112001.db2.gz BYGDELHYNPRSEB-QWHCGFSZSA-N -2 3 391.873 2.673 20 0 GFADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000681578952 566114630 /nfs/dbraw/zinc/11/46/30/566114630.db2.gz JQFWATBMUHJPFK-LLVKDONJSA-N -2 3 382.265 2.711 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-])s2)cs1 ZINC000656723192 566157962 /nfs/dbraw/zinc/15/79/62/566157962.db2.gz BQXRCDYKLWKYQC-ZDUSSCGKSA-N -2 3 378.472 2.661 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1cccs1 ZINC000684134020 566228657 /nfs/dbraw/zinc/22/86/57/566228657.db2.gz ZPUNEAQJGSTEIH-SNVBAGLBSA-N -2 3 395.380 2.983 20 0 GFADHL CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736423100 598855859 /nfs/dbraw/zinc/85/58/59/598855859.db2.gz QYOXVNKVFJXDHD-HNNXBMFYSA-N -2 3 391.497 2.668 20 0 GFADHL CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736423100 598855861 /nfs/dbraw/zinc/85/58/61/598855861.db2.gz QYOXVNKVFJXDHD-HNNXBMFYSA-N -2 3 391.497 2.668 20 0 GFADHL O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cncc([O-])c1 ZINC000738110494 598892806 /nfs/dbraw/zinc/89/28/06/598892806.db2.gz DXYWNPJITXQKGI-UHFFFAOYSA-N -2 3 378.417 2.626 20 0 GFADHL Cc1c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822130204 607255327 /nfs/dbraw/zinc/25/53/27/607255327.db2.gz QLZKLPGHZQSALI-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc2ccccc2s1 ZINC000737297904 598974557 /nfs/dbraw/zinc/97/45/57/598974557.db2.gz FFVJLYBYHYMZDU-UHFFFAOYSA-N -2 3 399.457 2.509 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc2ccccc2s1 ZINC000737297904 598974559 /nfs/dbraw/zinc/97/45/59/598974559.db2.gz FFVJLYBYHYMZDU-UHFFFAOYSA-N -2 3 399.457 2.509 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)cnc1Cl ZINC000737284020 599229832 /nfs/dbraw/zinc/22/98/32/599229832.db2.gz XGAUBNOPWULUHX-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)cnc1Cl ZINC000737284020 599229833 /nfs/dbraw/zinc/22/98/33/599229833.db2.gz XGAUBNOPWULUHX-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccccc1-c1nnn[n-]1 ZINC000738343381 599237484 /nfs/dbraw/zinc/23/74/84/599237484.db2.gz YAUJLVGIKIBTQX-UHFFFAOYSA-N -2 3 383.355 2.772 20 0 GFADHL O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccccc1-c1nn[n-]n1 ZINC000738343381 599237487 /nfs/dbraw/zinc/23/74/87/599237487.db2.gz YAUJLVGIKIBTQX-UHFFFAOYSA-N -2 3 383.355 2.772 20 0 GFADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736439011 599245006 /nfs/dbraw/zinc/24/50/06/599245006.db2.gz QTWNJNZVVRJRFI-CYBMUJFWSA-N -2 3 379.486 2.587 20 0 GFADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736439011 599245008 /nfs/dbraw/zinc/24/50/08/599245008.db2.gz QTWNJNZVVRJRFI-CYBMUJFWSA-N -2 3 379.486 2.587 20 0 GFADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737446670 598593570 /nfs/dbraw/zinc/59/35/70/598593570.db2.gz SADLQCHQAJJEGW-UHFFFAOYSA-N -2 3 384.396 2.663 20 0 GFADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737446670 598593573 /nfs/dbraw/zinc/59/35/73/598593573.db2.gz SADLQCHQAJJEGW-UHFFFAOYSA-N -2 3 384.396 2.663 20 0 GFADHL O=C([O-])CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000739755944 599811899 /nfs/dbraw/zinc/81/18/99/599811899.db2.gz FOUWHLAAPNUOIG-KRWDZBQOSA-N -2 3 382.416 2.653 20 0 GFADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000476732489 599924925 /nfs/dbraw/zinc/92/49/25/599924925.db2.gz IBHPUKCGPZGVKW-UHFFFAOYSA-N -2 3 379.434 2.909 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Cc1cccc(F)c1 ZINC000739503732 599979374 /nfs/dbraw/zinc/97/93/74/599979374.db2.gz WDFZWONLRHHSBN-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000738347756 600058523 /nfs/dbraw/zinc/05/85/23/600058523.db2.gz TVXGOXZVKWXERW-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL O=C([O-])CCc1nnc([N-]C(=O)c2cnn3c2nccc3-c2ccccc2)s1 ZINC000739782129 600204785 /nfs/dbraw/zinc/20/47/85/600204785.db2.gz SJXDWPXOSHSZFV-UHFFFAOYSA-N -2 3 394.416 2.517 20 0 GFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 ZINC000521509104 600244418 /nfs/dbraw/zinc/24/44/18/600244418.db2.gz NOCAYWBOKSJIKZ-MSOLQXFVSA-N -2 3 391.445 2.868 20 0 GFADHL O=C([O-])c1ccc(NC(=O)c2nnc3ccccc3c2[O-])c(OC(F)F)c1 ZINC000740160701 600486228 /nfs/dbraw/zinc/48/62/28/600486228.db2.gz HRLOGRNXHDJLPY-UHFFFAOYSA-N -2 3 375.287 2.887 20 0 GFADHL COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000737596083 600489192 /nfs/dbraw/zinc/48/91/92/600489192.db2.gz KSPJLWBQUBEEGU-UHFFFAOYSA-N -2 3 393.417 2.518 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1C(=O)[O-] ZINC000042794657 600542439 /nfs/dbraw/zinc/54/24/39/600542439.db2.gz NQYZXQUBXWYASY-UHFFFAOYSA-N -2 3 392.433 2.789 20 0 GFADHL Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738903346 600628268 /nfs/dbraw/zinc/62/82/68/600628268.db2.gz SWFHPNRWDSBPJB-UHFFFAOYSA-N -2 3 391.840 2.955 20 0 GFADHL CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736868786 600633750 /nfs/dbraw/zinc/63/37/50/600633750.db2.gz AXMNGEMHCOEXAE-YUMQZZPRSA-N -2 3 382.251 2.999 20 0 GFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000607030548 600899360 /nfs/dbraw/zinc/89/93/60/600899360.db2.gz FKJIXNOKXSJVRE-UHFFFAOYSA-N -3 3 393.417 2.562 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1C(=O)[O-] ZINC000580548310 601217517 /nfs/dbraw/zinc/21/75/17/601217517.db2.gz NPDIZHMEKBHQGX-ZBFHGGJFSA-N -2 3 383.397 2.624 20 0 GFADHL COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1OC ZINC000514724603 601220623 /nfs/dbraw/zinc/22/06/23/601220623.db2.gz FUTQIGBUBGYTGO-UHFFFAOYSA-N -2 3 397.449 2.560 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCN(c3ccc(F)cc3C)C2)cc1C(=O)[O-] ZINC000832890314 601222063 /nfs/dbraw/zinc/22/20/63/601222063.db2.gz RYNBVJOVMOOESI-AWEZNQCLSA-N -2 3 396.440 2.681 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cccn3)cc2)cc1C(=O)[O-] ZINC000833029016 601224696 /nfs/dbraw/zinc/22/46/96/601224696.db2.gz WZCYUKNEHKPWKU-LLVKDONJSA-N -2 3 375.406 2.511 20 0 GFADHL C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828251989 601231654 /nfs/dbraw/zinc/23/16/54/601231654.db2.gz OZUWSBQBZICPJO-ZYHUDNBSSA-N -2 3 377.409 2.537 20 0 GFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000832795114 601282609 /nfs/dbraw/zinc/28/26/09/601282609.db2.gz UGHDKOKUUAMBOE-UHFFFAOYSA-N -2 3 379.463 2.783 20 0 GFADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c(C)o1 ZINC000761595669 601283762 /nfs/dbraw/zinc/28/37/62/601283762.db2.gz HOJPEBCTKFNMEU-UHFFFAOYSA-N -2 3 388.401 2.600 20 0 GFADHL C[C@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@H]1C(=O)[O-] ZINC000828465417 601517268 /nfs/dbraw/zinc/51/72/68/601517268.db2.gz XUOCIHMEXNOYAU-GXFFZTMASA-N -2 3 387.436 2.943 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000776575664 601611845 /nfs/dbraw/zinc/61/18/45/601611845.db2.gz TVSFMCSPTDEZOJ-LBPRGKRZSA-N -2 3 386.882 2.995 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000776575662 601611907 /nfs/dbraw/zinc/61/19/07/601611907.db2.gz TVSFMCSPTDEZOJ-GFCCVEGCSA-N -2 3 386.882 2.995 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826303860 607532321 /nfs/dbraw/zinc/53/23/21/607532321.db2.gz JIXXFCXKKYGSBQ-UHFFFAOYSA-N -2 3 399.354 2.875 20 0 GFADHL C[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000827592091 601956307 /nfs/dbraw/zinc/95/63/07/601956307.db2.gz GOTZHDFDULUQLH-SECBINFHSA-N -2 3 388.239 2.650 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739040908 601993361 /nfs/dbraw/zinc/99/33/61/601993361.db2.gz XIWNVIZRMNSYQL-RKDXNWHRSA-N -2 3 397.316 2.567 20 0 GFADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825241881 607806622 /nfs/dbraw/zinc/80/66/22/607806622.db2.gz CHTSXSATNJUWNN-UHFFFAOYSA-N -2 3 385.877 2.541 20 0 GFADHL Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)cc1F ZINC000184891917 602141696 /nfs/dbraw/zinc/14/16/96/602141696.db2.gz POIYPGHFGAILRZ-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329812 602148218 /nfs/dbraw/zinc/14/82/18/602148218.db2.gz JUOIJZMOQDTUHB-IUCAKERBSA-N -2 3 380.260 2.845 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(F)(F)F)cs1 ZINC000833302530 602213483 /nfs/dbraw/zinc/21/34/83/602213483.db2.gz MDXDQFDHXJFTEO-LBPRGKRZSA-N -2 3 379.381 2.898 20 0 GFADHL Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000832983030 602213881 /nfs/dbraw/zinc/21/38/81/602213881.db2.gz CZSZHYLXGIQXDN-UHFFFAOYSA-N -2 3 385.239 2.580 20 0 GFADHL COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1 ZINC000739760673 602645692 /nfs/dbraw/zinc/64/56/92/602645692.db2.gz JAECQQMCDUJSJQ-UHFFFAOYSA-N -2 3 394.405 2.519 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1NC(=O)[O-] ZINC000739926118 602673705 /nfs/dbraw/zinc/67/37/05/602673705.db2.gz ZIAZLVIOGNRRHH-SNVBAGLBSA-N -2 3 378.406 2.909 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3CN(C)C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000830685596 603284561 /nfs/dbraw/zinc/28/45/61/603284561.db2.gz IGBISFNNRNJFJP-HNNXBMFYSA-N -2 3 385.424 2.764 20 0 GFADHL Cc1nc(C)c(CCC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c(=O)[n-]1 ZINC000832994867 604783341 /nfs/dbraw/zinc/78/33/41/604783341.db2.gz QLGHVMPJVXGAHZ-UHFFFAOYSA-N -2 3 398.463 2.533 20 0 GFADHL O=C([O-])C1(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCOCC1 ZINC000833766353 605134887 /nfs/dbraw/zinc/13/48/87/605134887.db2.gz RXKBYFGEIZMAFS-UHFFFAOYSA-N -2 3 383.444 2.789 20 0 GFADHL CC(C)c1nc(C2([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)CCCC2)no1 ZINC000833512984 605206447 /nfs/dbraw/zinc/20/64/47/605206447.db2.gz XQQITZLERUUNAW-UHFFFAOYSA-N -2 3 397.428 2.778 20 0 GFADHL O=C([O-])N1CCSC[C@@H]1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000831413489 605328003 /nfs/dbraw/zinc/32/80/03/605328003.db2.gz BLPNLBOBFGRRFE-VIFPVBQESA-N -2 3 375.244 2.579 20 0 GFADHL O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000834078818 605423967 /nfs/dbraw/zinc/42/39/67/605423967.db2.gz VUEWTOBWLMOWDH-MRVPVSSYSA-N -2 3 386.779 2.637 20 0 GFADHL CCCCCc1nnc([N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000821061640 606665355 /nfs/dbraw/zinc/66/53/55/606665355.db2.gz RPKNRTHIJSMKHL-UHFFFAOYSA-N -2 3 379.396 2.981 20 0 GFADHL CC(C)c1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1 ZINC000820192390 606751961 /nfs/dbraw/zinc/75/19/61/606751961.db2.gz MAHXDCBSLJGHNT-UHFFFAOYSA-N -2 3 386.481 2.857 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)cc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589233 606865708 /nfs/dbraw/zinc/86/57/08/606865708.db2.gz UUCLEIZCXOXECL-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)cc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589233 606865710 /nfs/dbraw/zinc/86/57/10/606865710.db2.gz UUCLEIZCXOXECL-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000820081548 607001695 /nfs/dbraw/zinc/00/16/95/607001695.db2.gz LAWWGHNOGVWOME-UHFFFAOYSA-N -2 3 395.876 2.564 20 0 GFADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000820081548 607001697 /nfs/dbraw/zinc/00/16/97/607001697.db2.gz LAWWGHNOGVWOME-UHFFFAOYSA-N -2 3 395.876 2.564 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000822152669 607113140 /nfs/dbraw/zinc/11/31/40/607113140.db2.gz IKKGHVVHIHEHMQ-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000822152669 607113141 /nfs/dbraw/zinc/11/31/41/607113141.db2.gz IKKGHVVHIHEHMQ-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000822436207 607156051 /nfs/dbraw/zinc/15/60/51/607156051.db2.gz INWJQPNVLHWZQG-UHFFFAOYSA-N -2 3 392.510 2.939 20 0 GFADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825241881 607806621 /nfs/dbraw/zinc/80/66/21/607806621.db2.gz CHTSXSATNJUWNN-UHFFFAOYSA-N -2 3 385.877 2.541 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c1Cl ZINC000826303796 608583033 /nfs/dbraw/zinc/58/30/33/608583033.db2.gz FYGDURNGFMDWLH-UHFFFAOYSA-N -2 3 392.872 2.695 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c(O)c1 ZINC000826291687 608885429 /nfs/dbraw/zinc/88/54/29/608885429.db2.gz RAGMXNKKQPOINZ-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c(O)c1 ZINC000826291687 608885431 /nfs/dbraw/zinc/88/54/31/608885431.db2.gz RAGMXNKKQPOINZ-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1-c1nnn[n-]1 ZINC000826303760 609423529 /nfs/dbraw/zinc/42/35/29/609423529.db2.gz DGZLFGUPFQDBAW-UHFFFAOYSA-N -2 3 381.417 2.835 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1-c1nn[n-]n1 ZINC000826303760 609423530 /nfs/dbraw/zinc/42/35/30/609423530.db2.gz DGZLFGUPFQDBAW-UHFFFAOYSA-N -2 3 381.417 2.835 20 0 GFADHL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824337557 609524971 /nfs/dbraw/zinc/52/49/71/609524971.db2.gz AJTOBFUQKBJICG-UHFFFAOYSA-N -2 3 394.844 2.503 20 0 GFADHL CC(C)Cc1nnc([N-]C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000491478517 650786325 /nfs/dbraw/zinc/78/63/25/650786325.db2.gz FMWNPHWFNGZDOP-UHFFFAOYSA-N -2 3 386.499 2.659 20 0 GFADHL CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCO1 ZINC000817573493 660200972 /nfs/dbraw/zinc/20/09/72/660200972.db2.gz NNQFAQCCHWLAGC-UWVGGRQHSA-N -2 3 382.265 2.928 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1Br ZINC000826292826 660452606 /nfs/dbraw/zinc/45/26/06/660452606.db2.gz NOMRSTUYRYQBKI-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000042796661 654645223 /nfs/dbraw/zinc/64/52/23/654645223.db2.gz FHFDQFBSYJBJED-UHFFFAOYSA-N -3 3 385.781 2.551 20 0 GFADHL O=C([N-][N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc2ccccc2n1 ZINC000044253073 654655517 /nfs/dbraw/zinc/65/55/17/654655517.db2.gz OKNLPTKBNCVTME-UHFFFAOYSA-N -2 3 379.800 2.651 20 0 GFADHL Cc1cscc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000122525473 654739018 /nfs/dbraw/zinc/73/90/18/654739018.db2.gz MGOQFJUSAHCXOE-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000274997689 655210671 /nfs/dbraw/zinc/21/06/71/655210671.db2.gz NNWRRCAXTBESIS-MRVPVSSYSA-N -2 3 398.264 2.559 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cc1Cl ZINC000275335942 655230338 /nfs/dbraw/zinc/23/03/38/655230338.db2.gz USWBWAYRTUOTRW-ZETCQYMHSA-N -2 3 396.170 2.686 20 0 GFADHL O=C([N-]OCc1ccc(F)cc1Br)c1n[n-]c2ccccc2c1=O ZINC000188928408 655383252 /nfs/dbraw/zinc/38/32/52/655383252.db2.gz OSQKNADEMYPEBR-UHFFFAOYSA-N -2 3 392.184 2.686 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC2CCCCC2)[C@H](O)C(=O)[O-])sc1Cl ZINC000574772731 655430267 /nfs/dbraw/zinc/43/02/67/655430267.db2.gz CULNKSYTXXFOEC-AAEUAGOBSA-N -2 3 395.930 2.773 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000262423899 655445721 /nfs/dbraw/zinc/44/57/21/655445721.db2.gz BXGCPOYURYLRDB-SECBINFHSA-N -2 3 384.317 2.844 20 0 GFADHL CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840895723 661202245 /nfs/dbraw/zinc/20/22/45/661202245.db2.gz UBMFRFGFKXCPOW-UHFFFAOYSA-N -2 3 384.281 2.767 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc(C(=O)[O-])c1Cl ZINC000759098028 655947570 /nfs/dbraw/zinc/94/75/70/655947570.db2.gz VJVFMUGZYZYXCM-UHFFFAOYSA-N -2 3 385.825 2.519 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(F)cc1Cl ZINC000795346023 658808652 /nfs/dbraw/zinc/80/86/52/658808652.db2.gz SHJMPXFIKZUIDN-UHFFFAOYSA-N -2 3 377.752 2.911 20 0 GFADHL COCCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CC1 ZINC000844897429 661447088 /nfs/dbraw/zinc/44/70/88/661447088.db2.gz PTRNOALLTQXECK-UHFFFAOYSA-N -2 3 382.265 2.787 20 0 GFADHL CSc1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1 ZINC000852735867 661872947 /nfs/dbraw/zinc/87/29/47/661872947.db2.gz KCOUFMZEAQUUGU-OLZOCXBDSA-N -2 3 376.400 2.505 20 0 GFADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000853070572 661880764 /nfs/dbraw/zinc/88/07/64/661880764.db2.gz YTBUSZZUAMUOPS-MRVPVSSYSA-N -2 3 380.647 2.554 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c(Cl)cc1F ZINC000906819546 663973481 /nfs/dbraw/zinc/97/34/81/663973481.db2.gz QKABQOBNKKVXDL-YFKPBYRVSA-N -2 3 376.620 2.649 20 0 GFADHL CCCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@H](C)C(=O)[O-] ZINC000911709748 664254029 /nfs/dbraw/zinc/25/40/29/664254029.db2.gz NHUMXZRWYKAWLM-SECBINFHSA-N -2 3 381.226 2.616 20 0 GFADHL O=C([O-])c1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000013317460 221264674 /nfs/dbraw/zinc/26/46/74/221264674.db2.gz IQLIZEAHWCGXTP-UHFFFAOYSA-N -2 3 396.852 2.676 20 0 GFADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C(C)(C)C)s2)o1 ZINC000055977068 551175398 /nfs/dbraw/zinc/17/53/98/551175398.db2.gz YGIVZZJPQNGTPM-UHFFFAOYSA-N -2 3 386.499 2.758 20 0 GFADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cscc2C)cc1F ZINC000124882725 551318753 /nfs/dbraw/zinc/31/87/53/551318753.db2.gz WBAQMUQSIQGZQT-UHFFFAOYSA-N -2 3 378.472 2.758 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)CC(=O)[O-] ZINC000147393158 551397991 /nfs/dbraw/zinc/39/79/91/551397991.db2.gz XCAHGMFQDMIPIH-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CSC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000169131450 551634995 /nfs/dbraw/zinc/63/49/95/551634995.db2.gz RTFREKOYCUGMSK-UHFFFAOYSA-N -2 3 388.330 2.629 20 0 GFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000262428006 553170922 /nfs/dbraw/zinc/17/09/22/553170922.db2.gz RYUYSCOMUUCBBM-WCQYABFASA-N -2 3 393.889 2.675 20 0 GFADHL CCCC[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(=O)[O-] ZINC000262634435 553173335 /nfs/dbraw/zinc/17/33/35/553173335.db2.gz FYONCSZLWQDQFO-LLVKDONJSA-N -2 3 385.463 2.610 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)[C@@H]1CCOC2(CCC2)C1 ZINC000372262457 563300512 /nfs/dbraw/zinc/30/05/12/563300512.db2.gz QWZXILXJVYFAAZ-QMTHXVAHSA-N -2 3 391.848 2.560 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Br)CC(=O)[O-] ZINC000282993453 563432615 /nfs/dbraw/zinc/43/26/15/563432615.db2.gz NGAXZEOEDUJKPC-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318756788 563444102 /nfs/dbraw/zinc/44/41/02/563444102.db2.gz PLHDHCGGTCOBQO-MFKMUULPSA-N -2 3 394.262 2.900 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Br ZINC000320398799 563446115 /nfs/dbraw/zinc/44/61/15/563446115.db2.gz VHIGQJNYTJPADS-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Br ZINC000320398799 563446119 /nfs/dbraw/zinc/44/61/19/563446119.db2.gz VHIGQJNYTJPADS-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(F)cc1F ZINC000327464706 563458483 /nfs/dbraw/zinc/45/84/83/563458483.db2.gz XNYXKRXRNIECNG-UHFFFAOYSA-N -2 3 391.373 2.620 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cs1 ZINC000390014641 563522470 /nfs/dbraw/zinc/52/24/70/563522470.db2.gz PRCZZZDFHOAZIX-UHFFFAOYSA-N -2 3 375.811 2.672 20 0 GFADHL Cc1c(Br)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433526852 563615011 /nfs/dbraw/zinc/61/50/11/563615011.db2.gz XMZJWWVWTTZWNY-UHFFFAOYSA-N -3 3 386.223 2.962 20 0 GFADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436476451 563670935 /nfs/dbraw/zinc/67/09/35/563670935.db2.gz FSESDWPXVKGGMN-UHFFFAOYSA-N -2 3 375.324 2.998 20 0 GFADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc(Br)c1O ZINC000436818128 563680058 /nfs/dbraw/zinc/68/00/58/563680058.db2.gz UNSBKHKJDUVBRB-ONEGZZNKSA-N -2 3 395.209 2.765 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1Cl ZINC000540497920 564250060 /nfs/dbraw/zinc/25/00/60/564250060.db2.gz LBGVEBZKHAOQPW-UHFFFAOYSA-N -2 3 387.841 2.880 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)CC)c(F)c1 ZINC000451107693 564275882 /nfs/dbraw/zinc/27/58/82/564275882.db2.gz JEEHGQKFBPAYDD-VXGBXAGGSA-N -2 3 380.507 2.690 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000566615432 564334519 /nfs/dbraw/zinc/33/45/19/564334519.db2.gz KBCUQGYHISNFQN-PELKAZGASA-N -2 3 385.816 2.965 20 0 GFADHL C[C@H](Sc1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1)C(=O)[O-] ZINC000567091750 564357160 /nfs/dbraw/zinc/35/71/60/564357160.db2.gz CLTGROULDPMIIS-VIFPVBQESA-N -2 3 387.401 2.572 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543769056 564362623 /nfs/dbraw/zinc/36/26/23/564362623.db2.gz DLAYSKNZYAKGAS-GWCFXTLKSA-N -2 3 380.235 2.510 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(=O)[O-])sc1Cl ZINC000515530093 564482052 /nfs/dbraw/zinc/48/20/52/564482052.db2.gz LAVKSMRZKVXSJV-NSHDSACASA-N -2 3 377.846 2.823 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)sc1C(=O)[O-] ZINC000548209745 564536696 /nfs/dbraw/zinc/53/66/96/564536696.db2.gz OXKIDDAADFADBF-UHFFFAOYSA-N -2 3 378.834 2.729 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000571828524 564568393 /nfs/dbraw/zinc/56/83/93/564568393.db2.gz BZXXHZQRCVNXFP-ZDUSSCGKSA-N -2 3 382.265 2.542 20 0 GFADHL O=C([O-])c1cc(F)c(Br)cc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000572234407 564586180 /nfs/dbraw/zinc/58/61/80/564586180.db2.gz DLBPPPWELPRUBR-UHFFFAOYSA-N -2 3 394.140 2.981 20 0 GFADHL CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000572757312 564609179 /nfs/dbraw/zinc/60/91/79/564609179.db2.gz JFHUMURAPHMWHK-VFZGTOFNSA-N -2 3 387.841 2.994 20 0 GFADHL CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000572757310 564609315 /nfs/dbraw/zinc/60/93/15/564609315.db2.gz JFHUMURAPHMWHK-PSLIRLAXSA-N -2 3 387.841 2.994 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(Br)c1 ZINC000485344085 564612702 /nfs/dbraw/zinc/61/27/02/564612702.db2.gz FKODWYLFPJWCJS-QMMMGPOBSA-N -2 3 398.225 2.861 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1Br ZINC000486890737 564670221 /nfs/dbraw/zinc/67/02/21/564670221.db2.gz AQKSWUXKXUBDIO-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1Br ZINC000486890737 564670224 /nfs/dbraw/zinc/67/02/24/564670224.db2.gz AQKSWUXKXUBDIO-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL CCOC[C@H](C)CS(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000574748605 564687033 /nfs/dbraw/zinc/68/70/33/564687033.db2.gz GYMHAXQTOIHSNK-ZDUSSCGKSA-N -2 3 375.512 2.976 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000527301103 564738150 /nfs/dbraw/zinc/73/81/50/564738150.db2.gz HLCKRHHAFDAVSG-BDJLRTHQSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000555410641 564792760 /nfs/dbraw/zinc/79/27/60/564792760.db2.gz LSPGOPHXDKJEPA-CVEARBPZSA-N -2 3 389.901 2.544 20 0 GFADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2cc3ccccc3o2)ccc1F ZINC000531247001 564905709 /nfs/dbraw/zinc/90/57/09/564905709.db2.gz MZJQGQCWYWKLMM-UHFFFAOYSA-N -2 3 384.410 2.744 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)s1 ZINC000558685265 564911781 /nfs/dbraw/zinc/91/17/81/564911781.db2.gz MIZGEHIOWWZFRS-GMSGAONNSA-N -2 3 382.301 2.597 20 0 GFADHL COc1cccc(C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C(=O)[O-])c1 ZINC000560480916 564964792 /nfs/dbraw/zinc/96/47/92/564964792.db2.gz BIRLFQSGRSWPQD-NSHDSACASA-N -2 3 389.882 2.632 20 0 GFADHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1ccc(C)o1 ZINC000563067025 565054273 /nfs/dbraw/zinc/05/42/73/565054273.db2.gz FBUOPFPLQRRCJJ-CQSZACIVSA-N -2 3 387.841 2.996 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])CCCCC1 ZINC000589964795 565174884 /nfs/dbraw/zinc/17/48/84/565174884.db2.gz SETGVTAPENYNPU-UHFFFAOYSA-N -2 3 389.857 2.903 20 0 GFADHL O=C([O-])[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCC1 ZINC000663153096 565397707 /nfs/dbraw/zinc/39/77/07/565397707.db2.gz YPDHBADLYDNSOL-GFCCVEGCSA-N -2 3 393.237 2.521 20 0 GFADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C(F)(F)F ZINC000663293184 565408240 /nfs/dbraw/zinc/40/82/40/565408240.db2.gz CDXMAYUVITXBPG-SECBINFHSA-N -2 3 391.770 2.942 20 0 GFADHL O=C([O-])CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCC1 ZINC000621575022 565430924 /nfs/dbraw/zinc/43/09/24/565430924.db2.gz MACXDUPVLYBACS-UHFFFAOYSA-N -2 3 393.237 2.760 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000666157601 565524841 /nfs/dbraw/zinc/52/48/41/565524841.db2.gz KYRRZQCJMCUXSQ-ZDUSSCGKSA-N -2 3 382.251 2.676 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]Cc1nc(C(C)(C)C)cs1 ZINC000645964521 565579156 /nfs/dbraw/zinc/57/91/56/565579156.db2.gz BHKFJGDANOWGBB-UHFFFAOYSA-N -2 3 390.508 2.687 20 0 GFADHL CC(C)COc1ccc([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000645988948 565580216 /nfs/dbraw/zinc/58/02/16/565580216.db2.gz NBFPPQOQXNRHNF-NSHDSACASA-N -2 3 384.479 2.916 20 0 GFADHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000646041303 565584198 /nfs/dbraw/zinc/58/41/98/565584198.db2.gz IGGHVSZGSVQCIT-JOAKQRRISA-N -2 3 392.271 2.546 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000668140065 565629573 /nfs/dbraw/zinc/62/95/73/565629573.db2.gz GLHZYKXIJQTEEN-SFYZADRCSA-N -2 3 382.663 2.634 20 0 GFADHL O=C(Nc1ccc(Br)cc1[O-])c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000600952645 565760171 /nfs/dbraw/zinc/76/01/71/565760171.db2.gz BCKBXTVLHPMKNJ-UHFFFAOYSA-N -2 3 376.166 2.750 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000650428013 565820188 /nfs/dbraw/zinc/82/01/88/565820188.db2.gz ZDQVRXGEIUAADW-SSDOTTSWSA-N -2 3 382.663 2.634 20 0 GFADHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1)C1CC1 ZINC000629288623 565835621 /nfs/dbraw/zinc/83/56/21/565835621.db2.gz DFZULMJOHJJLJC-ZDUSSCGKSA-N -2 3 392.271 2.704 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C(=O)[O-] ZINC000629304344 565839727 /nfs/dbraw/zinc/83/97/27/565839727.db2.gz QMWNBPPQTAITNZ-NXEZZACHSA-N -2 3 394.262 2.676 20 0 GFADHL O=C([O-])C12CCC(CC1)N2C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000630324750 565895606 /nfs/dbraw/zinc/89/56/06/565895606.db2.gz LWQNCICXZVBNEP-UHFFFAOYSA-N -2 3 391.221 2.512 20 0 GFADHL COc1ccc(CN=c2[n-]nc([C@@H]3CCCO3)s2)c(Br)c1[O-] ZINC000630963649 565929109 /nfs/dbraw/zinc/92/91/09/565929109.db2.gz SMIFIQKTHAKONH-JTQLQIEISA-N -2 3 386.271 2.900 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653495167 565969506 /nfs/dbraw/zinc/96/95/06/565969506.db2.gz XHLBHZDPNDJMAS-HRDYMLBCSA-N -2 3 396.328 2.924 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1F ZINC000678479246 566011019 /nfs/dbraw/zinc/01/10/19/566011019.db2.gz RRHCCTNCMSBBOK-UHFFFAOYSA-N -2 3 384.454 2.875 20 0 GFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)C(=O)[O-])c1Cl ZINC000681570769 566113403 /nfs/dbraw/zinc/11/34/03/566113403.db2.gz NCMWCYRSASQHTN-JQWIXIFHSA-N -2 3 396.292 2.768 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C1CCC1 ZINC000656513165 566131107 /nfs/dbraw/zinc/13/11/07/566131107.db2.gz RNHVHZRXOPTIBN-LLVKDONJSA-N -2 3 382.663 2.634 20 0 GFADHL Cc1ccc2nc([N-]S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)sc2c1 ZINC000737374652 598969432 /nfs/dbraw/zinc/96/94/32/598969432.db2.gz QQVCWEGFHCWDKO-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000736634122 599098180 /nfs/dbraw/zinc/09/81/80/599098180.db2.gz IBSDYRQIEKSPGM-UHFFFAOYSA-N -2 3 396.432 2.614 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823582925 599234199 /nfs/dbraw/zinc/23/41/99/599234199.db2.gz DDAPXRZMVNEFKL-UHFFFAOYSA-N -2 3 389.199 2.508 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823582925 599234202 /nfs/dbraw/zinc/23/42/02/599234202.db2.gz DDAPXRZMVNEFKL-UHFFFAOYSA-N -2 3 389.199 2.508 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736445193 598536131 /nfs/dbraw/zinc/53/61/31/598536131.db2.gz KFOBNVSVQSAAJG-AWEZNQCLSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736445193 598536134 /nfs/dbraw/zinc/53/61/34/598536134.db2.gz KFOBNVSVQSAAJG-AWEZNQCLSA-N -2 3 393.513 2.809 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000103059349 598662571 /nfs/dbraw/zinc/66/25/71/598662571.db2.gz NQQALSSLSLUAQV-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000736487894 599313576 /nfs/dbraw/zinc/31/35/76/599313576.db2.gz JPSUBTSWIIRHKL-UHFFFAOYSA-N -2 3 390.444 2.937 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(Br)c2)o1 ZINC000740174138 599778347 /nfs/dbraw/zinc/77/83/47/599778347.db2.gz UFBFAAZXPTXXCM-QWRGUYRKSA-N -2 3 386.223 2.575 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Br)o1 ZINC000740175022 599778627 /nfs/dbraw/zinc/77/86/27/599778627.db2.gz BXBITSSKQKEZIP-NSHDSACASA-N -2 3 386.223 2.706 20 0 GFADHL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C)c3)cc2C[C@H]1C ZINC000264106715 599925841 /nfs/dbraw/zinc/92/58/41/599925841.db2.gz XTJNYFZUHCGEAB-GFCCVEGCSA-N -2 3 388.445 2.792 20 0 GFADHL COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000485074490 599926899 /nfs/dbraw/zinc/92/68/99/599926899.db2.gz OKCVOZVTULIXNR-UHFFFAOYSA-N -2 3 395.458 2.592 20 0 GFADHL Cc1nc(C)c(CCC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000738848329 600205030 /nfs/dbraw/zinc/20/50/30/600205030.db2.gz SRIWJQLBWOZDGV-UHFFFAOYSA-N -2 3 393.390 2.513 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(F)cc1Br ZINC000740088404 600241340 /nfs/dbraw/zinc/24/13/40/600241340.db2.gz VSOBMYMKSURUNW-QMMMGPOBSA-N -2 3 378.219 2.673 20 0 GFADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC000739742470 600247290 /nfs/dbraw/zinc/24/72/90/600247290.db2.gz MFRYAEJHVSEEBG-UHFFFAOYSA-N -2 3 387.417 2.527 20 0 GFADHL CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736354749 600588234 /nfs/dbraw/zinc/58/82/34/600588234.db2.gz JDKHUUGBAUCXNR-MRVPVSSYSA-N -2 3 382.251 2.857 20 0 GFADHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000041125323 600678462 /nfs/dbraw/zinc/67/84/62/600678462.db2.gz DZMOGGPYHXBXMX-UHFFFAOYSA-N -2 3 386.223 2.962 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)c1F ZINC000323954258 600990447 /nfs/dbraw/zinc/99/04/47/600990447.db2.gz PGTYNFFGASCGRR-UHFFFAOYSA-N -2 3 375.780 2.837 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3)c2)cc1C(=O)[O-] ZINC000833026715 601217061 /nfs/dbraw/zinc/21/70/61/601217061.db2.gz IQBFZYKTGLUXSO-UHFFFAOYSA-N -2 3 388.401 2.952 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCCC3)c2)cc1C(=O)[O-] ZINC000833026773 601220793 /nfs/dbraw/zinc/22/07/93/601220793.db2.gz KHTGJCMQBJQYKC-UHFFFAOYSA-N -2 3 393.465 2.540 20 0 GFADHL COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000832600850 601234030 /nfs/dbraw/zinc/23/40/30/601234030.db2.gz AHVBCZZCVHTAGU-UHFFFAOYSA-N -2 3 397.399 2.682 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Cc1cccs1 ZINC000827507172 601238173 /nfs/dbraw/zinc/23/81/73/601238173.db2.gz BWLZDSLVKFTCGL-VIFPVBQESA-N -2 3 375.418 2.882 20 0 GFADHL Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3F)c21 ZINC000832976411 601240528 /nfs/dbraw/zinc/24/05/28/601240528.db2.gz VJBCHDIRLQEGMU-UHFFFAOYSA-N -2 3 394.399 2.974 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000831779838 601323426 /nfs/dbraw/zinc/32/34/26/601323426.db2.gz UCWHPPNROKUVMW-WCIBSUBMSA-N -2 3 377.418 2.610 20 0 GFADHL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000547546998 601360148 /nfs/dbraw/zinc/36/01/48/601360148.db2.gz HBYLMTKUVQHDBM-UHFFFAOYSA-N -2 3 399.808 2.634 20 0 GFADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000832363133 601383724 /nfs/dbraw/zinc/38/37/24/601383724.db2.gz WMYOEQLRRZVNPR-UHFFFAOYSA-N -2 3 377.205 2.896 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000776575231 601613191 /nfs/dbraw/zinc/61/31/91/601613191.db2.gz OXUFKSJLFYRFNP-JTQLQIEISA-N -2 3 382.663 2.634 20 0 GFADHL CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000830966071 601828823 /nfs/dbraw/zinc/82/88/23/601828823.db2.gz XEVBCNZMKODMOS-UHFFFAOYSA-N -2 3 380.853 2.827 20 0 GFADHL CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(C(=O)[O-])c3)cc21 ZINC000532032579 601833334 /nfs/dbraw/zinc/83/33/34/601833334.db2.gz ZVGFHCFXOUAKJS-UHFFFAOYSA-N -2 3 378.381 2.554 20 0 GFADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(CC(=O)[O-])cc3)cc2F)c1 ZINC000185570943 601855626 /nfs/dbraw/zinc/85/56/26/601855626.db2.gz SHWNLUXNLGDJCJ-UHFFFAOYSA-N -2 3 389.408 2.748 20 0 GFADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761748709 601876577 /nfs/dbraw/zinc/87/65/77/601876577.db2.gz ONBIPODBXWTWLH-UHFFFAOYSA-N -2 3 382.351 2.571 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1-c1nn[n-]n1 ZINC000826303988 607533361 /nfs/dbraw/zinc/53/33/61/607533361.db2.gz PYCVQYYBTZOALX-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL CC(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000826805977 601968494 /nfs/dbraw/zinc/96/84/94/601968494.db2.gz BBCQQLZUXJJIMH-OAHLLOKOSA-N -2 3 385.482 2.561 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c1F ZINC000833294366 601996192 /nfs/dbraw/zinc/99/61/92/601996192.db2.gz BINALHLZNSLNSY-SNVBAGLBSA-N -2 3 389.763 2.728 20 0 GFADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@H](C)C1 ZINC000070112829 602155170 /nfs/dbraw/zinc/15/51/70/602155170.db2.gz YGNRDDONVDYIIH-IWSPIJDZSA-N -2 3 380.260 2.843 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C/C=C/c2ccccc2)c(Br)o1 ZINC000833305044 602156378 /nfs/dbraw/zinc/15/63/78/602156378.db2.gz UKKFYZJJVKOFQQ-QPJJXVBHSA-N -2 3 386.223 2.732 20 0 GFADHL CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000826102688 602235249 /nfs/dbraw/zinc/23/52/49/602235249.db2.gz FTBBDJHEJGCXNT-HNNXBMFYSA-N -2 3 381.388 2.544 20 0 GFADHL O=C([O-])NC1(C(=O)Nc2ccc(Br)cc2[O-])Cc2ccccc2C1 ZINC000832175575 603658873 /nfs/dbraw/zinc/65/88/73/603658873.db2.gz HBAZBUIKQMRKLK-UHFFFAOYSA-N -2 3 391.221 2.898 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-] ZINC000829969773 603838523 /nfs/dbraw/zinc/83/85/23/603838523.db2.gz BTHZAIPBOQKMQD-UHFFFAOYSA-N -3 3 376.390 2.535 20 0 GFADHL COc1ccc(OCCS(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])cc1 ZINC000829506793 604014303 /nfs/dbraw/zinc/01/43/03/604014303.db2.gz GSPZKOUOBYPBPB-UHFFFAOYSA-N -2 3 392.433 2.556 20 0 GFADHL CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000828686137 604507439 /nfs/dbraw/zinc/50/74/39/604507439.db2.gz VBQZIUMUEIFJFZ-OAHLLOKOSA-N -2 3 388.829 2.552 20 0 GFADHL CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000827021793 604513683 /nfs/dbraw/zinc/51/36/83/604513683.db2.gz JVPIQACHQDGIDQ-LBPRGKRZSA-N -2 3 391.449 2.967 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(OC)c1C(=O)[O-] ZINC000833734604 604859563 /nfs/dbraw/zinc/85/95/63/604859563.db2.gz PPOUSWUJHKTNCJ-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cn1 ZINC000834278775 606020090 /nfs/dbraw/zinc/02/00/90/606020090.db2.gz NWFURJPAPWSZQU-UHFFFAOYSA-N -2 3 376.785 2.991 20 0 GFADHL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821062281 606393719 /nfs/dbraw/zinc/39/37/19/606393719.db2.gz WFWJXTIYIWUTMX-UHFFFAOYSA-N -2 3 389.485 2.671 20 0 GFADHL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821062281 606393720 /nfs/dbraw/zinc/39/37/20/606393720.db2.gz WFWJXTIYIWUTMX-UHFFFAOYSA-N -2 3 389.485 2.671 20 0 GFADHL O=C([N-]c1nc(Cc2ccccc2)ns1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823379838 606678772 /nfs/dbraw/zinc/67/87/72/606678772.db2.gz KWBPHSDUSOVFSW-UHFFFAOYSA-N -2 3 399.386 2.840 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821042728 606745591 /nfs/dbraw/zinc/74/55/91/606745591.db2.gz GWKBYWMHCBVYJI-HNNXBMFYSA-N -2 3 393.513 2.665 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821042728 606745592 /nfs/dbraw/zinc/74/55/92/606745592.db2.gz GWKBYWMHCBVYJI-HNNXBMFYSA-N -2 3 393.513 2.665 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000821422089 606866188 /nfs/dbraw/zinc/86/61/88/606866188.db2.gz MYUNFFPOXKIZSQ-UHFFFAOYSA-N -2 3 395.391 2.653 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000821422089 606866190 /nfs/dbraw/zinc/86/61/90/606866190.db2.gz MYUNFFPOXKIZSQ-UHFFFAOYSA-N -2 3 395.391 2.653 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000821309778 607032652 /nfs/dbraw/zinc/03/26/52/607032652.db2.gz SXZBQKBKLMAGDL-UHFFFAOYSA-N -2 3 394.407 2.686 20 0 GFADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000820541929 607110577 /nfs/dbraw/zinc/11/05/77/607110577.db2.gz JZKPCZBOVKNZBG-SECBINFHSA-N -2 3 387.783 2.624 20 0 GFADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000820541929 607110578 /nfs/dbraw/zinc/11/05/78/607110578.db2.gz JZKPCZBOVKNZBG-SECBINFHSA-N -2 3 387.783 2.624 20 0 GFADHL O=S(=O)([N-]c1cccc2ncccc12)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826492748 608101447 /nfs/dbraw/zinc/10/14/47/608101447.db2.gz BAGCJELLCMZWAK-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cccc2ncccc12)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826492748 608101448 /nfs/dbraw/zinc/10/14/48/608101448.db2.gz BAGCJELLCMZWAK-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1-c1nn[n-]n1 ZINC000826304118 609156712 /nfs/dbraw/zinc/15/67/12/609156712.db2.gz XAIZFYICERJNEE-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL CCCCCC[C@@](C)(NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000825268805 609258712 /nfs/dbraw/zinc/25/87/12/609258712.db2.gz YTJTXJKXKDBXHF-ORAYPTAESA-N -2 3 389.456 2.564 20 0 GFADHL CCCCCC[C@@](C)(NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000825268805 609258714 /nfs/dbraw/zinc/25/87/14/609258714.db2.gz YTJTXJKXKDBXHF-ORAYPTAESA-N -2 3 389.456 2.564 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)c(C)c1Cl ZINC000819089223 660246058 /nfs/dbraw/zinc/24/60/58/660246058.db2.gz IFNPEUPBTJBKNC-DTWKUNHWSA-N -2 3 397.902 2.520 20 0 GFADHL O=C(CCC1CCCCC1)[N-][N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000066588527 654908667 /nfs/dbraw/zinc/90/86/67/654908667.db2.gz NZWYHCQNJCCTQL-UHFFFAOYSA-N -2 3 389.861 2.918 20 0 GFADHL N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F ZINC000326419205 655384824 /nfs/dbraw/zinc/38/48/24/655384824.db2.gz PCRAJFQCCXNNHJ-SECBINFHSA-N -2 3 384.763 2.533 20 0 GFADHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])Cc2cccc(Br)c2)n1 ZINC000579848059 655504840 /nfs/dbraw/zinc/50/48/40/655504840.db2.gz LISZTXNHKUXAQY-UHFFFAOYSA-N -2 3 380.242 2.594 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000738524916 655691162 /nfs/dbraw/zinc/69/11/62/655691162.db2.gz XDSJYRJOJLBVQU-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1cnc2ccsc2c1 ZINC000753068940 655849981 /nfs/dbraw/zinc/84/99/81/655849981.db2.gz QNLDRMHMBAYRDO-UHFFFAOYSA-N -2 3 378.332 2.553 20 0 GFADHL CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)on1 ZINC000761290064 656008122 /nfs/dbraw/zinc/00/81/22/656008122.db2.gz YOXAXQGXQRSTJQ-UHFFFAOYSA-N -2 3 379.221 2.721 20 0 GFADHL O=C(CC1(CC(=O)[N-]OCC(F)(F)F)CCCC1)[N-]OCC(F)(F)F ZINC000766766562 656182888 /nfs/dbraw/zinc/18/28/88/656182888.db2.gz AAIRJZBMRTWSCP-UHFFFAOYSA-N -2 3 380.285 2.547 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@@H]1CC1(C)C ZINC000841491611 661273017 /nfs/dbraw/zinc/27/30/17/661273017.db2.gz OKAWARODXOTEEV-JGVFFNPUSA-N -2 3 380.260 2.843 20 0 GFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000776618438 656768850 /nfs/dbraw/zinc/76/88/50/656768850.db2.gz XYJKMYCYHAJWGG-LDYMZIIASA-N -2 3 382.251 2.756 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)CC(=O)[O-] ZINC000776626738 656770909 /nfs/dbraw/zinc/77/09/09/656770909.db2.gz CZIVPEZIGULQLJ-MRVPVSSYSA-N -2 3 398.264 2.559 20 0 GFADHL CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCO1 ZINC000844895774 661446722 /nfs/dbraw/zinc/44/67/22/661446722.db2.gz WFXPSDMJLQUQFR-SECBINFHSA-N -2 3 382.265 2.928 20 0 GFADHL Cc1[n-]n(-c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(=O)c1C(C)C ZINC000899353390 663684297 /nfs/dbraw/zinc/68/42/97/663684297.db2.gz YRUNZVKLDGTCBD-CQSZACIVSA-N -2 3 378.479 2.939 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)c1 ZINC000013311263 551109036 /nfs/dbraw/zinc/10/90/36/551109036.db2.gz QMWGRFQMIDVGHL-UHFFFAOYSA-N -2 3 377.390 2.569 20 0 GFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000123915847 551309780 /nfs/dbraw/zinc/30/97/80/551309780.db2.gz PMXUNRVGOFYVCV-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230102662 553064601 /nfs/dbraw/zinc/06/46/01/553064601.db2.gz ZSEXOOIZRPJAKZ-WCQYABFASA-N -2 3 380.235 2.510 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000232293025 553066556 /nfs/dbraw/zinc/06/65/56/553066556.db2.gz WCEOKXUDHKQSTH-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000262440932 553170884 /nfs/dbraw/zinc/17/08/84/553170884.db2.gz APYAJNPPAVVXJN-VIFPVBQESA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H]1CCOC2(CCC2)C1 ZINC000372268653 563300458 /nfs/dbraw/zinc/30/04/58/563300458.db2.gz REMRUIJKUISBEL-IINYFYTJSA-N -2 3 391.848 2.560 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@H]1CCOC2(CCC2)C1 ZINC000372268654 563300543 /nfs/dbraw/zinc/30/05/43/563300543.db2.gz REMRUIJKUISBEL-QMTHXVAHSA-N -2 3 391.848 2.560 20 0 GFADHL COC(=O)c1sccc1S(=O)(=O)[N-]CCC1(CC(=O)[O-])CCCCC1 ZINC000297171723 563318243 /nfs/dbraw/zinc/31/82/43/563318243.db2.gz KLQRTDVOTATHDT-UHFFFAOYSA-N -2 3 389.495 2.628 20 0 GFADHL C[C@H](CCC[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000282971047 563431711 /nfs/dbraw/zinc/43/17/11/563431711.db2.gz LGRLUHMADPXJRV-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000326345966 563455341 /nfs/dbraw/zinc/45/53/41/563455341.db2.gz WZKCSUFNGINYRQ-QMMMGPOBSA-N -2 3 389.779 2.670 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000327435261 563457901 /nfs/dbraw/zinc/45/79/01/563457901.db2.gz PPZCIWXUSZLFJS-UHFFFAOYSA-N -2 3 383.809 2.919 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)[C@H]1OCCc2sccc21 ZINC000427248693 563463289 /nfs/dbraw/zinc/46/32/89/563463289.db2.gz HKZJMQUXDHBUNX-BJOHPYRUSA-N -2 3 385.438 2.566 20 0 GFADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427350647 563466367 /nfs/dbraw/zinc/46/63/67/563466367.db2.gz UQQFZHDQBUJFMX-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL Cc1cc(Br)c([O-])c(NC(=O)CNC(=O)c2cccc([O-])c2)c1 ZINC000428027851 563480814 /nfs/dbraw/zinc/48/08/14/563480814.db2.gz PBOQZOGYAHVPAP-UHFFFAOYSA-N -2 3 379.210 2.537 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])sc1Br ZINC000401304579 563535137 /nfs/dbraw/zinc/53/51/37/563535137.db2.gz MEHXNDORMHSQKS-QMMMGPOBSA-N -2 3 384.317 2.987 20 0 GFADHL CSc1ccccc1S(=O)(=O)[N-]c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000436012281 563662228 /nfs/dbraw/zinc/66/22/28/563662228.db2.gz HYXUANTUGRKNIH-UHFFFAOYSA-N -2 3 390.483 2.720 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1C)C(F)F ZINC000414328870 563726849 /nfs/dbraw/zinc/72/68/49/563726849.db2.gz QIVHWQXNYGAPRO-SECBINFHSA-N -2 3 386.214 2.778 20 0 GFADHL COC(C)(C)CS(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-] ZINC000416960633 563863973 /nfs/dbraw/zinc/86/39/73/563863973.db2.gz RFOAQBFYTODGFU-UHFFFAOYSA-N -2 3 380.260 2.622 20 0 GFADHL C[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000447854374 563888389 /nfs/dbraw/zinc/88/83/89/563888389.db2.gz LQWWBLFMZKYYCQ-LBPRGKRZSA-N -2 3 392.518 2.834 20 0 GFADHL CC(C)(C)[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccsc2)ccc1F ZINC000507986564 564250187 /nfs/dbraw/zinc/25/01/87/564250187.db2.gz PKWYHSJZWIOCLS-UHFFFAOYSA-N -2 3 392.499 2.765 20 0 GFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000565340131 564277284 /nfs/dbraw/zinc/27/72/84/564277284.db2.gz UCSMIRKEXXQCBC-MRVPVSSYSA-N -2 3 387.351 2.892 20 0 GFADHL COCc1nc(=NC(=O)c2[n-]nc(-c3ccccc3)c2Br)s[n-]1 ZINC000541527289 564281246 /nfs/dbraw/zinc/28/12/46/564281246.db2.gz UFKYAIFDUMPESL-UHFFFAOYSA-N -2 3 394.254 2.511 20 0 GFADHL COCc1nc(=NC(=O)c2n[n-]c(-c3ccccc3)c2Br)s[n-]1 ZINC000541527289 564281247 /nfs/dbraw/zinc/28/12/47/564281247.db2.gz UFKYAIFDUMPESL-UHFFFAOYSA-N -2 3 394.254 2.511 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1cccs1 ZINC000541909606 564294429 /nfs/dbraw/zinc/29/44/29/564294429.db2.gz RDRMTKMOIPDWQX-NSHDSACASA-N -2 3 394.243 2.754 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000566007702 564306130 /nfs/dbraw/zinc/30/61/30/564306130.db2.gz ODBVJRFNSPOLHU-MFKMUULPSA-N -2 3 391.511 2.575 20 0 GFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000509659644 564308015 /nfs/dbraw/zinc/30/80/15/564308015.db2.gz TYKWVCSJMAAOQM-UHFFFAOYSA-N -3 3 385.781 2.551 20 0 GFADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000566873814 564346486 /nfs/dbraw/zinc/34/64/86/564346486.db2.gz VOEZMRNDJBBWDX-SECBINFHSA-N -2 3 387.255 2.529 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCSC1 ZINC000567232183 564362720 /nfs/dbraw/zinc/36/27/20/564362720.db2.gz GZUCNNNRFKFBBS-CQSZACIVSA-N -2 3 375.855 2.633 20 0 GFADHL CC[C@@](C)([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)c1nccs1 ZINC000567798036 564389063 /nfs/dbraw/zinc/38/90/63/564389063.db2.gz IPVQAFUFQWMZFN-CYBMUJFWSA-N -2 3 376.481 2.515 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCC1 ZINC000568072349 564402873 /nfs/dbraw/zinc/40/28/73/564402873.db2.gz RHIMYOCJXUTNKC-UHFFFAOYSA-N -2 3 383.800 2.865 20 0 GFADHL C[C@H](c1ccc(C(=O)[O-])o1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000568522066 564423132 /nfs/dbraw/zinc/42/31/32/564423132.db2.gz PTZNTOQRGBHYSB-LLVKDONJSA-N -2 3 384.479 2.543 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1)c1ccon1 ZINC000546251757 564451111 /nfs/dbraw/zinc/45/11/11/564451111.db2.gz LFRSNKPLNQHJQD-JTQLQIEISA-N -2 3 388.829 2.611 20 0 GFADHL COC(=O)c1csc(S(=O)(=O)[N-]CCC2(CC(=O)[O-])CCCCC2)c1 ZINC000569203607 564453421 /nfs/dbraw/zinc/45/34/21/564453421.db2.gz FBQPGBGPDZYCGE-UHFFFAOYSA-N -2 3 389.495 2.628 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1cccc(F)c1 ZINC000547596667 564501086 /nfs/dbraw/zinc/50/10/86/564501086.db2.gz TVRFTKIFSBMFEL-JTQLQIEISA-N -2 3 394.243 2.754 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)CC(=O)[O-] ZINC000547612247 564502258 /nfs/dbraw/zinc/50/22/58/564502258.db2.gz JEQXZSMAHIFKTE-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)o1 ZINC000547612107 564502523 /nfs/dbraw/zinc/50/25/23/564502523.db2.gz MAQXSZCNARXIJR-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000547609690 564502647 /nfs/dbraw/zinc/50/26/47/564502647.db2.gz ZINRKEKTOVGRBN-ZDUSSCGKSA-N -2 3 379.450 2.704 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000547612670 564502727 /nfs/dbraw/zinc/50/27/27/564502727.db2.gz IBGRMGMJMHVUAK-GFCCVEGCSA-N -2 3 378.834 2.602 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)c(F)cc1F ZINC000547615110 564503120 /nfs/dbraw/zinc/50/31/20/564503120.db2.gz LWNRYVSRWJJLIT-AWEZNQCLSA-N -2 3 377.315 2.656 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)s1 ZINC000547615955 564503128 /nfs/dbraw/zinc/50/31/28/564503128.db2.gz QLNJXQRYEZBHRV-SECBINFHSA-N -2 3 396.309 2.985 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@@H](Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000547613937 564503141 /nfs/dbraw/zinc/50/31/41/564503141.db2.gz GSPDVCWPRUNHJY-NSHDSACASA-N -2 3 393.845 2.523 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])s1 ZINC000547617351 564504028 /nfs/dbraw/zinc/50/40/28/564504028.db2.gz STGPCOBNJNHYMH-GFCCVEGCSA-N -2 3 392.861 2.527 20 0 GFADHL Cc1c(Br)cc(S(=O)(=O)[N-]CC(C)(F)F)c(C)c1C(=O)[O-] ZINC000570614804 564514799 /nfs/dbraw/zinc/51/47/99/564514799.db2.gz IXOAGFDDYSXEAS-UHFFFAOYSA-N -2 3 386.214 2.698 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])cc1Cl ZINC000547889673 564516600 /nfs/dbraw/zinc/51/66/00/564516600.db2.gz QDMGXQVYAZBVGC-OCCSQVGLSA-N -2 3 382.265 2.924 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000547921615 564522029 /nfs/dbraw/zinc/52/20/29/564522029.db2.gz FZGHQJIVYALJIK-LLVKDONJSA-N -2 3 375.855 2.904 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547938059 564523752 /nfs/dbraw/zinc/52/37/52/564523752.db2.gz LUQCIYVWGWDMOT-RYUDHWBXSA-N -2 3 391.287 2.546 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000547937937 564523890 /nfs/dbraw/zinc/52/38/90/564523890.db2.gz RVYFHNSPHUEHLC-GFCCVEGCSA-N -2 3 381.878 2.910 20 0 GFADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000548238057 564541651 /nfs/dbraw/zinc/54/16/51/564541651.db2.gz VXAZZJPTDZZOQB-CQSZACIVSA-N -2 3 393.889 2.533 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]C[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000548528830 564555809 /nfs/dbraw/zinc/55/58/09/564555809.db2.gz BVEUNQLYGSAIIE-NSHDSACASA-N -2 3 389.882 2.632 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548537379 564556822 /nfs/dbraw/zinc/55/68/22/564556822.db2.gz UOVRJJQTXDZSSI-MFKMUULPSA-N -2 3 387.841 2.553 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000548540408 564557228 /nfs/dbraw/zinc/55/72/28/564557228.db2.gz MOWDBAUQESFGSA-AWEZNQCLSA-N -2 3 375.780 2.592 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1cccnc1 ZINC000548553681 564559493 /nfs/dbraw/zinc/55/94/93/564559493.db2.gz FIBKBJNIPKPWMP-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1F ZINC000548562208 564560997 /nfs/dbraw/zinc/56/09/97/564560997.db2.gz LARUGUWRXUVELW-AWEZNQCLSA-N -2 3 389.807 2.901 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C ZINC000548592839 564565398 /nfs/dbraw/zinc/56/53/98/564565398.db2.gz DYNHPPJTEXXNPQ-NSHDSACASA-N -2 3 391.873 2.684 20 0 GFADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-])C1CC1 ZINC000548867433 564578437 /nfs/dbraw/zinc/57/84/37/564578437.db2.gz JHGRXGJXGJPISD-HQJQHLMTSA-N -2 3 396.690 2.880 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000519511117 564578687 /nfs/dbraw/zinc/57/86/87/564578687.db2.gz UYHUFTDOYAMEGY-LLVKDONJSA-N -2 3 379.221 2.702 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1C(=O)[O-] ZINC000522597271 564652966 /nfs/dbraw/zinc/65/29/66/564652966.db2.gz XJCGNQLXQAMTFO-XMMPIXPASA-N -2 3 381.475 2.681 20 0 GFADHL COc1cc(S(=O)(=O)[N-]c2cc(OC)c(C(=O)[O-])cc2Cl)ccc1F ZINC000526060025 564718395 /nfs/dbraw/zinc/71/83/95/564718395.db2.gz NUUNJDXMBPTTJA-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)CC(=O)[O-] ZINC000527052068 564727789 /nfs/dbraw/zinc/72/77/89/564727789.db2.gz FESWQTFOIJTSBN-RYUDHWBXSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCC1 ZINC000579673227 564751156 /nfs/dbraw/zinc/75/11/56/564751156.db2.gz FZOZSDARXLGNEH-UHFFFAOYSA-N -2 3 393.237 2.808 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000554430769 564760277 /nfs/dbraw/zinc/76/02/77/564760277.db2.gz OJDVJTQNOHQZSJ-LBPRGKRZSA-N -2 3 399.266 2.529 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000555219084 564786630 /nfs/dbraw/zinc/78/66/30/564786630.db2.gz VZWDNDKGEQUQIW-RXMQYKEDSA-N -2 3 385.307 2.698 20 0 GFADHL Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000581189130 564792131 /nfs/dbraw/zinc/79/21/31/564792131.db2.gz WXSGETVNZKTSJE-HOCLYGCPSA-N -2 3 381.475 2.953 20 0 GFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)o1 ZINC000555695124 564802648 /nfs/dbraw/zinc/80/26/48/564802648.db2.gz ZKBFVDLMPCRNDO-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000581605752 564810195 /nfs/dbraw/zinc/81/01/95/564810195.db2.gz WMEQQYSMYXNQFL-LLVKDONJSA-N -2 3 389.495 2.615 20 0 GFADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000463375427 564878149 /nfs/dbraw/zinc/87/81/49/564878149.db2.gz HIGKQPHQCOMDNK-JTQLQIEISA-N -2 3 392.271 2.767 20 0 GFADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000463375428 564878418 /nfs/dbraw/zinc/87/84/18/564878418.db2.gz HIGKQPHQCOMDNK-SNVBAGLBSA-N -2 3 392.271 2.767 20 0 GFADHL Cc1csc(S(=O)(=O)[N-]C[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])c1 ZINC000583484638 564894083 /nfs/dbraw/zinc/89/40/83/564894083.db2.gz VMNYOQWCJUIVHM-SNVBAGLBSA-N -2 3 393.408 2.696 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1cccc(Cl)c1 ZINC000558474090 564902512 /nfs/dbraw/zinc/90/25/12/564902512.db2.gz LDZMOPMXYYUULZ-NSHDSACASA-N -2 3 394.758 2.858 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H]1CCCOC1 ZINC000583807777 564907832 /nfs/dbraw/zinc/90/78/32/564907832.db2.gz ZVLTVPOTCZHAEO-LKFCYVNXSA-N -2 3 389.882 2.713 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)s1 ZINC000558685272 564911368 /nfs/dbraw/zinc/91/13/68/564911368.db2.gz MIZGEHIOWWZFRS-XCBNKYQSSA-N -2 3 382.301 2.597 20 0 GFADHL CC(C)(C)OCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000583992678 564916341 /nfs/dbraw/zinc/91/63/41/564916341.db2.gz YHTYIFSFSGZNMK-QMMMGPOBSA-N -2 3 389.417 2.704 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000584097646 564920559 /nfs/dbraw/zinc/92/05/59/564920559.db2.gz DRMOVLLYCWOQQW-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000559151736 564924735 /nfs/dbraw/zinc/92/47/35/564924735.db2.gz DQQXDZGVAFEZDD-HIFRSBDPSA-N -2 3 393.864 2.542 20 0 GFADHL Cc1nc(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)c(C)s1 ZINC000503928802 565031120 /nfs/dbraw/zinc/03/11/20/565031120.db2.gz NFNMWIIZUSHBMY-UHFFFAOYSA-N -2 3 395.491 2.665 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1Br ZINC000504244739 565036487 /nfs/dbraw/zinc/03/64/87/565036487.db2.gz ANGFNRRCYSKRMF-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000684655511 565077457 /nfs/dbraw/zinc/07/74/57/565077457.db2.gz QGDXHHQWRXMKHD-UHFFFAOYSA-N -2 3 395.289 2.978 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000659236447 565207690 /nfs/dbraw/zinc/20/76/90/565207690.db2.gz GERYBQUSWVTGFU-RHSMWYFYSA-N -2 3 393.237 2.664 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CCC1 ZINC000663254636 565403764 /nfs/dbraw/zinc/40/37/64/565403764.db2.gz BSSJDFYUSUUOGW-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCC1 ZINC000663256324 565404181 /nfs/dbraw/zinc/40/41/81/565404181.db2.gz NDHGNUWBHCISQY-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CCc2ccc(Br)s2)oc1C(=O)[O-] ZINC000663422002 565419579 /nfs/dbraw/zinc/41/95/79/565419579.db2.gz DCJKVTIREXRLNS-UHFFFAOYSA-N -2 3 394.268 2.631 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000646060101 565584957 /nfs/dbraw/zinc/58/49/57/565584957.db2.gz BOUTZKMPWJIJSH-UHFFFAOYSA-N -2 3 379.837 2.853 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000650427502 565820602 /nfs/dbraw/zinc/82/06/02/565820602.db2.gz LBJRFQFCHOIWTC-SSDOTTSWSA-N -2 3 382.663 2.634 20 0 GFADHL COC1(C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])CCC1 ZINC000650432244 565821726 /nfs/dbraw/zinc/82/17/26/565821726.db2.gz RQEAINDHDPNEQA-GFCCVEGCSA-N -2 3 382.265 2.684 20 0 GFADHL CCO[C@@H](CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-])C1CC1 ZINC000629313621 565841458 /nfs/dbraw/zinc/84/14/58/565841458.db2.gz CBEJUTQIBRWMSN-LBPRGKRZSA-N -2 3 392.271 2.704 20 0 GFADHL O=C([O-])CC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000675952984 565921128 /nfs/dbraw/zinc/92/11/28/565921128.db2.gz MRIKXYCQPRPFEB-UHFFFAOYSA-N -2 3 393.237 2.618 20 0 GFADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-])C1CC1 ZINC000656170221 566109618 /nfs/dbraw/zinc/10/96/18/566109618.db2.gz VEYZGYSCEFXNIG-VXGBXAGGSA-N -2 3 382.265 2.540 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1cc(F)ccc1F ZINC000681567711 566113622 /nfs/dbraw/zinc/11/36/22/566113622.db2.gz ZUCCYUUZRIMMSX-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000681578146 566114838 /nfs/dbraw/zinc/11/48/38/566114838.db2.gz BRJOHNYYOVWYDX-CMPLNLGQSA-N -2 3 384.281 2.503 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656518741 566133483 /nfs/dbraw/zinc/13/34/83/566133483.db2.gz VWTUBPXABWCFCB-ZETCQYMHSA-N -2 3 382.663 2.634 20 0 GFADHL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)c2n1 ZINC000737375338 598844962 /nfs/dbraw/zinc/84/49/62/598844962.db2.gz UVNXFLBEKVYUCF-UHFFFAOYSA-N -2 3 384.396 2.663 20 0 GFADHL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)c2n1 ZINC000737375338 598844964 /nfs/dbraw/zinc/84/49/64/598844964.db2.gz UVNXFLBEKVYUCF-UHFFFAOYSA-N -2 3 384.396 2.663 20 0 GFADHL COC(=O)c1cc(C)nc2nc(SCc3ccc(C(=O)[O-])cc3)[n-]c(=O)c21 ZINC000818517138 597301923 /nfs/dbraw/zinc/30/19/23/597301923.db2.gz XCILIFGLUQUEJN-UHFFFAOYSA-N -2 3 385.401 2.816 20 0 GFADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(Cl)c1[O-] ZINC000738102813 598409658 /nfs/dbraw/zinc/40/96/58/598409658.db2.gz UAOBAVCYRSPQNW-UHFFFAOYSA-N -2 3 382.182 2.948 20 0 GFADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(Cl)c1[O-] ZINC000738102813 598409659 /nfs/dbraw/zinc/40/96/59/598409659.db2.gz UAOBAVCYRSPQNW-UHFFFAOYSA-N -2 3 382.182 2.948 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000822223808 599304036 /nfs/dbraw/zinc/30/40/36/599304036.db2.gz LEHRASSDZXPNRY-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000067899543 599739944 /nfs/dbraw/zinc/73/99/44/599739944.db2.gz XRILIEMRRPURJP-UHFFFAOYSA-N -2 3 381.475 2.856 20 0 GFADHL COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1 ZINC000564923593 599772833 /nfs/dbraw/zinc/77/28/33/599772833.db2.gz RPRDEQYMIYBMRA-UHFFFAOYSA-N -2 3 379.434 2.777 20 0 GFADHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000737688593 599801745 /nfs/dbraw/zinc/80/17/45/599801745.db2.gz MVYHRZNJYWBEMY-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1C ZINC000737714270 599906572 /nfs/dbraw/zinc/90/65/72/599906572.db2.gz RLORNZCMIDCEIB-UHFFFAOYSA-N -2 3 385.344 2.559 20 0 GFADHL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000739874034 599927013 /nfs/dbraw/zinc/92/70/13/599927013.db2.gz JRFUTGWJBXKCPH-UHFFFAOYSA-N -3 3 381.431 2.503 20 0 GFADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1OC ZINC000737227154 599932239 /nfs/dbraw/zinc/93/22/39/599932239.db2.gz ZLBVAYWSGNTZNQ-UHFFFAOYSA-N -2 3 393.421 2.799 20 0 GFADHL CCOC(=O)c1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c([O-])c1 ZINC000737155109 600730793 /nfs/dbraw/zinc/73/07/93/600730793.db2.gz ISWDYCQLFUODAI-UHFFFAOYSA-N -2 3 382.372 2.861 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000788456236 600775888 /nfs/dbraw/zinc/77/58/88/600775888.db2.gz KVNRCLXDLUYZKE-JTQLQIEISA-N -2 3 375.233 2.535 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000827761273 600800716 /nfs/dbraw/zinc/80/07/16/600800716.db2.gz WFQAIDKDCABRDU-JTQLQIEISA-N -2 3 391.380 2.613 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)c1F ZINC000833293934 601229528 /nfs/dbraw/zinc/22/95/28/601229528.db2.gz JAVYTZJXPKGHQA-UHFFFAOYSA-N -2 3 384.385 2.751 20 0 GFADHL COc1cc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)ccc1C ZINC000831983129 601238483 /nfs/dbraw/zinc/23/84/83/601238483.db2.gz LPSFVNHKROFKDE-UHFFFAOYSA-N -2 3 385.388 2.501 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1C(=O)N(C)C ZINC000466271718 601250641 /nfs/dbraw/zinc/25/06/41/601250641.db2.gz VAKJVAJPESXRES-UHFFFAOYSA-N -2 3 376.434 2.504 20 0 GFADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-] ZINC000760116699 601257451 /nfs/dbraw/zinc/25/74/51/601257451.db2.gz NVGCIZARSMXADP-UHFFFAOYSA-N -2 3 398.250 2.519 20 0 GFADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C ZINC000055674399 601325452 /nfs/dbraw/zinc/32/54/52/601325452.db2.gz ZVMWDVGSNWWTMW-UHFFFAOYSA-N -2 3 380.397 2.900 20 0 GFADHL COc1ccc(-c2cc3[n-]c(CN4C[C@H](C)[C@H](C(=O)[O-])C4)nc(=O)c3s2)cc1 ZINC000832116074 601513183 /nfs/dbraw/zinc/51/31/83/601513183.db2.gz GKGAHIBIIMZQQC-SMDDNHRTSA-N -2 3 399.472 2.813 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)ccc1Cl ZINC000032097753 601827452 /nfs/dbraw/zinc/82/74/52/601827452.db2.gz AKODJRNLIPHXMW-UHFFFAOYSA-N -2 3 398.799 2.863 20 0 GFADHL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)cc2)o1 ZINC000826329754 607535384 /nfs/dbraw/zinc/53/53/84/607535384.db2.gz QLQIXLBXVLDSOT-UHFFFAOYSA-N -2 3 396.432 2.939 20 0 GFADHL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)cc2)o1 ZINC000826329754 607535386 /nfs/dbraw/zinc/53/53/86/607535386.db2.gz QLQIXLBXVLDSOT-UHFFFAOYSA-N -2 3 396.432 2.939 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1-c1nn[n-]n1 ZINC000826303997 607536402 /nfs/dbraw/zinc/53/64/02/607536402.db2.gz QGWIBFAXNVPDIU-UHFFFAOYSA-N -2 3 385.449 2.765 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)c(Br)o1 ZINC000315752460 602148289 /nfs/dbraw/zinc/14/82/89/602148289.db2.gz RUYAGTWSJHCBLI-UWVGGRQHSA-N -2 3 386.223 2.575 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CCCCC1 ZINC000055329899 602157816 /nfs/dbraw/zinc/15/78/16/602157816.db2.gz VBRQGYFPQOWRKY-QMMMGPOBSA-N -2 3 380.260 2.987 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1NC(=O)[O-] ZINC000739924617 602819551 /nfs/dbraw/zinc/81/95/51/602819551.db2.gz CYFDKUXFHXYKBS-UHFFFAOYSA-N -2 3 393.421 2.569 20 0 GFADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830962916 603952739 /nfs/dbraw/zinc/95/27/39/603952739.db2.gz DQEHSULWVYWAFA-UHFFFAOYSA-N -2 3 393.403 2.844 20 0 GFADHL CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3[C@H](C)OC(C)(C)N3C(=O)[O-])nc2)n1 ZINC000827557006 604017331 /nfs/dbraw/zinc/01/73/31/604017331.db2.gz OXFZGUCTFATJTD-SMDDNHRTSA-N -2 3 387.440 2.722 20 0 GFADHL Cc1cc([C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])oc1C(=O)[O-] ZINC000832873685 604565246 /nfs/dbraw/zinc/56/52/46/604565246.db2.gz HVOUXKAOBVKUAB-GXTWGEPZSA-N -2 3 387.388 2.901 20 0 GFADHL CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000830100256 604817757 /nfs/dbraw/zinc/81/77/57/604817757.db2.gz ZTFYAIGIKPYWMS-UHFFFAOYSA-N -2 3 385.388 2.583 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(OC)c1C(=O)[O-] ZINC000833734617 604859517 /nfs/dbraw/zinc/85/95/17/604859517.db2.gz QDAYUWKVIJCKGF-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821128164 607112536 /nfs/dbraw/zinc/11/25/36/607112536.db2.gz QSVGHYACDDJNNF-UHFFFAOYSA-N -2 3 377.401 2.595 20 0 GFADHL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821128164 607112537 /nfs/dbraw/zinc/11/25/37/607112537.db2.gz QSVGHYACDDJNNF-UHFFFAOYSA-N -2 3 377.401 2.595 20 0 GFADHL CC1(C)CCC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000820590279 607184927 /nfs/dbraw/zinc/18/49/27/607184927.db2.gz RIXPQRAQZRTQEE-UHFFFAOYSA-N -2 3 397.888 2.541 20 0 GFADHL CC1(C)CCC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000820590279 607184928 /nfs/dbraw/zinc/18/49/28/607184928.db2.gz RIXPQRAQZRTQEE-UHFFFAOYSA-N -2 3 397.888 2.541 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1-c1nn[n-]n1 ZINC000826303930 609423608 /nfs/dbraw/zinc/42/36/08/609423608.db2.gz MYRDTZDYZLQVDX-UHFFFAOYSA-N -2 3 380.433 2.971 20 0 GFADHL O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826492996 609460159 /nfs/dbraw/zinc/46/01/59/609460159.db2.gz OALWEICPRTYERD-UHFFFAOYSA-N -2 3 390.856 2.595 20 0 GFADHL O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826492996 609460162 /nfs/dbraw/zinc/46/01/62/609460162.db2.gz OALWEICPRTYERD-UHFFFAOYSA-N -2 3 390.856 2.595 20 0 GFADHL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000824029174 609522776 /nfs/dbraw/zinc/52/27/76/609522776.db2.gz GOEGAEZYPMOBPI-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000824029174 609522778 /nfs/dbraw/zinc/52/27/78/609522778.db2.gz GOEGAEZYPMOBPI-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL Cc1c(Cl)cccc1S(=O)(=O)[N-][N-]C(=O)c1ccc2ccccc2n1 ZINC000055546242 654776095 /nfs/dbraw/zinc/77/60/95/654776095.db2.gz FXBOZGXMKAPWMN-UHFFFAOYSA-N -2 3 375.837 2.820 20 0 GFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000266819462 654895379 /nfs/dbraw/zinc/89/53/79/654895379.db2.gz YOXOIPSDCJYXGV-UHFFFAOYSA-N -2 3 387.797 2.902 20 0 GFADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)(C(=O)[O-])C1(C)C ZINC000275615819 655244012 /nfs/dbraw/zinc/24/40/12/655244012.db2.gz KNYXZLKVRYGPIC-IAQYHMDHSA-N -2 3 396.292 2.930 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCc2cccnc2)c1 ZINC000184901189 655360406 /nfs/dbraw/zinc/36/04/06/655360406.db2.gz MGKMMXWJOQHXQK-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c(Br)s1 ZINC000313406051 655380126 /nfs/dbraw/zinc/38/01/26/655380126.db2.gz UUSDBOBEKBBMRV-YFKPBYRVSA-N -2 3 390.227 2.675 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000323177102 655383468 /nfs/dbraw/zinc/38/34/68/655383468.db2.gz CKHBMGMFPWCWGT-UHFFFAOYSA-N -2 3 393.792 2.578 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC000394262995 655402345 /nfs/dbraw/zinc/40/23/45/655402345.db2.gz NIUHKYAQQWJOCY-UHFFFAOYSA-N -2 3 382.663 2.636 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(Br)c1 ZINC000398230759 655402563 /nfs/dbraw/zinc/40/25/63/655402563.db2.gz ZQQIPSKWBAVOSF-JTQLQIEISA-N -2 3 384.198 2.613 20 0 GFADHL CSCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000229036064 655423262 /nfs/dbraw/zinc/42/32/62/655423262.db2.gz KDXZLKBPSICPQW-UHFFFAOYSA-N -2 3 386.289 2.552 20 0 GFADHL CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CC1 ZINC000840895011 661202114 /nfs/dbraw/zinc/20/21/14/661202114.db2.gz GYBCIPOIORFDME-CPFSXVBKSA-N -2 3 382.265 2.783 20 0 GFADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000760105426 655969344 /nfs/dbraw/zinc/96/93/44/655969344.db2.gz XTSIQQWYQCMZPC-UHFFFAOYSA-N -2 3 382.251 2.902 20 0 GFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000764915919 656122982 /nfs/dbraw/zinc/12/29/82/656122982.db2.gz QUJSEQXYEXJCHE-LLVKDONJSA-N -2 3 398.264 2.702 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)s1 ZINC000776501576 656748781 /nfs/dbraw/zinc/74/87/81/656748781.db2.gz VBIYIOUYOWFBQX-LBPRGKRZSA-N -2 3 394.396 2.829 20 0 GFADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000780394592 657003479 /nfs/dbraw/zinc/00/34/79/657003479.db2.gz HRZVGNKLDZEBPU-UHFFFAOYSA-N -2 3 399.343 2.626 20 0 GFADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000794870291 658630097 /nfs/dbraw/zinc/63/00/97/658630097.db2.gz SLWRHYGUIWCRHU-UHFFFAOYSA-N -2 3 399.343 2.626 20 0 GFADHL CC(C)Cc1nnc([N-]C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)s1 ZINC000858691501 662119467 /nfs/dbraw/zinc/11/94/67/662119467.db2.gz YECMSBAGRMBJML-UHFFFAOYSA-N -2 3 376.360 2.760 20 0 GFADHL O=S(=O)(C[C@@H]1CCCOC1)[N-]c1c([O-])cc(Br)cc1Cl ZINC000905104981 663853629 /nfs/dbraw/zinc/85/36/29/663853629.db2.gz RUDHZFANJGENEU-MRVPVSSYSA-N -2 3 384.679 2.976 20 0 GFADHL O=C([O-])CS[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000910350002 664206440 /nfs/dbraw/zinc/20/64/40/664206440.db2.gz JOFSLZLWNRYVBM-SECBINFHSA-N -2 3 391.289 2.890 20 0 GFADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)[C@H]([C@H]2CCCO2)C1 ZINC000923160665 664623267 /nfs/dbraw/zinc/62/32/67/664623267.db2.gz UESSSBPBSJMWEA-WKPIXPDZSA-N -2 3 398.253 2.639 20 0 GFADHL CSc1nnnn1-c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000436479684 450599112 /nfs/dbraw/zinc/59/91/12/450599112.db2.gz XCIQQJWTDNOFBF-UHFFFAOYSA-N -2 3 397.869 2.544 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)sc1Br ZINC000124727561 551317016 /nfs/dbraw/zinc/31/70/16/551317016.db2.gz GLPLLHXRSGIWCJ-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)co1 ZINC000152683274 551438161 /nfs/dbraw/zinc/43/81/61/551438161.db2.gz LVOHIKNZMOFCEI-UHFFFAOYSA-N -2 3 394.396 2.936 20 0 GFADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161813894 551598924 /nfs/dbraw/zinc/59/89/24/551598924.db2.gz OQVHVWGCLLGRRJ-KOLCDFICSA-N -2 3 380.235 2.510 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000172897309 551689765 /nfs/dbraw/zinc/68/97/65/551689765.db2.gz OHUHASXRQYBLRW-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000172897172 551689902 /nfs/dbraw/zinc/68/99/02/551689902.db2.gz DBKLHKJOFIYJDI-UHFFFAOYSA-N -2 3 394.396 2.585 20 0 GFADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CN1C1CC1 ZINC000185104946 552354078 /nfs/dbraw/zinc/35/40/78/552354078.db2.gz CHORWCGEBOLRHF-IUCAKERBSA-N -2 3 393.292 2.595 20 0 GFADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000262381075 553170042 /nfs/dbraw/zinc/17/00/42/553170042.db2.gz HADGZKPYJGJKEF-UHFFFAOYSA-N -2 3 380.235 2.510 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000262396449 553170247 /nfs/dbraw/zinc/17/02/47/553170247.db2.gz NBCWVLZDUGJBBR-PGUXBMHVSA-N -2 3 393.889 2.531 20 0 GFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000684654535 565077311 /nfs/dbraw/zinc/07/73/11/565077311.db2.gz HOOODZRJCNBQFI-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)cc1C(=O)[O-] ZINC000314821315 563439748 /nfs/dbraw/zinc/43/97/48/563439748.db2.gz ZKTMJAUVNUENGL-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000424371421 563377443 /nfs/dbraw/zinc/37/74/43/563377443.db2.gz VAIZCXLUWDYGEO-UHFFFAOYSA-N -2 3 394.852 2.607 20 0 GFADHL CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000326260312 563454402 /nfs/dbraw/zinc/45/44/02/563454402.db2.gz HPNBBBWIBUQGPM-RYUDHWBXSA-N -2 3 393.914 2.999 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000401546800 563535034 /nfs/dbraw/zinc/53/50/34/563535034.db2.gz FHEVNNLNBWJCJF-LLVKDONJSA-N -2 3 382.251 2.756 20 0 GFADHL CSc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000433598755 563616451 /nfs/dbraw/zinc/61/64/51/563616451.db2.gz HWCYKBBRQCVXBI-UHFFFAOYSA-N -2 3 390.483 2.720 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)CC(C)(C)C ZINC000442782519 563779578 /nfs/dbraw/zinc/77/95/78/563779578.db2.gz QEXYHQANMASPSL-LBPRGKRZSA-N -2 3 394.534 2.938 20 0 GFADHL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443416239 563804748 /nfs/dbraw/zinc/80/47/48/563804748.db2.gz HYYYXMAEKQHUDZ-UHFFFAOYSA-N -2 3 387.458 2.516 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1OC ZINC000447795396 563886690 /nfs/dbraw/zinc/88/66/90/563886690.db2.gz OQCCCLJGRMYGMP-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000564141560 564222108 /nfs/dbraw/zinc/22/21/08/564222108.db2.gz BADGCSLWAJUNHK-YPMHNXCESA-N -2 3 393.889 2.531 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1Cl ZINC000507587252 564233604 /nfs/dbraw/zinc/23/36/04/564233604.db2.gz VYBLDXHLAIFHPF-UHFFFAOYSA-N -2 3 385.825 2.600 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1 ZINC000566176717 564314688 /nfs/dbraw/zinc/31/46/88/564314688.db2.gz LWZWLZDYPPPWHS-UHFFFAOYSA-N -2 3 387.841 2.697 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000566615433 564334322 /nfs/dbraw/zinc/33/43/22/564334322.db2.gz KBCUQGYHISNFQN-PRHODGIISA-N -2 3 385.816 2.965 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000566851104 564346935 /nfs/dbraw/zinc/34/69/35/564346935.db2.gz KOGJWCRIXFQIKP-LDYMZIIASA-N -2 3 387.351 2.748 20 0 GFADHL C[C@@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000512195589 564394411 /nfs/dbraw/zinc/39/44/11/564394411.db2.gz ZHNCFTMAGSPOEU-OLZOCXBDSA-N -2 3 392.518 2.692 20 0 GFADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-])C1CC1 ZINC000568001015 564399908 /nfs/dbraw/zinc/39/99/08/564399908.db2.gz IZOPKTVXNITMKL-JVXZTZIISA-N -2 3 396.690 2.880 20 0 GFADHL Cc1ccc([O-])c(CNc2cccc(S(=O)(=O)[N-]c3nccs3)c2)n1 ZINC000512658457 564407891 /nfs/dbraw/zinc/40/78/91/564407891.db2.gz UAAWBJMBKXBGFP-UHFFFAOYSA-N -2 3 376.463 2.965 20 0 GFADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000546265154 564452469 /nfs/dbraw/zinc/45/24/69/564452469.db2.gz FQMOPANHTPUHRX-ZDUSSCGKSA-N -2 3 388.898 2.681 20 0 GFADHL Cc1nc(CCC[N-]S(=O)(=O)c2cccc(Cl)c2F)sc1C(=O)[O-] ZINC000547557151 564494235 /nfs/dbraw/zinc/49/42/35/564494235.db2.gz IRHMYDSWNHCDJW-UHFFFAOYSA-N -2 3 392.861 2.853 20 0 GFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000547571998 564495685 /nfs/dbraw/zinc/49/56/85/564495685.db2.gz KUKMNMXKWWXMEY-SECBINFHSA-N -2 3 382.251 2.900 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])s1 ZINC000547570940 564495745 /nfs/dbraw/zinc/49/57/45/564495745.db2.gz SGBMIEGCSAXBIU-CABZTGNLSA-N -2 3 382.301 2.741 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000547609614 564502421 /nfs/dbraw/zinc/50/24/21/564502421.db2.gz UAAAONKTENYMMB-ZDUSSCGKSA-N -2 3 388.898 2.643 20 0 GFADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC000547611919 564502710 /nfs/dbraw/zinc/50/27/10/564502710.db2.gz LTTHINWIRQXVRR-CYBMUJFWSA-N -2 3 394.852 2.605 20 0 GFADHL C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000547616928 564504312 /nfs/dbraw/zinc/50/43/12/564504312.db2.gz FUQKVFIIIROASX-BZNIZROVSA-N -2 3 378.837 2.952 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])s1 ZINC000547638841 564505082 /nfs/dbraw/zinc/50/50/82/564505082.db2.gz GCCMAWDAPUUDON-ZETCQYMHSA-N -2 3 384.317 2.987 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCCOc1ccccc1C ZINC000516924670 564517028 /nfs/dbraw/zinc/51/70/28/564517028.db2.gz VGRSAPVHFIJPRY-UHFFFAOYSA-N -2 3 385.463 2.511 20 0 GFADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])cc1Cl ZINC000547900475 564518290 /nfs/dbraw/zinc/51/82/90/564518290.db2.gz RAGSKKNSRFLHLP-LBPRGKRZSA-N -2 3 394.852 2.605 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1c(F)cccc1F ZINC000547933541 564522862 /nfs/dbraw/zinc/52/28/62/564522862.db2.gz NFLFUXLTJSYPHE-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])s1 ZINC000547940805 564524120 /nfs/dbraw/zinc/52/41/20/564524120.db2.gz ANXLDARSTOCSSZ-LLVKDONJSA-N -2 3 395.289 2.733 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)sc1C(=O)[O-] ZINC000548204551 564536625 /nfs/dbraw/zinc/53/66/25/564536625.db2.gz DFEOXHQKLDNGHL-UHFFFAOYSA-N -2 3 384.410 2.822 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)c1 ZINC000548235241 564540483 /nfs/dbraw/zinc/54/04/83/564540483.db2.gz YUBNECAOVRNFPY-CYBMUJFWSA-N -2 3 392.264 2.875 20 0 GFADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)(C(=O)[O-])C1(C)C ZINC000548357565 564550291 /nfs/dbraw/zinc/55/02/91/564550291.db2.gz VVHAMIZNCUZKSQ-IUODEOHRSA-N -2 3 396.292 2.930 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000548590821 564564579 /nfs/dbraw/zinc/56/45/79/564564579.db2.gz AGPSNIYVZTZGKP-LBPRGKRZSA-N -2 3 383.413 2.535 20 0 GFADHL O=C([O-])[C@@H](CCC[N-]S(=O)(=O)c1cncc(Cl)c1)Cc1ccccc1 ZINC000573417753 564636692 /nfs/dbraw/zinc/63/66/92/564636692.db2.gz UZBMINOMKIKHSW-AWEZNQCLSA-N -2 3 382.869 2.737 20 0 GFADHL C[C@H](CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000573505849 564641416 /nfs/dbraw/zinc/64/14/16/564641416.db2.gz NEMFMHWCCNMDFS-QMMMGPOBSA-N -2 3 382.360 2.516 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)CC(=O)[O-] ZINC000527052066 564728363 /nfs/dbraw/zinc/72/83/63/564728363.db2.gz FESWQTFOIJTSBN-NEPJUHHUSA-N -2 3 393.889 2.533 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)c(Cl)c1Cl ZINC000527200336 564733580 /nfs/dbraw/zinc/73/35/80/564733580.db2.gz JWNWGFCZHAGRHA-UHFFFAOYSA-N -2 3 380.205 2.772 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000527302079 564737966 /nfs/dbraw/zinc/73/79/66/564737966.db2.gz BVFMGNXILSQJAR-NEPJUHHUSA-N -2 3 393.889 2.675 20 0 GFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000554533585 564765014 /nfs/dbraw/zinc/76/50/14/564765014.db2.gz RHLKUVYNKFOXIT-QMMMGPOBSA-N -2 3 387.351 2.892 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000555954404 564809678 /nfs/dbraw/zinc/80/96/78/564809678.db2.gz NHTCIWXLDQSVAB-CYBMUJFWSA-N -2 3 393.223 2.502 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000556415307 564825573 /nfs/dbraw/zinc/82/55/73/564825573.db2.gz AQPMAJJCDOHOEX-CPCISQLKSA-N -2 3 384.679 2.880 20 0 GFADHL CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000582742261 564859957 /nfs/dbraw/zinc/85/99/57/564859957.db2.gz AOXWDOWNWSDPBG-UHFFFAOYSA-N -2 3 378.834 2.749 20 0 GFADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-])C1CC1 ZINC000558685440 564911308 /nfs/dbraw/zinc/91/13/08/564911308.db2.gz FGBXJJXFRUBDHM-MADCSZMMSA-N -2 3 396.690 2.880 20 0 GFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)o1 ZINC000560083842 564949563 /nfs/dbraw/zinc/94/95/63/564949563.db2.gz VYUNISJPZSNTLT-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000560418764 564960912 /nfs/dbraw/zinc/96/09/12/564960912.db2.gz HNIFRWIFFNMNDG-LBPRGKRZSA-N -2 3 384.281 2.681 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(F)(F)F ZINC000560481299 564964645 /nfs/dbraw/zinc/96/46/45/564964645.db2.gz WTAXTAFRPZOXJN-SNVBAGLBSA-N -2 3 379.331 2.910 20 0 GFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000534798659 564996639 /nfs/dbraw/zinc/99/66/39/564996639.db2.gz QMKHKUPRULGMMD-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)CCC(F)(F)F)c1c(Cl)cccc1Cl ZINC000584473016 565082947 /nfs/dbraw/zinc/08/29/47/565082947.db2.gz MUIKQFCSINNFIH-SECBINFHSA-N -2 3 380.171 2.991 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c[n-]1 ZINC000585730385 565108395 /nfs/dbraw/zinc/10/83/95/565108395.db2.gz OMWGNUNBTOQUKX-UHFFFAOYSA-N -2 3 394.236 2.703 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)[n-]1 ZINC000585730385 565108399 /nfs/dbraw/zinc/10/83/99/565108399.db2.gz OMWGNUNBTOQUKX-UHFFFAOYSA-N -2 3 394.236 2.703 20 0 GFADHL C[C@H](CSCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000592447914 565276299 /nfs/dbraw/zinc/27/62/99/565276299.db2.gz HVLYLNYKXHFJGZ-MRVPVSSYSA-N -2 3 389.392 2.577 20 0 GFADHL CCOC(=O)c1ncc(NC(=O)c2cc(Br)cc(Cl)c2[O-])[n-]1 ZINC000618919406 565321920 /nfs/dbraw/zinc/32/19/20/565321920.db2.gz CTHUTIBDYRWLMJ-UHFFFAOYSA-N -2 3 388.605 2.960 20 0 GFADHL CCOC(=O)c1nc(NC(=O)c2cc(Br)cc(Cl)c2[O-])c[n-]1 ZINC000618919406 565321925 /nfs/dbraw/zinc/32/19/25/565321925.db2.gz CTHUTIBDYRWLMJ-UHFFFAOYSA-N -2 3 388.605 2.960 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CCC1 ZINC000663255247 565403777 /nfs/dbraw/zinc/40/37/77/565403777.db2.gz HKCGZTLIDMKECU-SNVBAGLBSA-N -2 3 396.690 2.882 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000629298120 565838455 /nfs/dbraw/zinc/83/84/55/565838455.db2.gz ZEMNPXAKXLPTBS-QMMMGPOBSA-N -2 3 382.251 2.676 20 0 GFADHL CCC(CC)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000675087599 565891212 /nfs/dbraw/zinc/89/12/12/565891212.db2.gz FQTZAOWHMWNZNY-UHFFFAOYSA-N -2 3 381.226 2.664 20 0 GFADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-])C1CC1 ZINC000656170217 566109501 /nfs/dbraw/zinc/10/95/01/566109501.db2.gz VEYZGYSCEFXNIG-NEPJUHHUSA-N -2 3 382.265 2.540 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000681569853 566113812 /nfs/dbraw/zinc/11/38/12/566113812.db2.gz ALACYSZLACRKIO-NSHDSACASA-N -2 3 389.882 2.947 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(F)cc1F ZINC000681575726 566114225 /nfs/dbraw/zinc/11/42/25/566114225.db2.gz QXIXDXJTYXOILV-LBPRGKRZSA-N -2 3 377.315 2.737 20 0 GFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656511275 566130057 /nfs/dbraw/zinc/13/00/57/566130057.db2.gz RCOHZBLUAXBSGC-NSHDSACASA-N -2 3 384.679 2.880 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000737226687 598949369 /nfs/dbraw/zinc/94/93/69/598949369.db2.gz YQXSYRRPLUWHMO-UHFFFAOYSA-N -2 3 387.469 2.678 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000737226687 598949370 /nfs/dbraw/zinc/94/93/70/598949370.db2.gz YQXSYRRPLUWHMO-UHFFFAOYSA-N -2 3 387.469 2.678 20 0 GFADHL O=S(=O)([N-]c1ccc(F)cc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738342160 598950931 /nfs/dbraw/zinc/95/09/31/598950931.db2.gz NCVUWODQZKSCSV-UHFFFAOYSA-N -2 3 389.412 2.595 20 0 GFADHL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(Br)c1[O-] ZINC000736822013 598384217 /nfs/dbraw/zinc/38/42/17/598384217.db2.gz KBGKMBIKLCYLJR-UHFFFAOYSA-N -2 3 388.225 2.607 20 0 GFADHL O=S(=O)([N-]c1nc(Cc2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738339964 598438810 /nfs/dbraw/zinc/43/88/10/598438810.db2.gz RTXFMUCTYOUQLK-UHFFFAOYSA-N -2 3 398.473 2.715 20 0 GFADHL O=S(=O)([N-]c1nc(Cc2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738339964 598438812 /nfs/dbraw/zinc/43/88/12/598438812.db2.gz RTXFMUCTYOUQLK-UHFFFAOYSA-N -2 3 398.473 2.715 20 0 GFADHL C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2-c2nnn[n-]2)C1 ZINC000820727723 599300263 /nfs/dbraw/zinc/30/02/63/599300263.db2.gz OEIBZFGMJRAQPW-AXFHLTTASA-N -2 3 387.465 2.659 20 0 GFADHL C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820727723 599300267 /nfs/dbraw/zinc/30/02/67/599300267.db2.gz OEIBZFGMJRAQPW-AXFHLTTASA-N -2 3 387.465 2.659 20 0 GFADHL COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c(C(=O)[O-])cc1OC ZINC000517979263 599938569 /nfs/dbraw/zinc/93/85/69/599938569.db2.gz SORNGWQRINXEIN-JTQLQIEISA-N -2 3 393.417 2.526 20 0 GFADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000392267738 600105077 /nfs/dbraw/zinc/10/50/77/600105077.db2.gz YQWLXYWREZTWOM-UHFFFAOYSA-N -2 3 384.841 2.670 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c1C(=O)[O-] ZINC000738744808 600179449 /nfs/dbraw/zinc/17/94/49/600179449.db2.gz OLIQZQQEOZMIBN-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738997934 600309349 /nfs/dbraw/zinc/30/93/49/600309349.db2.gz ZEGAONGYNYHFTQ-UHFFFAOYSA-N -2 3 381.392 2.571 20 0 GFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000063180378 600482647 /nfs/dbraw/zinc/48/26/47/600482647.db2.gz MICNHQLCWAOXPP-UHFFFAOYSA-N -3 3 385.781 2.551 20 0 GFADHL COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)ccc1F ZINC000066587799 600543821 /nfs/dbraw/zinc/54/38/21/600543821.db2.gz IPVKQHPRMKLLOB-UHFFFAOYSA-N -2 3 398.368 2.512 20 0 GFADHL CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(C(=O)[O-])cc3)cs2)o1 ZINC000738175425 600551367 /nfs/dbraw/zinc/55/13/67/600551367.db2.gz MDCRDLWQHQUCET-UHFFFAOYSA-N -2 3 392.414 2.757 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000267142230 600626249 /nfs/dbraw/zinc/62/62/49/600626249.db2.gz FRZGUWCUDFPYMU-QGZVFWFLSA-N -2 3 391.445 2.672 20 0 GFADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2F)c1 ZINC000605496480 600636157 /nfs/dbraw/zinc/63/61/57/600636157.db2.gz SQKVLGPJBXZSKR-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL COCCN(CCC(=O)[O-])Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000737795396 600641430 /nfs/dbraw/zinc/64/14/30/600641430.db2.gz DUWJELJLXUUTAI-UHFFFAOYSA-N -2 3 377.422 2.580 20 0 GFADHL COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000519215736 600816450 /nfs/dbraw/zinc/81/64/50/600816450.db2.gz ZXRPBMCQZCHVLB-UHFFFAOYSA-N -2 3 377.418 2.600 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCn2ccc3ccccc32)c1F ZINC000833293956 600991796 /nfs/dbraw/zinc/99/17/96/600991796.db2.gz JOLCNLQHUUCKNT-UHFFFAOYSA-N -2 3 394.399 2.986 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ncc(-c3ccccc3)o2)cc1C(=O)[O-] ZINC000833027736 601222725 /nfs/dbraw/zinc/22/27/25/601222725.db2.gz JATKBDZJHFRHMJ-JTQLQIEISA-N -2 3 376.390 2.981 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])sc1Br ZINC000127330271 601256488 /nfs/dbraw/zinc/25/64/88/601256488.db2.gz OKRZELSVCGSEPJ-VIFPVBQESA-N -2 3 384.317 2.844 20 0 GFADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Br)s2)CCCCC1 ZINC000084147300 601265773 /nfs/dbraw/zinc/26/57/73/601265773.db2.gz VHTBZGPYDROEMK-UHFFFAOYSA-N -2 3 382.301 2.967 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)ccc1F ZINC000055663581 601325430 /nfs/dbraw/zinc/32/54/30/601325430.db2.gz ABCQSTZJWUJZOK-UHFFFAOYSA-N -2 3 396.371 2.591 20 0 GFADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000832874259 601329358 /nfs/dbraw/zinc/32/93/58/601329358.db2.gz JFISLNKDGIGCDM-YVMONPNESA-N -3 3 375.402 2.900 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000438728143 601334600 /nfs/dbraw/zinc/33/46/00/601334600.db2.gz YBWRKLRBQDLGRP-UHFFFAOYSA-N -3 3 379.390 2.591 20 0 GFADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)C2CC2)n1 ZINC000185064924 601580581 /nfs/dbraw/zinc/58/05/81/601580581.db2.gz RHCCWXDJEFFAMS-ZDUSSCGKSA-N -2 3 388.417 2.858 20 0 GFADHL CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000159930698 602160629 /nfs/dbraw/zinc/16/06/29/602160629.db2.gz JKHWTDGWIUONLD-SSDOTTSWSA-N -2 3 386.289 2.550 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)[O-])CC3)c(C)c1 ZINC000739930897 602490789 /nfs/dbraw/zinc/49/07/89/602490789.db2.gz BMSYRGSGNRYHOR-UHFFFAOYSA-N -2 3 376.434 2.841 20 0 GFADHL O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000832485036 603130492 /nfs/dbraw/zinc/13/04/92/603130492.db2.gz ZTXJFVJBJIRIDU-GZMMTYOYSA-N -2 3 384.351 2.559 20 0 GFADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000832140905 603143776 /nfs/dbraw/zinc/14/37/76/603143776.db2.gz ONQBJFHDIBKYNY-GFCCVEGCSA-N -2 3 390.248 2.676 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N(C)CC(C)(C)CNC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000830687874 603521094 /nfs/dbraw/zinc/52/10/94/603521094.db2.gz YINCKGGCFCXZDW-UHFFFAOYSA-N -2 3 387.440 2.915 20 0 GFADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000825907783 604789389 /nfs/dbraw/zinc/78/93/89/604789389.db2.gz CQMTXYBGLUYKBX-UHFFFAOYSA-N -2 3 397.431 2.766 20 0 GFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000833749702 604944043 /nfs/dbraw/zinc/94/40/43/604944043.db2.gz SALBFDJBTLXHGK-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000833522916 605041049 /nfs/dbraw/zinc/04/10/49/605041049.db2.gz HDENIPRRUZWNQD-JTQLQIEISA-N -2 3 391.380 2.613 20 0 GFADHL O=C([O-])N1CCSC[C@H]1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000831415275 605882383 /nfs/dbraw/zinc/88/23/83/605882383.db2.gz YXRGCBNSTLELAL-SECBINFHSA-N -2 3 375.244 2.579 20 0 GFADHL O=S(=O)([N-]c1cnccc1-c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823589094 606601757 /nfs/dbraw/zinc/60/17/57/606601757.db2.gz MVYKNBQHBOTZMM-UHFFFAOYSA-N -2 3 396.407 2.869 20 0 GFADHL O=S(=O)([N-]c1cnccc1-c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589094 606601758 /nfs/dbraw/zinc/60/17/58/606601758.db2.gz MVYKNBQHBOTZMM-UHFFFAOYSA-N -2 3 396.407 2.869 20 0 GFADHL Cc1ccc(C=CS(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000822233172 606622066 /nfs/dbraw/zinc/62/20/66/606622066.db2.gz IZMYZKFJYGKJKW-MDZDMXLPSA-N -2 3 387.469 2.539 20 0 GFADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000819835213 606788127 /nfs/dbraw/zinc/78/81/27/606788127.db2.gz TVTDROPVKGDAFO-UHFFFAOYSA-N -2 3 395.803 2.663 20 0 GFADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000819835213 606788129 /nfs/dbraw/zinc/78/81/29/606788129.db2.gz TVTDROPVKGDAFO-UHFFFAOYSA-N -2 3 395.803 2.663 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000822258926 606864826 /nfs/dbraw/zinc/86/48/26/606864826.db2.gz HQFWFARPPZHBJI-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000822258926 606864827 /nfs/dbraw/zinc/86/48/27/606864827.db2.gz HQFWFARPPZHBJI-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589215 606867283 /nfs/dbraw/zinc/86/72/83/606867283.db2.gz TVZGNUVDXKXUQI-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589215 606867285 /nfs/dbraw/zinc/86/72/85/606867285.db2.gz TVZGNUVDXKXUQI-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821127203 607112584 /nfs/dbraw/zinc/11/25/84/607112584.db2.gz CTDOKYZLJJGEEW-UHFFFAOYSA-N -2 3 395.391 2.735 20 0 GFADHL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821127203 607112586 /nfs/dbraw/zinc/11/25/86/607112586.db2.gz CTDOKYZLJJGEEW-UHFFFAOYSA-N -2 3 395.391 2.735 20 0 GFADHL O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493213 607849255 /nfs/dbraw/zinc/84/92/55/607849255.db2.gz ZEPQSPICNKFTHX-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493213 607849256 /nfs/dbraw/zinc/84/92/56/607849256.db2.gz ZEPQSPICNKFTHX-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL O=S(=O)([N-]c1ncccc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493476 608161212 /nfs/dbraw/zinc/16/12/12/608161212.db2.gz MGCPIAASMRUDPY-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL O=S(=O)([N-]c1ncccc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493476 608161214 /nfs/dbraw/zinc/16/12/14/608161214.db2.gz MGCPIAASMRUDPY-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000824324610 608525912 /nfs/dbraw/zinc/52/59/12/608525912.db2.gz ROIBDHNHSGZCCZ-UHFFFAOYSA-N -2 3 394.844 2.503 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000824087620 609330290 /nfs/dbraw/zinc/33/02/90/609330290.db2.gz ZPFUHLWMDWHDEU-NSHDSACASA-N -2 3 395.382 2.651 20 0 GFADHL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824319370 609422489 /nfs/dbraw/zinc/42/24/89/609422489.db2.gz NNUGIFYQUWRLIG-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)ccc21 ZINC000068215944 654957935 /nfs/dbraw/zinc/95/79/35/654957935.db2.gz WJXDKQCEWJEZCD-UHFFFAOYSA-N -2 3 384.385 2.686 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])s2)cs1 ZINC000275332029 655229928 /nfs/dbraw/zinc/22/99/28/655229928.db2.gz UHYKJDPVEDGFDU-ZETCQYMHSA-N -2 3 382.435 2.567 20 0 GFADHL N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000326419206 655384871 /nfs/dbraw/zinc/38/48/71/655384871.db2.gz PCRAJFQCCXNNHJ-VIFPVBQESA-N -2 3 384.763 2.533 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])Oc1ccccc1Cl ZINC000574873395 655432664 /nfs/dbraw/zinc/43/26/64/655432664.db2.gz AXQNZVGENPPQMQ-SECBINFHSA-N -2 3 390.870 2.631 20 0 GFADHL Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)C2CC2)n1 ZINC000580070200 655507816 /nfs/dbraw/zinc/50/78/16/655507816.db2.gz TYMLTAQXFBNBKL-OAHLLOKOSA-N -2 3 384.454 2.647 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br)C(F)F ZINC000840889733 661199531 /nfs/dbraw/zinc/19/95/31/661199531.db2.gz HKSPDKPLHIFWHC-QMMMGPOBSA-N -2 3 386.214 2.778 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C2CC2)c(Br)o1 ZINC000840896322 661202999 /nfs/dbraw/zinc/20/29/99/661202999.db2.gz HUJBBAFVSSEHHJ-ZJUUUORDSA-N -2 3 392.271 2.845 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]Cc2cccs2)s1 ZINC000761237572 656004347 /nfs/dbraw/zinc/00/43/47/656004347.db2.gz CUQXBEKHHGCBHL-UHFFFAOYSA-N -2 3 382.282 2.749 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc(Cl)c1Cl ZINC000761901226 656023877 /nfs/dbraw/zinc/02/38/77/656023877.db2.gz RAHNORFINSHTKX-UHFFFAOYSA-N -2 3 387.204 2.764 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc(Cl)c1Cl ZINC000761901226 656023880 /nfs/dbraw/zinc/02/38/80/656023880.db2.gz RAHNORFINSHTKX-UHFFFAOYSA-N -2 3 387.204 2.764 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@H]1CC1(C)C ZINC000841491612 661272869 /nfs/dbraw/zinc/27/28/69/661272869.db2.gz OKAWARODXOTEEV-SFYZADRCSA-N -2 3 380.260 2.843 20 0 GFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3nc(Cl)cnc3c2)c1 ZINC000776444665 656741826 /nfs/dbraw/zinc/74/18/26/656741826.db2.gz DZLRKPLZXQQIFK-UHFFFAOYSA-N -2 3 381.772 2.921 20 0 GFADHL O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776595389 656764502 /nfs/dbraw/zinc/76/45/02/656764502.db2.gz BHRKHJYYJDZYLU-LLVKDONJSA-N -2 3 393.223 2.502 20 0 GFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788443557 657719361 /nfs/dbraw/zinc/71/93/61/657719361.db2.gz YGJUAPRMUOAWHG-VXNVDRBHSA-N -2 3 397.902 2.664 20 0 GFADHL O=C(CCCC(=O)Nc1nc(Cl)ccc1[O-])Nc1nc(Cl)ccc1[O-] ZINC000790047816 657919422 /nfs/dbraw/zinc/91/94/22/657919422.db2.gz PEDFNENGUPGWQS-UHFFFAOYSA-N -2 3 385.207 2.942 20 0 GFADHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790399504 657969108 /nfs/dbraw/zinc/96/91/08/657969108.db2.gz POAAIIQOPPVCOB-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL CO[C@@](C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CC1 ZINC000812459168 660027280 /nfs/dbraw/zinc/02/72/80/660027280.db2.gz WHMCRVPCBARXRR-AWEZNQCLSA-N -2 3 382.265 2.785 20 0 GFADHL CC[C@H](CSC)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871933345 662743594 /nfs/dbraw/zinc/74/35/94/662743594.db2.gz MEOVHXILPQGNPL-ZCFIWIBFSA-N -2 3 388.330 2.629 20 0 GFADHL O=C([O-])[C@@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3csc(-c4ccccc4)n3)[C@@H]2C1 ZINC000903537788 663787731 /nfs/dbraw/zinc/78/77/31/663787731.db2.gz BCQMPBQAAGUEEU-SYQHCUMBSA-N -2 3 378.475 2.588 20 0 GFADHL CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000908022951 664077922 /nfs/dbraw/zinc/07/79/22/664077922.db2.gz DRPGLWUNAIJNTP-CQSZACIVSA-N -2 3 395.253 2.910 20 0 GFADHL O=C([O-])CS[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000910351547 664207164 /nfs/dbraw/zinc/20/71/64/664207164.db2.gz OFYBMGGGOZROCJ-LBPRGKRZSA-N -2 3 383.363 2.719 20 0 GFADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)[C@@H]([C@H]2CCCO2)C1 ZINC000923160664 664623284 /nfs/dbraw/zinc/62/32/84/664623284.db2.gz UESSSBPBSJMWEA-VCTAVGKDSA-N -2 3 398.253 2.639 20 0 GFADHL Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000550111445 450599274 /nfs/dbraw/zinc/59/92/74/450599274.db2.gz QGVYJFWVHHQMQK-UHFFFAOYSA-N -2 3 382.869 2.991 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1C)C(F)F ZINC000414328872 563726805 /nfs/dbraw/zinc/72/68/05/563726805.db2.gz QIVHWQXNYGAPRO-VIFPVBQESA-N -2 3 386.214 2.778 20 0 GFADHL CSc1nc(C)c(CCC(=O)Nc2cc(Br)ccc2[O-])c(=O)[n-]1 ZINC000126517107 551331071 /nfs/dbraw/zinc/33/10/71/551331071.db2.gz BHIVNPDUFURDFJ-UHFFFAOYSA-N -2 3 398.282 2.840 20 0 GFADHL COc1ccc(Br)cc1S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-] ZINC000547639983 564505049 /nfs/dbraw/zinc/50/50/49/564505049.db2.gz XCWRJLGLJCMCAE-VIFPVBQESA-N -2 3 394.287 2.625 20 0 GFADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000421410043 563309352 /nfs/dbraw/zinc/30/93/52/563309352.db2.gz TYJDXCQQJVWQKY-SNVBAGLBSA-N -2 3 383.388 2.985 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]CCCC(F)(F)F)cc1C(=O)[O-] ZINC000282163462 563400222 /nfs/dbraw/zinc/40/02/22/563400222.db2.gz LJWFUVCOSJPTDC-UHFFFAOYSA-N -2 3 375.752 2.668 20 0 GFADHL C[C@@H](CCC[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000282971049 563431854 /nfs/dbraw/zinc/43/18/54/563431854.db2.gz LGRLUHMADPXJRV-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1Cl ZINC000326517354 563455223 /nfs/dbraw/zinc/45/52/23/563455223.db2.gz OETIPSMDTMVKHD-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)CC(=O)[O-] ZINC000380176893 563514572 /nfs/dbraw/zinc/51/45/72/563514572.db2.gz CCINKNMYQXZSSU-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000391788690 563525509 /nfs/dbraw/zinc/52/55/09/563525509.db2.gz XSQQCISDQKDSCE-CYBMUJFWSA-N -2 3 390.244 2.673 20 0 GFADHL NC(=O)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(Cl)cc1Cl ZINC000436476032 563671265 /nfs/dbraw/zinc/67/12/65/563671265.db2.gz IIANWPULHSHAFM-UHFFFAOYSA-N -2 3 395.245 2.653 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000436994578 563687487 /nfs/dbraw/zinc/68/74/87/563687487.db2.gz NISQNGUSOWOFIF-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1)C(F)F ZINC000414320154 563726136 /nfs/dbraw/zinc/72/61/36/563726136.db2.gz BGZGBOJGSNMUDD-NSHDSACASA-N -2 3 385.816 2.906 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc(C(=O)[O-])c1C ZINC000471117514 564185869 /nfs/dbraw/zinc/18/58/69/564185869.db2.gz VSENTXCYGVZOJJ-UHFFFAOYSA-N -2 3 382.825 2.555 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1F ZINC000509629564 564306560 /nfs/dbraw/zinc/30/65/60/564306560.db2.gz VKZJULVUAWKEKJ-UHFFFAOYSA-N -2 3 377.752 2.882 20 0 GFADHL C[C@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000566173683 564314525 /nfs/dbraw/zinc/31/45/25/564314525.db2.gz OIKIJUPVGUAQFM-SECBINFHSA-N -2 3 377.340 2.906 20 0 GFADHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000567125616 564358370 /nfs/dbraw/zinc/35/83/70/564358370.db2.gz DIPLIKFYELMUKB-GFCCVEGCSA-N -2 3 380.388 2.802 20 0 GFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000569642732 564472200 /nfs/dbraw/zinc/47/22/00/564472200.db2.gz BVVILQSPTMVXDJ-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL O=S(=O)([N-]Cc1ncccc1[O-])c1cc(Cl)c(Br)cc1F ZINC000480752642 564486594 /nfs/dbraw/zinc/48/65/94/564486594.db2.gz HEHQUTCYFXEECV-UHFFFAOYSA-N -2 3 395.637 2.821 20 0 GFADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547551645 564493472 /nfs/dbraw/zinc/49/34/72/564493472.db2.gz GWNIBMZBKVWWEL-IAQYHMDHSA-N -2 3 383.853 2.651 20 0 GFADHL Cc1sc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000547594200 564500270 /nfs/dbraw/zinc/50/02/70/564500270.db2.gz MJSRPXZAIQKNJM-LLVKDONJSA-N -2 3 388.398 2.598 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)ccc1[O-] ZINC000481606506 564517613 /nfs/dbraw/zinc/51/76/13/564517613.db2.gz JQPGQDPUGOGQSI-UHFFFAOYSA-N -2 3 378.435 2.603 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1c(F)cccc1F ZINC000547932415 564523008 /nfs/dbraw/zinc/52/30/08/564523008.db2.gz BYOVNXVNCJEHMC-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)CC(=O)[O-] ZINC000547935635 564523342 /nfs/dbraw/zinc/52/33/42/564523342.db2.gz LJMYVMNMYKIHSZ-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)s1 ZINC000548196544 564534906 /nfs/dbraw/zinc/53/49/06/564534906.db2.gz OFSQHXHIFBDACC-SECBINFHSA-N -2 3 396.309 2.985 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c(C)c1 ZINC000548216822 564537402 /nfs/dbraw/zinc/53/74/02/564537402.db2.gz NOBNYGISBBGFAT-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000548260261 564544749 /nfs/dbraw/zinc/54/47/49/564544749.db2.gz VMHMRWDSQTVXSC-GHMZBOCLSA-N -2 3 391.873 2.684 20 0 GFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548552367 564559513 /nfs/dbraw/zinc/55/95/13/564559513.db2.gz QLGCHNHSQYSVFM-SECBINFHSA-N -2 3 382.251 2.900 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)c(Cl)c1Cl ZINC000548589653 564565008 /nfs/dbraw/zinc/56/50/08/564565008.db2.gz BLIBLWNKUNBGQD-UHFFFAOYSA-N -2 3 380.205 2.772 20 0 GFADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-])C1CC1 ZINC000548867582 564578540 /nfs/dbraw/zinc/57/85/40/564578540.db2.gz PTPWCVFAVFAASW-JMCQJSRRSA-N -2 3 396.690 2.880 20 0 GFADHL C[C@@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000484776610 564598092 /nfs/dbraw/zinc/59/80/92/564598092.db2.gz ATBOMHSMQIDZFF-RISCZKNCSA-N -2 3 392.518 2.690 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)CCCC1 ZINC000520297926 564600830 /nfs/dbraw/zinc/60/08/30/564600830.db2.gz AWDGADJRLIYLBQ-UHFFFAOYSA-N -2 3 387.479 2.582 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Br)c1 ZINC000486823833 564667367 /nfs/dbraw/zinc/66/73/67/564667367.db2.gz NGNVWUMHENTFCU-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Br)c1 ZINC000486823833 564667368 /nfs/dbraw/zinc/66/73/68/564667368.db2.gz NGNVWUMHENTFCU-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1Br ZINC000486818064 564667488 /nfs/dbraw/zinc/66/74/88/564667488.db2.gz DQUDVEWGHHIULY-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1Br ZINC000486818064 564667490 /nfs/dbraw/zinc/66/74/90/564667490.db2.gz DQUDVEWGHHIULY-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000487337770 564683648 /nfs/dbraw/zinc/68/36/48/564683648.db2.gz LQWWBLFMZKYYCQ-GFCCVEGCSA-N -2 3 392.518 2.834 20 0 GFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000575411927 564698636 /nfs/dbraw/zinc/69/86/36/564698636.db2.gz PWBGKHUSNWWZMC-NSHDSACASA-N -2 3 384.679 2.880 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000527051426 564727950 /nfs/dbraw/zinc/72/79/50/564727950.db2.gz IFXFOROIXMZQSX-SNVBAGLBSA-N -2 3 398.359 2.714 20 0 GFADHL CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)CCO1 ZINC000577175368 564728048 /nfs/dbraw/zinc/72/80/48/564728048.db2.gz UWIOVCFBSDHUAT-RYUDHWBXSA-N -2 3 391.511 2.717 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)sc1C ZINC000580308737 564755355 /nfs/dbraw/zinc/75/53/55/564755355.db2.gz SUWOLIXONWVQMM-UHFFFAOYSA-N -2 3 394.396 2.955 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CCC1 ZINC000554430144 564760504 /nfs/dbraw/zinc/76/05/04/564760504.db2.gz FZFYPYBIZBMKFC-UHFFFAOYSA-N -2 3 399.266 2.531 20 0 GFADHL COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)C2)cc1F ZINC000580904718 564778724 /nfs/dbraw/zinc/77/87/24/564778724.db2.gz YFYZLGVRAWETQK-UMSPYCQHSA-N -2 3 385.438 2.819 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)CC(=O)[O-] ZINC000555316857 564790095 /nfs/dbraw/zinc/79/00/95/564790095.db2.gz MFLHEHVPJPPEAL-NSHDSACASA-N -2 3 375.874 2.908 20 0 GFADHL C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000581427451 564802139 /nfs/dbraw/zinc/80/21/39/564802139.db2.gz SLVZHVBVAYLNLF-QMMMGPOBSA-N -2 3 394.396 2.770 20 0 GFADHL CCO[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)C(C)C ZINC000581486304 564803972 /nfs/dbraw/zinc/80/39/72/564803972.db2.gz FFGKQIYVZYKDQF-ZDUSSCGKSA-N -2 3 393.889 2.776 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000555773770 564803975 /nfs/dbraw/zinc/80/39/75/564803975.db2.gz MRRSBCKEPNOACT-ZDUSSCGKSA-N -2 3 380.491 2.641 20 0 GFADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000582358467 564842497 /nfs/dbraw/zinc/84/24/97/564842497.db2.gz YBKZCPGGIRQIQP-CQSZACIVSA-N -2 3 377.871 2.713 20 0 GFADHL O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000559153587 564924864 /nfs/dbraw/zinc/92/48/64/564924864.db2.gz YDGAHCKTUYJCJK-CABCVRRESA-N -2 3 393.864 2.542 20 0 GFADHL O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000559151737 564924913 /nfs/dbraw/zinc/92/49/13/564924913.db2.gz DQQXDZGVAFEZDD-UKRRQHHQSA-N -2 3 393.864 2.542 20 0 GFADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c3ccccc3Cl)cn21 ZINC000561093513 564984094 /nfs/dbraw/zinc/98/40/94/564984094.db2.gz HFLWRTMKSGNKAI-MEBBXXQBSA-N -2 3 383.857 2.538 20 0 GFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000562378783 565026654 /nfs/dbraw/zinc/02/66/54/565026654.db2.gz SNOXQEWRWVNBJC-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000469907022 565031673 /nfs/dbraw/zinc/03/16/73/565031673.db2.gz MSRJXQUGVBGJSB-OAHLLOKOSA-N -2 3 375.874 2.906 20 0 GFADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000504293007 565037424 /nfs/dbraw/zinc/03/74/24/565037424.db2.gz IERYQPNWHHMEGR-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000562939625 565048632 /nfs/dbraw/zinc/04/86/32/565048632.db2.gz MCCMKWWJQCOPQJ-LURJTMIESA-N -2 3 397.705 2.625 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000659236449 565207968 /nfs/dbraw/zinc/20/79/68/565207968.db2.gz GERYBQUSWVTGFU-YOEHRIQHSA-N -2 3 393.237 2.664 20 0 GFADHL C[C@H](CSCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000592447886 565276725 /nfs/dbraw/zinc/27/67/25/565276725.db2.gz HEUHVINGDSBJAB-MRVPVSSYSA-N -2 3 389.392 2.577 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)s1 ZINC000663254642 565403725 /nfs/dbraw/zinc/40/37/25/565403725.db2.gz LNVJVAXMSVFROJ-VIFPVBQESA-N -2 3 382.301 2.598 20 0 GFADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000663293274 565408337 /nfs/dbraw/zinc/40/83/37/565408337.db2.gz CUEKTHCGYVBUGK-SSDOTTSWSA-N -2 3 377.743 2.801 20 0 GFADHL CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)nc1C ZINC000663294697 565409136 /nfs/dbraw/zinc/40/91/36/565409136.db2.gz YBYYOQXXMFOBFM-CYBMUJFWSA-N -2 3 392.264 2.622 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CCc2ccccc2C(F)(F)F)oc1C(=O)[O-] ZINC000663419132 565419614 /nfs/dbraw/zinc/41/96/14/565419614.db2.gz OTVHXWJIAJHBPA-UHFFFAOYSA-N -2 3 377.340 2.826 20 0 GFADHL O=S(=O)([N-]CCNCc1cccc([O-])c1Cl)c1ccc(Cl)s1 ZINC000645169312 565514138 /nfs/dbraw/zinc/51/41/38/565514138.db2.gz ZTDJTBLCCNWJKN-UHFFFAOYSA-N -2 3 381.306 2.829 20 0 GFADHL COC1(C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])CCC1 ZINC000650431846 565821368 /nfs/dbraw/zinc/82/13/68/565821368.db2.gz FKHDUDRDQDKXAT-LLVKDONJSA-N -2 3 382.265 2.684 20 0 GFADHL CCO[C@H](CS(=O)(=O)[N-]c1cc(Br)ccc1C(=O)[O-])C1CC1 ZINC000629289115 565835591 /nfs/dbraw/zinc/83/55/91/565835591.db2.gz CQMULVVLCGUPOP-CYBMUJFWSA-N -2 3 392.271 2.704 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1C)CC(=O)[O-] ZINC000629296237 565837159 /nfs/dbraw/zinc/83/71/59/565837159.db2.gz RDXIHFDHNVJIGG-SECBINFHSA-N -2 3 382.251 2.676 20 0 GFADHL CCO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br)C1CC1 ZINC000629294253 565837322 /nfs/dbraw/zinc/83/73/22/565837322.db2.gz VWUOVJBVEHRVPX-ZDUSSCGKSA-N -2 3 392.271 2.704 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653493912 565969519 /nfs/dbraw/zinc/96/95/19/565969519.db2.gz KIUAIBOYNQSXKU-ADEWGFFLSA-N -2 3 375.874 2.762 20 0 GFADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000656181584 566111607 /nfs/dbraw/zinc/11/16/07/566111607.db2.gz UOKUWPLCTPHZPQ-DTWKUNHWSA-N -2 3 387.401 2.533 20 0 GFADHL CSc1nc([N-]S(=O)(=O)Cc2cccc(Br)c2C)n[n-]1 ZINC000656182291 566111732 /nfs/dbraw/zinc/11/17/32/566111732.db2.gz ZICVDOLBARWQOB-UHFFFAOYSA-N -2 3 377.289 2.539 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000681569124 566113450 /nfs/dbraw/zinc/11/34/50/566113450.db2.gz XUWMYFITNWPHBE-GFCCVEGCSA-N -2 3 394.396 2.829 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1cc(F)ccc1F ZINC000681567710 566113640 /nfs/dbraw/zinc/11/36/40/566113640.db2.gz ZUCCYUUZRIMMSX-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC000656512128 566130075 /nfs/dbraw/zinc/13/00/75/566130075.db2.gz GGJYKFYDLAUULD-LBPRGKRZSA-N -2 3 384.679 2.882 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](CC)C(=O)[O-] ZINC000656511661 566130098 /nfs/dbraw/zinc/13/00/98/566130098.db2.gz XOLBBOJBAHFBLS-SNVBAGLBSA-N -2 3 394.287 2.627 20 0 GFADHL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736627272 598843163 /nfs/dbraw/zinc/84/31/63/598843163.db2.gz YMLJMQKONFEQMV-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736627272 598843164 /nfs/dbraw/zinc/84/31/64/598843164.db2.gz YMLJMQKONFEQMV-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000736646437 598843352 /nfs/dbraw/zinc/84/33/52/598843352.db2.gz GUHCJHRDINRTFM-UHFFFAOYSA-N -2 3 397.819 2.859 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000736646437 598843353 /nfs/dbraw/zinc/84/33/53/598843353.db2.gz GUHCJHRDINRTFM-UHFFFAOYSA-N -2 3 397.819 2.859 20 0 GFADHL Cc1c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822130543 607255414 /nfs/dbraw/zinc/25/54/14/607255414.db2.gz VCMJCYCQFXJFCI-UHFFFAOYSA-N -2 3 399.354 2.875 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC(C)C ZINC000737280518 599098547 /nfs/dbraw/zinc/09/85/47/599098547.db2.gz LMNOTSXQSSJCEJ-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OC(C)C ZINC000737280518 599098549 /nfs/dbraw/zinc/09/85/49/599098549.db2.gz LMNOTSXQSSJCEJ-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736448254 599220646 /nfs/dbraw/zinc/22/06/46/599220646.db2.gz VYCYMUYIIHFZQX-CQSZACIVSA-N -2 3 393.513 2.977 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736448254 599220648 /nfs/dbraw/zinc/22/06/48/599220648.db2.gz VYCYMUYIIHFZQX-CQSZACIVSA-N -2 3 393.513 2.977 20 0 GFADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737326981 598548467 /nfs/dbraw/zinc/54/84/67/598548467.db2.gz VZFGFBQUJAEROF-UHFFFAOYSA-N -2 3 395.391 2.886 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1OCCCC(=O)[O-] ZINC000060360533 599768251 /nfs/dbraw/zinc/76/82/51/599768251.db2.gz BWEWLUJEPIBCRI-UHFFFAOYSA-N -3 3 393.417 2.738 20 0 GFADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCCCCC(=O)[O-] ZINC000737839593 599772230 /nfs/dbraw/zinc/77/22/30/599772230.db2.gz MJKULBMUMCQLTF-UHFFFAOYSA-N -2 3 398.250 2.520 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(Br)ccc32)o1 ZINC000740175636 599773880 /nfs/dbraw/zinc/77/38/80/599773880.db2.gz QFFORRDQXMCBFK-LLVKDONJSA-N -2 3 386.223 2.706 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(Br)c2)o1 ZINC000740174134 599778634 /nfs/dbraw/zinc/77/86/34/599778634.db2.gz UFBFAAZXPTXXCM-GHMZBOCLSA-N -2 3 386.223 2.575 20 0 GFADHL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C)c3)cc2C[C@@H]1C ZINC000264106718 599925779 /nfs/dbraw/zinc/92/57/79/599925779.db2.gz XTJNYFZUHCGEAB-LBPRGKRZSA-N -2 3 388.445 2.792 20 0 GFADHL O=C([O-])c1ccc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)c(F)c1 ZINC000740161912 600201927 /nfs/dbraw/zinc/20/19/27/600201927.db2.gz UTMRRRZHWRVJBV-UHFFFAOYSA-N -2 3 379.337 2.834 20 0 GFADHL CC(C)Oc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1-c1nnn[n-]1 ZINC000820170144 607448598 /nfs/dbraw/zinc/44/85/98/607448598.db2.gz SEDVWUUVVFCNOK-UHFFFAOYSA-N -2 3 390.403 2.748 20 0 GFADHL CC(C)Oc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1-c1nn[n-]n1 ZINC000820170144 607448600 /nfs/dbraw/zinc/44/86/00/607448600.db2.gz SEDVWUUVVFCNOK-UHFFFAOYSA-N -2 3 390.403 2.748 20 0 GFADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000274919559 600709199 /nfs/dbraw/zinc/70/91/99/600709199.db2.gz MRHOEDAHDWITRP-NSHDSACASA-N -2 3 392.264 2.530 20 0 GFADHL CN1CCc2c(cccc2[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000737528674 600891805 /nfs/dbraw/zinc/89/18/05/600891805.db2.gz BMLLXEASEWZJCN-UHFFFAOYSA-N -2 3 380.853 2.827 20 0 GFADHL COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737631434 600894292 /nfs/dbraw/zinc/89/42/92/600894292.db2.gz NJMYHQAZSHHRRP-UHFFFAOYSA-N -2 3 392.433 2.692 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000569413657 600899378 /nfs/dbraw/zinc/89/93/78/600899378.db2.gz QBYRVUZTGSMTQT-UHFFFAOYSA-N -3 3 377.418 2.856 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1C(=O)[O-] ZINC000327236968 601117426 /nfs/dbraw/zinc/11/74/26/601117426.db2.gz LKGOOLYWSKXODL-UHFFFAOYSA-N -2 3 399.837 2.852 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c1F ZINC000833293685 601234416 /nfs/dbraw/zinc/23/44/16/601234416.db2.gz CUUMCDKCTDVCGC-UHFFFAOYSA-N -2 3 394.355 2.797 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)c1F ZINC000833294360 601236460 /nfs/dbraw/zinc/23/64/60/601236460.db2.gz QYKOTXHKWHWZAB-UHFFFAOYSA-N -2 3 393.770 2.977 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2)c1F ZINC000833294742 601237578 /nfs/dbraw/zinc/23/75/78/601237578.db2.gz GYKMVVNIMVOKEE-GFCCVEGCSA-N -2 3 396.415 2.610 20 0 GFADHL COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832600953 601238602 /nfs/dbraw/zinc/23/86/02/601238602.db2.gz CAZLMHWJHPHRFJ-RDTXWAMCSA-N -2 3 397.399 2.680 20 0 GFADHL Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832972938 601239659 /nfs/dbraw/zinc/23/96/59/601239659.db2.gz MIHNAIDLOXFYTO-LLVKDONJSA-N -2 3 385.388 2.717 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C ZINC000013032993 601320083 /nfs/dbraw/zinc/32/00/83/601320083.db2.gz MABIRWNPIUAKQC-NSHDSACASA-N -2 3 390.417 2.522 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])cc1C(=O)[O-] ZINC000476410622 601334810 /nfs/dbraw/zinc/33/48/10/601334810.db2.gz MPPOAYPRIOOIMO-UHFFFAOYSA-N -3 3 379.390 2.509 20 0 GFADHL C[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000827747296 601385123 /nfs/dbraw/zinc/38/51/23/601385123.db2.gz KYCQTYZCPXLRJZ-LBPRGKRZSA-N -2 3 393.465 2.996 20 0 GFADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831084558 601387548 /nfs/dbraw/zinc/38/75/48/601387548.db2.gz NCLBPMFTEDEGSA-OAHLLOKOSA-N -2 3 397.836 2.539 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc(F)c1F ZINC000751146562 601834189 /nfs/dbraw/zinc/83/41/89/601834189.db2.gz NYAPMYMUXJIXFC-UHFFFAOYSA-N -2 3 379.344 2.650 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000832868659 601861865 /nfs/dbraw/zinc/86/18/65/601861865.db2.gz QXXMJMIQGFNATN-UHFFFAOYSA-N -3 3 393.417 2.738 20 0 GFADHL COc1ccc(-c2nc(SCc3nccs3)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181761 607530731 /nfs/dbraw/zinc/53/07/31/607530731.db2.gz MVTNFUFJGGUJBY-UHFFFAOYSA-N -2 3 399.461 2.787 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[O-])cc2)n1 ZINC000740054235 601910370 /nfs/dbraw/zinc/91/03/70/601910370.db2.gz JVYNUZUQUXEARN-XIRDDKMYSA-N -2 3 396.447 2.995 20 0 GFADHL C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329809 602147951 /nfs/dbraw/zinc/14/79/51/602147951.db2.gz JUOIJZMOQDTUHB-RKDXNWHRSA-N -2 3 380.260 2.845 20 0 GFADHL O=C([O-])N1CC[C@@H](CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000740498037 602455369 /nfs/dbraw/zinc/45/53/69/602455369.db2.gz RHHHKKNVWQFYLG-SECBINFHSA-N -2 3 384.351 2.513 20 0 GFADHL O=C([O-])NCC1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC1 ZINC000740620212 602564863 /nfs/dbraw/zinc/56/48/63/602564863.db2.gz NCUMMUZOIWSDEJ-UHFFFAOYSA-N -2 3 384.351 2.703 20 0 GFADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1 ZINC000739492117 602645249 /nfs/dbraw/zinc/64/52/49/602645249.db2.gz BLJUYEQRNZBIAD-UHFFFAOYSA-N -2 3 380.422 2.993 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)NCC[C@@H]3CCN(C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740206946 602689412 /nfs/dbraw/zinc/68/94/12/602689412.db2.gz HXUYSCIMGCETFJ-CYBMUJFWSA-N -2 3 385.424 2.669 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCC[C@H]3CNC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000830685897 603284686 /nfs/dbraw/zinc/28/46/86/603284686.db2.gz LAIIHUJGHRWEHZ-DZGCQCFKSA-N -2 3 385.424 2.715 20 0 GFADHL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000829193138 603483555 /nfs/dbraw/zinc/48/35/55/603483555.db2.gz YFPHZBZFSRAHIP-UHFFFAOYSA-N -2 3 388.771 2.871 20 0 GFADHL Cc1cc([C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])oc1C(=O)[O-] ZINC000832873691 604565230 /nfs/dbraw/zinc/56/52/30/604565230.db2.gz HVOUXKAOBVKUAB-JSGCOSHPSA-N -2 3 387.388 2.901 20 0 GFADHL CC(C)c1nc(C2([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])CCCC2)no1 ZINC000833511777 604690523 /nfs/dbraw/zinc/69/05/23/604690523.db2.gz DEWNBWBSKHUAAF-UHFFFAOYSA-N -2 3 397.428 2.778 20 0 GFADHL COC(=O)c1cccc2[n-]c(NC(=O)Cn3cc(C(=O)[O-])c4ccccc43)nc21 ZINC000833716650 605058992 /nfs/dbraw/zinc/05/89/92/605058992.db2.gz PFTUCSWPVORFSX-UHFFFAOYSA-N -2 3 392.371 2.641 20 0 GFADHL CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833475033 605076202 /nfs/dbraw/zinc/07/62/02/605076202.db2.gz GSKUXHZKPGYNGP-MRVPVSSYSA-N -2 3 382.251 2.999 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3C(=O)[O-])CCCCC2)no1 ZINC000833755587 605171227 /nfs/dbraw/zinc/17/12/27/605171227.db2.gz SYYSSSMNUDPSAF-UHFFFAOYSA-N -2 3 399.856 2.868 20 0 GFADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000821486581 606209901 /nfs/dbraw/zinc/20/99/01/606209901.db2.gz HKIGLTQNDISEBA-UHFFFAOYSA-N -2 3 379.829 2.589 20 0 GFADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000821486581 606209903 /nfs/dbraw/zinc/20/99/03/606209903.db2.gz HKIGLTQNDISEBA-UHFFFAOYSA-N -2 3 379.829 2.589 20 0 GFADHL O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1ccc([O-])c(Cl)c1 ZINC000823154546 606593803 /nfs/dbraw/zinc/59/38/03/606593803.db2.gz FXZITYBNQRMMHL-UHFFFAOYSA-N -2 3 398.854 2.625 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c(F)cc1F ZINC000822211784 606611621 /nfs/dbraw/zinc/61/16/21/606611621.db2.gz OKPUQSUBAOLWNB-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c(F)cc1F ZINC000822211784 606611622 /nfs/dbraw/zinc/61/16/22/606611622.db2.gz OKPUQSUBAOLWNB-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL O=C([N-]c1nc(-c2ccccc2)ns1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823376101 606673004 /nfs/dbraw/zinc/67/30/04/606673004.db2.gz WYMHCFYUELHKGC-UHFFFAOYSA-N -2 3 385.359 2.916 20 0 GFADHL CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820881804 606745770 /nfs/dbraw/zinc/74/57/70/606745770.db2.gz DCEWZNKTQXINMO-CYBMUJFWSA-N -2 3 399.476 2.640 20 0 GFADHL CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820881804 606745773 /nfs/dbraw/zinc/74/57/73/606745773.db2.gz DCEWZNKTQXINMO-CYBMUJFWSA-N -2 3 399.476 2.640 20 0 GFADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000822239749 606751078 /nfs/dbraw/zinc/75/10/78/606751078.db2.gz CHOFMBXFTUNRMU-UHFFFAOYSA-N -2 3 392.872 2.695 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000821308502 607032593 /nfs/dbraw/zinc/03/25/93/607032593.db2.gz BXSXACLNNLZWNR-UHFFFAOYSA-N -2 3 398.370 2.517 20 0 GFADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1-c1ccccc1 ZINC000826322619 607984925 /nfs/dbraw/zinc/98/49/25/607984925.db2.gz UOXVTCARXXKEMO-UHFFFAOYSA-N -2 3 399.411 2.505 20 0 GFADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1-c1ccccc1 ZINC000826322619 607984926 /nfs/dbraw/zinc/98/49/26/607984926.db2.gz UOXVTCARXXKEMO-UHFFFAOYSA-N -2 3 399.411 2.505 20 0 GFADHL O=S(=O)([N-]c1cccnc1Nc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826493081 608012529 /nfs/dbraw/zinc/01/25/29/608012529.db2.gz SCAGRTDIGOSZIR-UHFFFAOYSA-N -2 3 393.432 2.806 20 0 GFADHL CSc1ccc(C)c([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000826230140 608582349 /nfs/dbraw/zinc/58/23/49/608582349.db2.gz GGPJCKFEOVWOQT-UHFFFAOYSA-N -2 3 397.432 2.976 20 0 GFADHL CSc1ccc(C)c([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000826230140 608582350 /nfs/dbraw/zinc/58/23/50/608582350.db2.gz GGPJCKFEOVWOQT-UHFFFAOYSA-N -2 3 397.432 2.976 20 0 GFADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ccc(Cl)cc1[O-] ZINC000826458265 609290210 /nfs/dbraw/zinc/29/02/10/609290210.db2.gz JULNTHKYCMKJPX-UHFFFAOYSA-N -2 3 399.773 2.803 20 0 GFADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc(Cl)cc1[O-] ZINC000826458265 609290212 /nfs/dbraw/zinc/29/02/12/609290212.db2.gz JULNTHKYCMKJPX-UHFFFAOYSA-N -2 3 399.773 2.803 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000833026797 660804838 /nfs/dbraw/zinc/80/48/38/660804838.db2.gz LFOCASRYPVRFLH-UHFFFAOYSA-N -2 3 378.431 2.888 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000837291131 660983053 /nfs/dbraw/zinc/98/30/53/660983053.db2.gz HPWXHCVGFRVJOD-QMMMGPOBSA-N -2 3 398.264 2.559 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccsc1 ZINC000061363633 654838519 /nfs/dbraw/zinc/83/85/19/654838519.db2.gz PYOQMAKIANOUOE-ZCFIWIBFSA-N -2 3 380.241 2.841 20 0 GFADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c1 ZINC000064374544 654867495 /nfs/dbraw/zinc/86/74/95/654867495.db2.gz LLQZDBYBTGEERM-UHFFFAOYSA-N -2 3 385.825 2.785 20 0 GFADHL O=C([N-][N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1F ZINC000181280748 655334483 /nfs/dbraw/zinc/33/44/83/655334483.db2.gz MUNXQNFWVDJYQD-UHFFFAOYSA-N -2 3 397.737 2.516 20 0 GFADHL Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000735026003 655638118 /nfs/dbraw/zinc/63/81/18/655638118.db2.gz CCDRTGWEEFPFHZ-XMMPIXPASA-N -2 3 385.438 2.512 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC1CCCC1 ZINC000776554146 656757092 /nfs/dbraw/zinc/75/70/92/656757092.db2.gz ALWZZURYGNOMAK-JTQLQIEISA-N -2 3 381.281 2.948 20 0 GFADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)(CC(=O)[O-])C1 ZINC000776626603 656770841 /nfs/dbraw/zinc/77/08/41/656770841.db2.gz OHGFMLDGXGWWNJ-LKFCYVNXSA-N -2 3 381.281 2.948 20 0 GFADHL CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)[C@H]2CCO[C@H]21 ZINC000844896893 661446866 /nfs/dbraw/zinc/44/68/66/661446866.db2.gz ZKIQFGILBLHSEF-BZHVJNSISA-N -2 3 394.276 2.783 20 0 GFADHL COc1cnc([C@H]2CCCN2C(=O)c2cc(Br)ccc2[O-])[n-]c1=O ZINC000889794953 663267509 /nfs/dbraw/zinc/26/75/09/663267509.db2.gz SPRGFFNXEOXJTD-LLVKDONJSA-N -2 3 394.225 2.636 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)CCS2 ZINC000899949996 663703951 /nfs/dbraw/zinc/70/39/51/663703951.db2.gz VCUDETZWDKDROT-UQACVICXSA-N -2 3 393.889 2.886 20 0 GFADHL O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000908366643 664102319 /nfs/dbraw/zinc/10/23/19/664102319.db2.gz GLGIMCYZIVRODP-KOLCDFICSA-N -2 3 393.237 2.664 20 0 GFADHL CCCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCC1 ZINC000391759812 677409460 /nfs/dbraw/zinc/40/94/60/677409460.db2.gz VFONAIPWMATXCN-UHFFFAOYSA-N -2 3 380.260 2.989 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000013456338 551109033 /nfs/dbraw/zinc/10/90/33/551109033.db2.gz OSCAHNVTEZYRAV-UHFFFAOYSA-N -2 3 381.353 2.823 20 0 GFADHL CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n[n-]1 ZINC000127179997 551337588 /nfs/dbraw/zinc/33/75/88/551337588.db2.gz BMLKKVPVAWPXRB-UHFFFAOYSA-N -2 3 377.344 2.547 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCC1 ZINC000164934414 551627492 /nfs/dbraw/zinc/62/74/92/551627492.db2.gz BLQJWIGTHUZRJZ-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000179592076 552197271 /nfs/dbraw/zinc/19/72/71/552197271.db2.gz SDIOJWOBPYLABF-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000229518925 553064303 /nfs/dbraw/zinc/06/43/03/553064303.db2.gz KDTOEYBKVLCMBI-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)o1 ZINC000236472303 553069190 /nfs/dbraw/zinc/06/91/90/553069190.db2.gz VQILTRMBFDPIDC-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)o1 ZINC000291909218 563764218 /nfs/dbraw/zinc/76/42/18/563764218.db2.gz LWWSHWYJSZLVBA-UHFFFAOYSA-N -2 3 390.820 2.905 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(Cl)c2)c1 ZINC000538298454 564187599 /nfs/dbraw/zinc/18/75/99/564187599.db2.gz LEFUAJNXRZYUIZ-UHFFFAOYSA-N -2 3 384.841 2.557 20 0 GFADHL CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000564326606 564228748 /nfs/dbraw/zinc/22/87/48/564228748.db2.gz KYCLIYXNAFHWDW-UHFFFAOYSA-N -2 3 393.889 2.656 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCCOc2ccccc21 ZINC000565538170 564285365 /nfs/dbraw/zinc/28/53/65/564285365.db2.gz PKZAFWSRNCHWPX-LLVKDONJSA-N -2 3 383.447 2.647 20 0 GFADHL Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451286087 564295956 /nfs/dbraw/zinc/29/59/56/564295956.db2.gz MQILHIIVIXPGLZ-SNVBAGLBSA-N -2 3 381.397 2.793 20 0 GFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000542234197 564305896 /nfs/dbraw/zinc/30/58/96/564305896.db2.gz QAMYWKVGHPYIDP-UHFFFAOYSA-N -2 3 375.324 2.969 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1F ZINC000542232483 564306129 /nfs/dbraw/zinc/30/61/29/564306129.db2.gz SWAZWKXCIZJTRQ-UHFFFAOYSA-N -2 3 375.324 2.969 20 0 GFADHL COCCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)CCC1 ZINC000566558406 564332386 /nfs/dbraw/zinc/33/23/86/564332386.db2.gz BLMVDFSUYPSJBG-UHFFFAOYSA-N -2 3 391.873 2.532 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000566597478 564333351 /nfs/dbraw/zinc/33/33/51/564333351.db2.gz VANZRYGZKMAAGH-MFKMUULPSA-N -2 3 385.335 2.646 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C1CCCCC1 ZINC000567809973 564390117 /nfs/dbraw/zinc/39/01/17/564390117.db2.gz HNUIEHUBCUSOBB-LBPRGKRZSA-N -2 3 380.388 2.802 20 0 GFADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-])C1CC1 ZINC000568001014 564399852 /nfs/dbraw/zinc/39/98/52/564399852.db2.gz IZOPKTVXNITMKL-JMCQJSRRSA-N -2 3 396.690 2.880 20 0 GFADHL Cc1csc(S(=O)(=O)[N-][C@H]2CCCN(c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000569082190 564448164 /nfs/dbraw/zinc/44/81/64/564448164.db2.gz NXEAKEICUZXDNK-AWEZNQCLSA-N -2 3 380.491 2.702 20 0 GFADHL CCCC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000546745736 564466442 /nfs/dbraw/zinc/46/64/42/564466442.db2.gz LCZNYJZIMXGLPV-GFCCVEGCSA-N -2 3 381.226 2.664 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1cccs1 ZINC000547544363 564492228 /nfs/dbraw/zinc/49/22/28/564492228.db2.gz VMQQIADCEBVVBU-ZDUSSCGKSA-N -2 3 380.472 2.976 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])sc1Br ZINC000547561635 564494009 /nfs/dbraw/zinc/49/40/09/564494009.db2.gz BBXVUDGYGHHWJV-UHFFFAOYSA-N -2 3 384.317 2.988 20 0 GFADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000547563979 564494844 /nfs/dbraw/zinc/49/48/44/564494844.db2.gz XZVSNIUXQPEGOX-NSHDSACASA-N -2 3 397.758 2.926 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)CC(=O)[O-] ZINC000547612248 564502715 /nfs/dbraw/zinc/50/27/15/564502715.db2.gz JEQXZSMAHIFKTE-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])ccc1C ZINC000547870440 564513962 /nfs/dbraw/zinc/51/39/62/564513962.db2.gz WYYPWBSEPRYULV-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)cc1Cl ZINC000547932414 564522530 /nfs/dbraw/zinc/52/25/30/564522530.db2.gz BYBGVHDWZDLEJV-UHFFFAOYSA-N -2 3 382.265 2.925 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547938060 564523818 /nfs/dbraw/zinc/52/38/18/564523818.db2.gz LUQCIYVWGWDMOT-VXGBXAGGSA-N -2 3 391.287 2.546 20 0 GFADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000548250445 564543481 /nfs/dbraw/zinc/54/34/81/564543481.db2.gz YFXXIMSDZRALNX-JTQLQIEISA-N -2 3 389.392 2.719 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000548264891 564545326 /nfs/dbraw/zinc/54/53/26/564545326.db2.gz QYNOJNAFXFCPAA-MNOVXSKESA-N -2 3 391.873 2.684 20 0 GFADHL O=C([O-])[C@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1ccccc1F ZINC000548264817 564545792 /nfs/dbraw/zinc/54/57/92/564545792.db2.gz RHTCXLFBCURFTH-ZDUSSCGKSA-N -2 3 375.780 2.592 20 0 GFADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000548357921 564550376 /nfs/dbraw/zinc/55/03/76/564550376.db2.gz KAQJKUNUFSSEKV-SWLSCSKDSA-N -2 3 396.292 2.930 20 0 GFADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c1O ZINC000548525984 564555749 /nfs/dbraw/zinc/55/57/49/564555749.db2.gz NSVKTPFYVMWNQX-UHFFFAOYSA-N -2 3 386.223 2.795 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000548540409 564557083 /nfs/dbraw/zinc/55/70/83/564557083.db2.gz MOWDBAUQESFGSA-CQSZACIVSA-N -2 3 375.780 2.592 20 0 GFADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-] ZINC000548555691 564559471 /nfs/dbraw/zinc/55/94/71/564559471.db2.gz WGRLVHLKXAUJIS-JTQLQIEISA-N -2 3 394.287 2.770 20 0 GFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000548620488 564567403 /nfs/dbraw/zinc/56/74/03/564567403.db2.gz SMZBNCLESXJLHD-QMMMGPOBSA-N -2 3 382.251 2.756 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cccs1 ZINC000548769145 564575002 /nfs/dbraw/zinc/57/50/02/564575002.db2.gz QNNXCJCTCYTHJA-SNVBAGLBSA-N -2 3 399.343 2.890 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000572770489 564609455 /nfs/dbraw/zinc/60/94/55/564609455.db2.gz VVPIGNLQVCVRDQ-LBPRGKRZSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)c1 ZINC000572943048 564616271 /nfs/dbraw/zinc/61/62/71/564616271.db2.gz CDBDRMGUHAMZBU-JTQLQIEISA-N -2 3 393.408 2.838 20 0 GFADHL O=C([N-]c1ccc([O-])c(F)c1F)c1sccc1S(=O)(=O)N1CCCC1 ZINC000456795769 564634930 /nfs/dbraw/zinc/63/49/30/564634930.db2.gz UNDWOJWMHALMBD-UHFFFAOYSA-N -2 3 388.417 2.769 20 0 GFADHL O=C([O-])[C@@H](CCC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000574123296 564669711 /nfs/dbraw/zinc/66/97/11/564669711.db2.gz WQQQFRBQZWODDX-LLVKDONJSA-N -2 3 387.866 2.796 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000527053101 564728087 /nfs/dbraw/zinc/72/80/87/564728087.db2.gz HVQISPLOAIVBRX-NEPJUHHUSA-N -2 3 393.889 2.533 20 0 GFADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C(=O)[O-] ZINC000489376358 564737885 /nfs/dbraw/zinc/73/78/85/564737885.db2.gz CXWSXFASPLTFAW-LLVKDONJSA-N -2 3 387.255 2.529 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCCC1 ZINC000581181850 564791516 /nfs/dbraw/zinc/79/15/16/564791516.db2.gz RRSOSIXYKBSAJC-UHFFFAOYSA-N -2 3 382.663 2.778 20 0 GFADHL CCC(CC)([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000556056815 564811330 /nfs/dbraw/zinc/81/13/30/564811330.db2.gz WGMZUXPWNPGSKX-LLVKDONJSA-N -2 3 393.889 2.675 20 0 GFADHL CC(C)C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000532009768 564926596 /nfs/dbraw/zinc/92/65/96/564926596.db2.gz LRKCFBADVTXIHP-SNVBAGLBSA-N -2 3 395.253 2.767 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000466291956 564936664 /nfs/dbraw/zinc/93/66/64/564936664.db2.gz WOTWNDSBGWLAAC-XMMPIXPASA-N -2 3 381.475 2.681 20 0 GFADHL O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000532867522 564948274 /nfs/dbraw/zinc/94/82/74/564948274.db2.gz SBKHDECRIJBPRC-JTQLQIEISA-N -2 3 393.237 2.618 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c(F)c1 ZINC000560380362 564959251 /nfs/dbraw/zinc/95/92/51/564959251.db2.gz KPSIJDBPHVGOCZ-OAHLLOKOSA-N -2 3 387.816 2.900 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000562273856 565022680 /nfs/dbraw/zinc/02/26/80/565022680.db2.gz ZOFOQMXAJYCLTI-SNVBAGLBSA-N -2 3 397.371 2.880 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(Br)c1[O-] ZINC000537646776 565060834 /nfs/dbraw/zinc/06/08/34/565060834.db2.gz JNXFIIITZAEZKH-UHFFFAOYSA-N -2 3 385.239 2.779 20 0 GFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000588627763 565134910 /nfs/dbraw/zinc/13/49/10/565134910.db2.gz YPPGCISBDGMJRX-UHFFFAOYSA-N -2 3 387.772 2.749 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c[n-]1 ZINC000618906253 565321786 /nfs/dbraw/zinc/32/17/86/565321786.db2.gz BPSVGEMROGYPQD-UHFFFAOYSA-N -2 3 375.859 2.763 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)[n-]1 ZINC000618906253 565321790 /nfs/dbraw/zinc/32/17/90/565321790.db2.gz BPSVGEMROGYPQD-UHFFFAOYSA-N -2 3 375.859 2.763 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)s1 ZINC000663254640 565403701 /nfs/dbraw/zinc/40/37/01/565403701.db2.gz LNVJVAXMSVFROJ-SECBINFHSA-N -2 3 382.301 2.598 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1C(C)(C)C1(F)F ZINC000663427879 565419918 /nfs/dbraw/zinc/41/99/18/565419918.db2.gz ZRIDBSLCWQDAIL-JTQLQIEISA-N -2 3 383.800 2.616 20 0 GFADHL O=S(=O)([N-]CCNCc1cccc([O-])c1Cl)c1ccc(Cl)cc1F ZINC000645178106 565516001 /nfs/dbraw/zinc/51/60/01/565516001.db2.gz YROSSNFIOHEUBA-UHFFFAOYSA-N -2 3 393.267 2.906 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1cccs1 ZINC000672786525 565815703 /nfs/dbraw/zinc/81/57/03/565815703.db2.gz WATHCLCMRGULSX-QMMMGPOBSA-N -2 3 380.369 2.656 20 0 GFADHL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000672775091 565815982 /nfs/dbraw/zinc/81/59/82/565815982.db2.gz PUORRPNQSNNSMM-NSHDSACASA-N -2 3 398.225 2.922 20 0 GFADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650388993 565817248 /nfs/dbraw/zinc/81/72/48/565817248.db2.gz PICINHMKQLKQCF-UHFFFAOYSA-N -2 3 375.752 2.772 20 0 GFADHL COC1(C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C(=O)[O-])CCC1 ZINC000650433130 565820979 /nfs/dbraw/zinc/82/09/79/565820979.db2.gz RTCUYEVEUBNPBU-NSHDSACASA-N -2 3 396.292 2.993 20 0 GFADHL COC1(C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C(=O)[O-])CCC1 ZINC000650431928 565821263 /nfs/dbraw/zinc/82/12/63/565821263.db2.gz HSEVPPNZPMJCRF-LBPRGKRZSA-N -2 3 382.265 2.684 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H](CC1CC1)C(=O)[O-] ZINC000629305647 565840316 /nfs/dbraw/zinc/84/03/16/565840316.db2.gz OXNUVPXJZVKUDQ-SNVBAGLBSA-N -2 3 394.262 2.676 20 0 GFADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000629331821 565845065 /nfs/dbraw/zinc/84/50/65/565845065.db2.gz XZRVGIFDYPUHLU-JTQLQIEISA-N -2 3 394.287 2.950 20 0 GFADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000630434310 565901412 /nfs/dbraw/zinc/90/14/12/565901412.db2.gz OPFOLTRJFGXLJU-KYZUINATSA-N -2 3 380.235 2.510 20 0 GFADHL CC(C)(C)C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000652077088 565914392 /nfs/dbraw/zinc/91/43/92/565914392.db2.gz NFFMNRNEWFLQRM-CYBMUJFWSA-N -2 3 395.253 2.910 20 0 GFADHL Clc1ccccc1-c1n[n-]c(=NCc2nc(C3CCOCC3)n[n-]2)s1 ZINC000631459606 565959013 /nfs/dbraw/zinc/95/90/13/565959013.db2.gz GMJLFSLZQYJLBY-UHFFFAOYSA-N -2 3 376.873 2.905 20 0 GFADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-])C1CC1 ZINC000656169652 566109834 /nfs/dbraw/zinc/10/98/34/566109834.db2.gz YZQLFJAMSMQNDD-KGLIPLIRSA-N -2 3 383.491 2.756 20 0 GFADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000681578149 566114390 /nfs/dbraw/zinc/11/43/90/566114390.db2.gz BRJOHNYYOVWYDX-JQWIXIFHSA-N -2 3 384.281 2.503 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC000656518609 566133298 /nfs/dbraw/zinc/13/32/98/566133298.db2.gz UKSIKYJPEQHYOR-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736960269 598843366 /nfs/dbraw/zinc/84/33/66/598843366.db2.gz GUTKUMGFTSQADM-JTQLQIEISA-N -2 3 377.401 2.514 20 0 GFADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736960269 598843367 /nfs/dbraw/zinc/84/33/67/598843367.db2.gz GUTKUMGFTSQADM-JTQLQIEISA-N -2 3 377.401 2.514 20 0 GFADHL CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736352701 598924523 /nfs/dbraw/zinc/92/45/23/598924523.db2.gz XYVODHYIYMWVHX-CQSZACIVSA-N -2 3 391.497 2.668 20 0 GFADHL CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736352701 598924525 /nfs/dbraw/zinc/92/45/25/598924525.db2.gz XYVODHYIYMWVHX-CQSZACIVSA-N -2 3 391.497 2.668 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000737223726 598950779 /nfs/dbraw/zinc/95/07/79/598950779.db2.gz DDNICRFZQYESNI-UHFFFAOYSA-N -2 3 385.449 2.765 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000737223726 598950781 /nfs/dbraw/zinc/95/07/81/598950781.db2.gz DDNICRFZQYESNI-UHFFFAOYSA-N -2 3 385.449 2.765 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736444485 599220733 /nfs/dbraw/zinc/22/07/33/599220733.db2.gz GEVMRPZIQQJAIE-HNNXBMFYSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736444485 599220736 /nfs/dbraw/zinc/22/07/36/599220736.db2.gz GEVMRPZIQQJAIE-HNNXBMFYSA-N -2 3 393.513 2.809 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccccc1-c1ccccc1 ZINC000738344266 598638175 /nfs/dbraw/zinc/63/81/75/598638175.db2.gz FCAQKOAHXDEXQF-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(OC(F)F)ccc32)o1 ZINC000582963054 599775645 /nfs/dbraw/zinc/77/56/45/599775645.db2.gz SFHSOWSGIGOJCK-GFCCVEGCSA-N -2 3 387.360 2.935 20 0 GFADHL COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000737631570 600300638 /nfs/dbraw/zinc/30/06/38/600300638.db2.gz OIXQHMHSKHUXDK-UHFFFAOYSA-N -2 3 392.433 2.692 20 0 GFADHL COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000487362757 600487626 /nfs/dbraw/zinc/48/76/26/600487626.db2.gz WVLMYUKPNZQXJW-UHFFFAOYSA-N -2 3 393.417 2.518 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(C)C ZINC000736920132 600633648 /nfs/dbraw/zinc/63/36/48/600633648.db2.gz HHTOUIDOXDCUEH-LLVKDONJSA-N -2 3 382.251 2.999 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1C(=O)[O-] ZINC000738063886 600659156 /nfs/dbraw/zinc/65/91/56/600659156.db2.gz MHRWLQNXQJFSBZ-UHFFFAOYSA-N -2 3 391.380 2.519 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000507982221 600683810 /nfs/dbraw/zinc/68/38/10/600683810.db2.gz FOGWSBHTCBVRPG-UHFFFAOYSA-N -3 3 377.418 2.856 20 0 GFADHL Cn1cc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)cc1C(=O)[O-] ZINC000061691862 600813957 /nfs/dbraw/zinc/81/39/57/600813957.db2.gz XORQOWYGZPFWOL-UHFFFAOYSA-N -2 3 393.646 2.940 20 0 GFADHL Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832972321 601233152 /nfs/dbraw/zinc/23/31/52/601233152.db2.gz XQWNLHYAUDLLBA-NSHDSACASA-N -2 3 385.388 2.717 20 0 GFADHL COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832600946 601238522 /nfs/dbraw/zinc/23/85/22/601238522.db2.gz CAZLMHWJHPHRFJ-KBXCAEBGSA-N -2 3 397.399 2.680 20 0 GFADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)o1 ZINC000546957674 601251037 /nfs/dbraw/zinc/25/10/37/601251037.db2.gz GRDINVCFJWHRJH-HNNXBMFYSA-N -2 3 381.450 2.823 20 0 GFADHL CCC(CC)([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000828849135 601254452 /nfs/dbraw/zinc/25/44/52/601254452.db2.gz LJRSZBQDIBTVJN-UHFFFAOYSA-N -2 3 398.264 2.702 20 0 GFADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(F)c1 ZINC000831434770 601330491 /nfs/dbraw/zinc/33/04/91/601330491.db2.gz BYBCNJARNHMRGM-WTKPLQERSA-N -2 3 379.365 2.511 20 0 GFADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(OCCC(=O)[O-])cc3)ccc2n1C ZINC000833003953 601340238 /nfs/dbraw/zinc/34/02/38/601340238.db2.gz DEZMREMBEZFNQM-UHFFFAOYSA-N -2 3 389.433 2.536 20 0 GFADHL COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000013059703 601359625 /nfs/dbraw/zinc/35/96/25/601359625.db2.gz TZMSXPWXWALFSS-UHFFFAOYSA-N -2 3 399.808 2.634 20 0 GFADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000831079283 601387670 /nfs/dbraw/zinc/38/76/70/601387670.db2.gz UELPWZHPZLZPKB-HNNXBMFYSA-N -2 3 397.836 2.539 20 0 GFADHL C/C(=C\COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000825758526 601415801 /nfs/dbraw/zinc/41/58/01/601415801.db2.gz KXOMKOOZQZVGRX-GPZRYRNASA-N -2 3 383.400 2.828 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1C(=O)[O-] ZINC000481944666 601475834 /nfs/dbraw/zinc/47/58/34/601475834.db2.gz HQYMGZQWTGLBEH-UHFFFAOYSA-N -2 3 387.360 2.838 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H]1Oc2ccccc2[C@H]1C ZINC000827760403 601523235 /nfs/dbraw/zinc/52/32/35/601523235.db2.gz JRQREUBVUDNNGV-GPHJXTMHSA-N -2 3 397.399 2.895 20 0 GFADHL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1=O ZINC000063877859 601837540 /nfs/dbraw/zinc/83/75/40/601837540.db2.gz JVWLSQJDIJYHOW-UHFFFAOYSA-N -2 3 388.804 2.550 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1Cl ZINC000826210028 607532700 /nfs/dbraw/zinc/53/27/00/607532700.db2.gz BCXOYPGLRFUXML-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)cc2)co1 ZINC000826322388 607535159 /nfs/dbraw/zinc/53/51/59/607535159.db2.gz KITJXDSAZLIABV-UHFFFAOYSA-N -2 3 396.432 2.939 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@H]2C2CCCCC2)c(Br)o1 ZINC000761306930 602159138 /nfs/dbraw/zinc/15/91/38/602159138.db2.gz GHCVXSBWPRSKMM-UWVGGRQHSA-N -2 3 392.271 2.987 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c(C(=O)[O-])s1 ZINC000831348445 602321027 /nfs/dbraw/zinc/32/10/27/602321027.db2.gz NTRRVWMTOIHJKQ-UHFFFAOYSA-N -2 3 389.838 2.996 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000737210092 602644708 /nfs/dbraw/zinc/64/47/08/602644708.db2.gz IZWZDSVIENLEGK-UHFFFAOYSA-N -3 3 380.378 2.674 20 0 GFADHL O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000832485039 603130692 /nfs/dbraw/zinc/13/06/92/603130692.db2.gz ZTXJFVJBJIRIDU-LDYMZIIASA-N -2 3 384.351 2.559 20 0 GFADHL CCOC(=O)c1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c([O-])c1 ZINC000827342528 603898401 /nfs/dbraw/zinc/89/84/01/603898401.db2.gz AJLXAOBQBCGTSB-QXMXGUDHSA-N -2 3 376.409 2.819 20 0 GFADHL O=C([O-])COc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000833253489 604713069 /nfs/dbraw/zinc/71/30/69/604713069.db2.gz GWQPTZBLPBDWFR-UHFFFAOYSA-N -2 3 380.194 2.548 20 0 GFADHL Cc1cccc(C2(C[N-]S(=O)(=O)c3csnc3C(=O)[O-])CCCC2)c1 ZINC000833752759 605024475 /nfs/dbraw/zinc/02/44/75/605024475.db2.gz VSOXKWWITMVUOW-UHFFFAOYSA-N -2 3 380.491 2.940 20 0 GFADHL C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000833535061 605276293 /nfs/dbraw/zinc/27/62/93/605276293.db2.gz LNZNETYEYGAIKS-SNVBAGLBSA-N -2 3 377.780 2.606 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cnc1Cl ZINC000822209631 606638293 /nfs/dbraw/zinc/63/82/93/606638293.db2.gz QDIWYGFIWZYLNZ-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cnc1Cl ZINC000822209631 606638294 /nfs/dbraw/zinc/63/82/94/606638294.db2.gz QDIWYGFIWZYLNZ-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000820881942 606746063 /nfs/dbraw/zinc/74/60/63/606746063.db2.gz FXPLRGNZLZXYTF-ZDUSSCGKSA-N -2 3 399.476 2.640 20 0 GFADHL CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000820881942 606746064 /nfs/dbraw/zinc/74/60/64/606746064.db2.gz FXPLRGNZLZXYTF-ZDUSSCGKSA-N -2 3 399.476 2.640 20 0 GFADHL CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000820881941 606746109 /nfs/dbraw/zinc/74/61/09/606746109.db2.gz FXPLRGNZLZXYTF-CYBMUJFWSA-N -2 3 399.476 2.640 20 0 GFADHL CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000820881941 606746111 /nfs/dbraw/zinc/74/61/11/606746111.db2.gz FXPLRGNZLZXYTF-CYBMUJFWSA-N -2 3 399.476 2.640 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822267456 606751250 /nfs/dbraw/zinc/75/12/50/606751250.db2.gz UKPPOWKYSSJNAG-UHFFFAOYSA-N -2 3 392.872 2.695 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000821308655 606820311 /nfs/dbraw/zinc/82/03/11/606820311.db2.gz FMOQIVJYWDPPDK-UHFFFAOYSA-N -2 3 394.407 2.686 20 0 GFADHL Cc1cc2cc([N-]S(=O)(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc2[nH]1 ZINC000822213027 606864628 /nfs/dbraw/zinc/86/46/28/606864628.db2.gz REIFRSAEYMNYPI-UHFFFAOYSA-N -2 3 390.375 2.735 20 0 GFADHL Cc1cc2cc([N-]S(=O)(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc2[nH]1 ZINC000822213027 606864629 /nfs/dbraw/zinc/86/46/29/606864629.db2.gz REIFRSAEYMNYPI-UHFFFAOYSA-N -2 3 390.375 2.735 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H](C)c1ccccc1 ZINC000820438257 606893047 /nfs/dbraw/zinc/89/30/47/606893047.db2.gz LQVMWQSAHXNRJT-WDEREUQCSA-N -2 3 393.419 2.615 20 0 GFADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826451832 607999916 /nfs/dbraw/zinc/99/99/16/607999916.db2.gz YESBYPUMGQUOAV-UHFFFAOYSA-N -2 3 383.593 2.569 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000826280067 608617973 /nfs/dbraw/zinc/61/79/73/608617973.db2.gz MQCQNWKRURERPZ-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000826280067 608617974 /nfs/dbraw/zinc/61/79/74/608617974.db2.gz MQCQNWKRURERPZ-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL CC(=O)c1ccc([O-])c(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824024340 609350316 /nfs/dbraw/zinc/35/03/16/609350316.db2.gz AOZNBJGQAANMQC-UHFFFAOYSA-N -2 3 381.392 2.571 20 0 GFADHL CC(C)(C)C[C@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000821250805 660319419 /nfs/dbraw/zinc/31/94/19/660319419.db2.gz SPFXUYXHASJEFX-WDEREUQCSA-N -2 3 384.281 2.522 20 0 GFADHL O=C([N-]NC(=O)c1cc(Cl)ccc1[O-])c1ccc(Br)s1 ZINC000010600972 654492955 /nfs/dbraw/zinc/49/29/55/654492955.db2.gz QYKTYTTXVMDSCD-UHFFFAOYSA-N -2 3 375.631 2.944 20 0 GFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837287162 660982233 /nfs/dbraw/zinc/98/22/33/660982233.db2.gz BENUEXXZNXFTPF-VIFPVBQESA-N -2 3 399.694 2.665 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2sccc2Br)cc1C(=O)[O-] ZINC000049060852 654714513 /nfs/dbraw/zinc/71/45/13/654714513.db2.gz JZHTUOFKECYXFT-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CN2CCCCC2)C(=O)[O-])c1Cl ZINC000275042765 655213427 /nfs/dbraw/zinc/21/34/27/655213427.db2.gz VVAFYYULRKETPW-LBPRGKRZSA-N -2 3 395.308 2.519 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])Oc1ccccc1Cl ZINC000574873399 655432613 /nfs/dbraw/zinc/43/26/13/655432613.db2.gz AXQNZVGENPPQMQ-VIFPVBQESA-N -2 3 390.870 2.631 20 0 GFADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000575803663 655437547 /nfs/dbraw/zinc/43/75/47/655437547.db2.gz WYYPEJJRIUNDOY-VIFPVBQESA-N -2 3 384.317 2.987 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000577712371 655465392 /nfs/dbraw/zinc/46/53/92/655465392.db2.gz ZUJLSRZETRRIER-GFCCVEGCSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000754861871 655875493 /nfs/dbraw/zinc/87/54/93/655875493.db2.gz ITMDYAYCZIYLHR-VIFPVBQESA-N -2 3 382.663 2.634 20 0 GFADHL C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)[C@@H](C)O1 ZINC000840899092 661204178 /nfs/dbraw/zinc/20/41/78/661204178.db2.gz NOOICBGTYIUDMV-MRTMQBJTSA-N -2 3 382.265 2.783 20 0 GFADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)(CC(=O)[O-])C1 ZINC000776626608 656770978 /nfs/dbraw/zinc/77/09/78/656770978.db2.gz OHGFMLDGXGWWNJ-YMTOWFKASA-N -2 3 381.281 2.948 20 0 GFADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000793344437 658387520 /nfs/dbraw/zinc/38/75/20/658387520.db2.gz QSNSYWAGURYXQC-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000793393072 658392854 /nfs/dbraw/zinc/39/28/54/658392854.db2.gz ACUDONQBHXFSMR-XMMPIXPASA-N -2 3 385.438 2.512 20 0 GFADHL C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000794841615 658623744 /nfs/dbraw/zinc/62/37/44/658623744.db2.gz UWICODBZHNWJKK-RKDXNWHRSA-N -2 3 382.265 2.643 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCCOC(F)F)c1 ZINC000800816857 659332201 /nfs/dbraw/zinc/33/22/01/659332201.db2.gz FKHOFSJXZDLTPU-UHFFFAOYSA-N -2 3 378.180 2.599 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F)C(F)F ZINC000809226612 659919498 /nfs/dbraw/zinc/91/94/98/659919498.db2.gz FCNVBJUEGJGCIH-QMMMGPOBSA-N -2 3 396.774 2.662 20 0 GFADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)C[C@H](C)O1 ZINC000844895181 661446506 /nfs/dbraw/zinc/44/65/06/661446506.db2.gz IHLJWDHMJIHYLB-DIYOJNKTSA-N -2 3 382.265 2.926 20 0 GFADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc([O-])c1Br ZINC000882734590 663038888 /nfs/dbraw/zinc/03/88/88/663038888.db2.gz DQCIRHCSJGAYJN-LLVKDONJSA-N -2 3 380.260 2.628 20 0 GFADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000909158905 664147399 /nfs/dbraw/zinc/14/73/99/664147399.db2.gz HIZFHZLTCPFSHI-GYSYKLTISA-N -2 3 383.242 2.549 20 0 GFADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000398199980 677412302 /nfs/dbraw/zinc/41/23/02/677412302.db2.gz PIRMMZCEGLRSPS-SNVBAGLBSA-N -2 3 384.198 2.613 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1Br ZINC000152448512 551433178 /nfs/dbraw/zinc/43/31/78/551433178.db2.gz MWMCZPVPFLRWFD-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1Br ZINC000152448512 551433179 /nfs/dbraw/zinc/43/31/79/551433179.db2.gz MWMCZPVPFLRWFD-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000263167623 553183374 /nfs/dbraw/zinc/18/33/74/553183374.db2.gz CQRBKRWFNYLJDF-MEDUHNTESA-N -2 3 383.242 2.551 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H]1CCOC2(CCC2)C1 ZINC000372259955 563300570 /nfs/dbraw/zinc/30/05/70/563300570.db2.gz DZIFGBPKEXXKTO-YGRLFVJLSA-N -2 3 391.848 2.560 20 0 GFADHL Cc1nc2c(s1)CCC[C@@H]2C[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000373524800 563341498 /nfs/dbraw/zinc/34/14/98/563341498.db2.gz VAWUCGPBVGKOJY-SNVBAGLBSA-N -2 3 386.520 2.539 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000424396197 563377881 /nfs/dbraw/zinc/37/78/81/563377881.db2.gz WYALNFMJJYDGQY-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3ccccc3Cl)co2)o1 ZINC000378203811 563498513 /nfs/dbraw/zinc/49/85/13/563498513.db2.gz TYJUIGUMSJPENJ-UHFFFAOYSA-N -2 3 381.797 2.748 20 0 GFADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000392453530 563526883 /nfs/dbraw/zinc/52/68/83/563526883.db2.gz FHMZOFYYNDZWOY-VHSXEESVSA-N -2 3 378.834 2.806 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)CCc1ccco1 ZINC000392880100 563527863 /nfs/dbraw/zinc/52/78/63/563527863.db2.gz GDOKUTMEXDWUMB-SNVBAGLBSA-N -2 3 387.841 2.939 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000436892488 563684310 /nfs/dbraw/zinc/68/43/10/563684310.db2.gz JVYZAMPTNWFISL-UHFFFAOYSA-N -3 3 377.296 2.790 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1 ZINC000436892453 563684390 /nfs/dbraw/zinc/68/43/90/563684390.db2.gz JJQVCUKZFBKIGC-UHFFFAOYSA-N -3 3 377.296 2.790 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000436993728 563687481 /nfs/dbraw/zinc/68/74/81/563687481.db2.gz GMDOAXZNHXEZAG-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL O=C([N-]OC/C=C/Cl)C12CCC(C(=O)[N-]OC/C=C/Cl)(CC1)CC2 ZINC000291434802 563743031 /nfs/dbraw/zinc/74/30/31/563743031.db2.gz APPPTQZCTBRUOY-UVEKSMONSA-N -2 3 377.268 2.928 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])c1 ZINC000539398691 564218231 /nfs/dbraw/zinc/21/82/31/564218231.db2.gz JJISELFRKBHXEW-UHFFFAOYSA-N -3 3 387.797 2.562 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Cl)cc1F ZINC000507597728 564234818 /nfs/dbraw/zinc/23/48/18/564234818.db2.gz STXUDDVEMATAPH-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000476393831 564337849 /nfs/dbraw/zinc/33/78/49/564337849.db2.gz AEJHTEMFJNUCAH-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000476393831 564337852 /nfs/dbraw/zinc/33/78/52/564337852.db2.gz AEJHTEMFJNUCAH-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL CSc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1F ZINC000543164106 564340704 /nfs/dbraw/zinc/34/07/04/564340704.db2.gz KUGGEASOKUDZQM-UHFFFAOYSA-N -3 3 375.374 2.891 20 0 GFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000543769947 564362594 /nfs/dbraw/zinc/36/25/94/564362594.db2.gz PHRFGKQJYQCTCG-MRVPVSSYSA-N -2 3 382.251 2.756 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCCC2CCCCC2)c(F)c1 ZINC000477169291 564367974 /nfs/dbraw/zinc/36/79/74/564367974.db2.gz VTIRFKBQQVWSQN-UHFFFAOYSA-N -2 3 392.518 2.836 20 0 GFADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1C(=O)[O-] ZINC000479276238 564434327 /nfs/dbraw/zinc/43/43/27/564434327.db2.gz HVBBOXLEDSRWHM-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC2=CCCCCC2)c(F)c1 ZINC000546626116 564463186 /nfs/dbraw/zinc/46/31/86/564463186.db2.gz DJXPVFYJZPDFSS-UHFFFAOYSA-N -2 3 390.502 2.756 20 0 GFADHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])c1 ZINC000547549194 564493454 /nfs/dbraw/zinc/49/34/54/564493454.db2.gz UJVBNDARLYMLDI-CQSZACIVSA-N -2 3 384.797 2.661 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(=O)[O-])c(Cl)cc1F ZINC000547573601 564496682 /nfs/dbraw/zinc/49/66/82/564496682.db2.gz ZZRPREHUNWNMFN-AWEZNQCLSA-N -2 3 389.807 2.901 20 0 GFADHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000547610749 564502571 /nfs/dbraw/zinc/50/25/71/564502571.db2.gz HPTSMOHLGJJZOL-AWEZNQCLSA-N -2 3 399.255 2.839 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1C ZINC000547869283 564513991 /nfs/dbraw/zinc/51/39/91/564513991.db2.gz DNUMWZQGIGKQBM-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000547871982 564514394 /nfs/dbraw/zinc/51/43/94/564514394.db2.gz LIQCIMVGCRIKPJ-ZWNOBZJWSA-N -2 3 375.830 2.512 20 0 GFADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)CC(=O)[O-] ZINC000547877663 564515152 /nfs/dbraw/zinc/51/51/52/564515152.db2.gz QHNJEBZFYGNEQP-MRVPVSSYSA-N -2 3 384.317 2.926 20 0 GFADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000547938997 564524384 /nfs/dbraw/zinc/52/43/84/564524384.db2.gz RQGAXCCTYBHNNO-UHFFFAOYSA-N -2 3 398.234 2.978 20 0 GFADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548209563 564536557 /nfs/dbraw/zinc/53/65/57/564536557.db2.gz LMXBFHHVUNKTND-CABZTGNLSA-N -2 3 389.882 2.713 20 0 GFADHL C[C@H](CCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000548212804 564537369 /nfs/dbraw/zinc/53/73/69/564537369.db2.gz SDIXQJCBCFXGHX-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c1 ZINC000548217293 564537815 /nfs/dbraw/zinc/53/78/15/564537815.db2.gz LXNCMBAZWYHRPD-BDJLRTHQSA-N -2 3 375.874 2.908 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)CC(=O)[O-] ZINC000548262279 564544855 /nfs/dbraw/zinc/54/48/55/564544855.db2.gz DVHXQICBPYEUFU-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000548265446 564545331 /nfs/dbraw/zinc/54/53/31/564545331.db2.gz BUDRQEZQWWEJJN-CQSZACIVSA-N -2 3 391.779 2.731 20 0 GFADHL O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000548548993 564558674 /nfs/dbraw/zinc/55/86/74/564558674.db2.gz MFPIYNWBVGMABX-JTQLQIEISA-N -2 3 391.829 2.545 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548550748 564558873 /nfs/dbraw/zinc/55/88/73/564558873.db2.gz CWUQNQXPFJQSHZ-JSGCOSHPSA-N -2 3 394.262 2.900 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-])c1nc(C)cs1 ZINC000571794850 564567087 /nfs/dbraw/zinc/56/70/87/564567087.db2.gz JKGHXDXVBBNKTI-ZDUSSCGKSA-N -2 3 384.479 2.517 20 0 GFADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-])C1CC1 ZINC000548867434 564578531 /nfs/dbraw/zinc/57/85/31/564578531.db2.gz JHGRXGJXGJPISD-RDDDGLTNSA-N -2 3 396.690 2.880 20 0 GFADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1 ZINC000485290485 564611970 /nfs/dbraw/zinc/61/19/70/564611970.db2.gz MCFSEBRPDILUAH-UHFFFAOYSA-N -2 3 387.772 2.749 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1cccc(Br)c1Cl)CC(=O)[O-] ZINC000551240084 564643708 /nfs/dbraw/zinc/64/37/08/564643708.db2.gz YLYRABUWSPWBFD-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1c(Cl)ccc(F)c1F ZINC000551478143 564651481 /nfs/dbraw/zinc/65/14/81/564651481.db2.gz ZRNACAQYMHECCZ-UHFFFAOYSA-N -2 3 385.783 2.523 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1c(Cl)ccc(F)c1F ZINC000551478143 564651485 /nfs/dbraw/zinc/65/14/85/564651485.db2.gz ZRNACAQYMHECCZ-UHFFFAOYSA-N -2 3 385.783 2.523 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)s1 ZINC000573834644 564656085 /nfs/dbraw/zinc/65/60/85/564656085.db2.gz CJSXOORHLYNWKG-WPRPVWTQSA-N -2 3 384.317 2.843 20 0 GFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551590605 564656346 /nfs/dbraw/zinc/65/63/46/564656346.db2.gz GGBROZDJHUMTFI-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1F ZINC000574145767 564669737 /nfs/dbraw/zinc/66/97/37/564669737.db2.gz NFQULAIYGPJLBU-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1F ZINC000574145767 564669742 /nfs/dbraw/zinc/66/97/42/564669742.db2.gz NFQULAIYGPJLBU-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000526060099 564718416 /nfs/dbraw/zinc/71/84/16/564718416.db2.gz WCAKGCIMQNGKHI-LLVKDONJSA-N -2 3 378.834 2.657 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000554531111 564764018 /nfs/dbraw/zinc/76/40/18/564764018.db2.gz KCDOSLMCWSFJDT-VIFPVBQESA-N -2 3 387.351 2.892 20 0 GFADHL CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2OC)C1 ZINC000581820328 564819001 /nfs/dbraw/zinc/81/90/01/564819001.db2.gz ACSRTWCTCIXBEV-RYUDHWBXSA-N -2 3 391.486 2.875 20 0 GFADHL O=C([O-])c1cc(Br)cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000462895377 564862207 /nfs/dbraw/zinc/86/22/07/564862207.db2.gz LBWYTZJWHIRPGT-UHFFFAOYSA-N -2 3 388.181 2.580 20 0 GFADHL O=C([O-])c1cc(Br)cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000462895377 564862208 /nfs/dbraw/zinc/86/22/08/564862208.db2.gz LBWYTZJWHIRPGT-UHFFFAOYSA-N -2 3 388.181 2.580 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000558474131 564902281 /nfs/dbraw/zinc/90/22/81/564902281.db2.gz PLYYLXPVRVQOGG-SNVBAGLBSA-N -2 3 398.428 2.531 20 0 GFADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-])C1CC1 ZINC000558685439 564911454 /nfs/dbraw/zinc/91/14/54/564911454.db2.gz FGBXJJXFRUBDHM-KRTXAFLBSA-N -2 3 396.690 2.880 20 0 GFADHL O=C([O-])[C@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000560077249 564948838 /nfs/dbraw/zinc/94/88/38/564948838.db2.gz JNSPMZYCZOMQAS-HNNXBMFYSA-N -2 3 389.807 2.983 20 0 GFADHL CC1(C)CCC(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000536156559 565031513 /nfs/dbraw/zinc/03/15/13/565031513.db2.gz YBWONQPSFOPTKD-UHFFFAOYSA-N -2 3 392.518 2.692 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000645994138 565581483 /nfs/dbraw/zinc/58/14/83/565581483.db2.gz ZHXJGZAYYHMTEP-ZUZCIYMTSA-N -2 3 381.475 2.975 20 0 GFADHL Cc1cccc2cc(S(=O)(=O)[N-]CCc3nc(CC(=O)[O-])cs3)sc21 ZINC000650397178 565817171 /nfs/dbraw/zinc/81/71/71/565817171.db2.gz KTCJCZMWERKXLF-UHFFFAOYSA-N -2 3 396.515 2.814 20 0 GFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650406286 565817931 /nfs/dbraw/zinc/81/79/31/565817931.db2.gz JYKBENVNJAPEQP-SECBINFHSA-N -2 3 389.779 2.874 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C1CCC1 ZINC000650412881 565818184 /nfs/dbraw/zinc/81/81/84/565818184.db2.gz MSIGGBFHEZBDNO-NSHDSACASA-N -2 3 387.763 2.770 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)CC1CC1 ZINC000650430737 565821352 /nfs/dbraw/zinc/82/13/52/565821352.db2.gz WBOOJSSJPKYDEK-VIFPVBQESA-N -2 3 383.800 2.721 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000629297189 565837666 /nfs/dbraw/zinc/83/76/66/565837666.db2.gz ZITOTJIONVURMC-MRVPVSSYSA-N -2 3 382.251 2.676 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cc(F)ccc1F ZINC000681566584 566112174 /nfs/dbraw/zinc/11/21/74/566112174.db2.gz GDMTYORANFFBLF-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000737225971 599236943 /nfs/dbraw/zinc/23/69/43/599236943.db2.gz WOYTYHOPGRQPIN-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000737225971 599236946 /nfs/dbraw/zinc/23/69/46/599236946.db2.gz WOYTYHOPGRQPIN-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000736229052 598481197 /nfs/dbraw/zinc/48/11/97/598481197.db2.gz PVLRQLOQGBDLQT-STQMWFEESA-N -2 3 391.497 2.524 20 0 GFADHL C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000736229052 598481199 /nfs/dbraw/zinc/48/11/99/598481199.db2.gz PVLRQLOQGBDLQT-STQMWFEESA-N -2 3 391.497 2.524 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c(C)c1 ZINC000737368622 598548757 /nfs/dbraw/zinc/54/87/57/598548757.db2.gz BDNHRAMXXRJFSV-UHFFFAOYSA-N -2 3 395.391 2.886 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821911571 607376499 /nfs/dbraw/zinc/37/64/99/607376499.db2.gz YMUDJZITKXMSIH-UHFFFAOYSA-N -2 3 395.466 2.525 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821911571 607376501 /nfs/dbraw/zinc/37/65/01/607376501.db2.gz YMUDJZITKXMSIH-UHFFFAOYSA-N -2 3 395.466 2.525 20 0 GFADHL C[C@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736621584 599774508 /nfs/dbraw/zinc/77/45/08/599774508.db2.gz DHXXEVHSXWRAFD-SECBINFHSA-N -2 3 388.239 2.650 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cc(F)ccc1F ZINC000739505524 599814884 /nfs/dbraw/zinc/81/48/84/599814884.db2.gz QZNHQDBBBVJNIY-NSHDSACASA-N -2 3 397.186 2.771 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)nc2ccccc12 ZINC000738856824 599859308 /nfs/dbraw/zinc/85/93/08/599859308.db2.gz CKNHOPJSYHMWCE-UHFFFAOYSA-N -2 3 391.836 2.768 20 0 GFADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C(=O)[O-])co2)ccc1F ZINC000736263225 599881494 /nfs/dbraw/zinc/88/14/94/599881494.db2.gz RJIBSQCLVNAWQF-UHFFFAOYSA-N -2 3 399.396 2.551 20 0 GFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 ZINC000521509105 600244673 /nfs/dbraw/zinc/24/46/73/600244673.db2.gz NOCAYWBOKSJIKZ-ROUUACIJSA-N -2 3 391.445 2.868 20 0 GFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000740242888 600245320 /nfs/dbraw/zinc/24/53/20/600245320.db2.gz WAQXWWNVSHJZAF-IAGOWNOFSA-N -2 3 391.445 2.868 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000268635641 600256328 /nfs/dbraw/zinc/25/63/28/600256328.db2.gz QAAOTAFMFVGHKV-CYBMUJFWSA-N -2 3 390.461 2.719 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(CN(C)C)c1 ZINC000738632751 600362004 /nfs/dbraw/zinc/36/20/04/600362004.db2.gz KDKBATHIKVRMIO-UHFFFAOYSA-N -2 3 384.404 2.834 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1C(=O)[O-] ZINC000063443755 600543636 /nfs/dbraw/zinc/54/36/36/600543636.db2.gz RSZZBQNQZMHROS-UHFFFAOYSA-N -2 3 398.824 2.806 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C1CC1 ZINC000736603914 600633733 /nfs/dbraw/zinc/63/37/33/600633733.db2.gz DIVSOPAVBWPIKJ-SSDOTTSWSA-N -2 3 380.235 2.611 20 0 GFADHL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)cc21 ZINC000370108968 600635072 /nfs/dbraw/zinc/63/50/72/600635072.db2.gz CMIZCHOTDPHQRG-UHFFFAOYSA-N -2 3 392.408 2.624 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000788455248 600776727 /nfs/dbraw/zinc/77/67/27/600776727.db2.gz FJWNFXGQZMVCNT-NSHDSACASA-N -2 3 375.233 2.535 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1C(=O)[O-] ZINC000055649366 600811473 /nfs/dbraw/zinc/81/14/73/600811473.db2.gz LTUJHMUKJXZTCF-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2)cc1C(=O)[O-] ZINC000833028133 601223020 /nfs/dbraw/zinc/22/30/20/601223020.db2.gz JYXOCIRLLDQJPQ-LBPRGKRZSA-N -2 3 398.868 2.887 20 0 GFADHL Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c(C)c1 ZINC000832952308 601229349 /nfs/dbraw/zinc/22/93/49/601229349.db2.gz ZPNFRXSBSRIKFY-UHFFFAOYSA-N -2 3 385.388 2.637 20 0 GFADHL CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cs1 ZINC000827152127 601233581 /nfs/dbraw/zinc/23/35/81/601233581.db2.gz ACBXRVNAHDJZKF-UHFFFAOYSA-N -2 3 390.433 2.764 20 0 GFADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000828805026 601268020 /nfs/dbraw/zinc/26/80/20/601268020.db2.gz YVCWEYZFHIICLU-UHFFFAOYSA-N -2 3 394.852 2.749 20 0 GFADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c(C)o1 ZINC000831028929 601284462 /nfs/dbraw/zinc/28/44/62/601284462.db2.gz CWNYIJIAGCRIMB-UHFFFAOYSA-N -2 3 380.422 2.570 20 0 GFADHL COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000476289806 601320201 /nfs/dbraw/zinc/32/02/01/601320201.db2.gz RZRZFMZNQYXQGZ-UHFFFAOYSA-N -2 3 381.381 2.728 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2nc(C3CCCCC3)no2)cc1C(=O)[O-] ZINC000833029030 601385379 /nfs/dbraw/zinc/38/53/79/601385379.db2.gz XQULDQOVAHHHNN-SECBINFHSA-N -2 3 383.426 2.756 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)ccc1F ZINC000748647396 601475720 /nfs/dbraw/zinc/47/57/20/601475720.db2.gz KSUTXEZIQRVHSL-UHFFFAOYSA-N -2 3 375.324 2.969 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1CO ZINC000327014644 601828533 /nfs/dbraw/zinc/82/85/33/601828533.db2.gz NEPHYIPJRXIESY-UHFFFAOYSA-N -2 3 385.825 2.730 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c(Cl)n1 ZINC000832419695 602107094 /nfs/dbraw/zinc/10/70/94/602107094.db2.gz ZHRZQPGAXUSSMH-UHFFFAOYSA-N -2 3 377.205 2.896 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccs1 ZINC000055313275 602141642 /nfs/dbraw/zinc/14/16/42/602141642.db2.gz LRVBOHJNCBTOAL-LURJTMIESA-N -2 3 380.241 2.841 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1noc(-c2ccccc2)n1 ZINC000827746895 602172093 /nfs/dbraw/zinc/17/20/93/602172093.db2.gz HKKXVFOKHCFBRM-SECBINFHSA-N -2 3 379.419 2.536 20 0 GFADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2NC(=O)[O-])ccc1F ZINC000738862943 602175094 /nfs/dbraw/zinc/17/50/94/602175094.db2.gz XEMCMLMWQITEEQ-UHFFFAOYSA-N -2 3 395.412 2.855 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c1F ZINC000833295603 602328592 /nfs/dbraw/zinc/32/85/92/602328592.db2.gz WNFIUOODNSXTFF-JTQLQIEISA-N -2 3 389.763 2.728 20 0 GFADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740209295 602504289 /nfs/dbraw/zinc/50/42/89/602504289.db2.gz UOZVLYGYCGECDE-UHFFFAOYSA-N -2 3 393.403 2.802 20 0 GFADHL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000832140907 603143851 /nfs/dbraw/zinc/14/38/51/603143851.db2.gz ONQBJFHDIBKYNY-LBPRGKRZSA-N -2 3 390.248 2.676 20 0 GFADHL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000832080200 604015735 /nfs/dbraw/zinc/01/57/35/604015735.db2.gz SQSPUAQVXQVPRN-UHFFFAOYSA-N -2 3 380.397 2.687 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@](C)(CNC(=O)[O-])C3CC3)cc2)cc(=O)[n-]1 ZINC000830687909 604302482 /nfs/dbraw/zinc/30/24/82/604302482.db2.gz YUCIRYHEHALINO-LJQANCHMSA-N -2 3 385.424 2.715 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832853305 604806605 /nfs/dbraw/zinc/80/66/05/604806605.db2.gz UZZHDSWFBVPXIQ-UHFFFAOYSA-N -3 3 399.808 2.611 20 0 GFADHL CC1=C(C(=O)[O-])C[C@@H](CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)O1 ZINC000833582949 604886427 /nfs/dbraw/zinc/88/64/27/604886427.db2.gz ZWCGPKVGBLSOCS-LBPRGKRZSA-N -2 3 384.417 2.761 20 0 GFADHL O=C([O-])c1cc(NC(=O)c2cc3c(cc2[O-])OCO3)ccc1Br ZINC000833768479 605192976 /nfs/dbraw/zinc/19/29/76/605192976.db2.gz FDLQYYHZJIGXMK-UHFFFAOYSA-N -2 3 380.150 2.834 20 0 GFADHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000821873217 606339575 /nfs/dbraw/zinc/33/95/75/606339575.db2.gz SZEQEDPMRSUNOG-UHFFFAOYSA-N -2 3 399.354 2.695 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000821309773 606598863 /nfs/dbraw/zinc/59/88/63/606598863.db2.gz SQMQZPCRTFHZTR-UHFFFAOYSA-N -2 3 376.417 2.547 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)n1 ZINC000822259091 606695934 /nfs/dbraw/zinc/69/59/34/606695934.db2.gz MHHQWZRAWPDXJI-UHFFFAOYSA-N -2 3 398.370 2.698 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)n1 ZINC000822259091 606695935 /nfs/dbraw/zinc/69/59/35/606695935.db2.gz MHHQWZRAWPDXJI-UHFFFAOYSA-N -2 3 398.370 2.698 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000821308822 607032756 /nfs/dbraw/zinc/03/27/56/607032756.db2.gz FRBCODRPCOISIE-UHFFFAOYSA-N -2 3 384.421 2.846 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000826255729 609156529 /nfs/dbraw/zinc/15/65/29/609156529.db2.gz IKBQBPNRWWVEAI-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000826255729 609156530 /nfs/dbraw/zinc/15/65/30/609156530.db2.gz IKBQBPNRWWVEAI-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000826295317 609313376 /nfs/dbraw/zinc/31/33/76/609313376.db2.gz BXPUXALHVGKRSF-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)cc1F ZINC000826272631 609338579 /nfs/dbraw/zinc/33/85/79/609338579.db2.gz TYNDREWVUURSEV-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)cc1F ZINC000826272631 609338581 /nfs/dbraw/zinc/33/85/81/609338581.db2.gz TYNDREWVUURSEV-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826272846 609528081 /nfs/dbraw/zinc/52/80/81/609528081.db2.gz DQTODBHNUBEVJY-UHFFFAOYSA-N -2 3 389.828 2.506 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)c1Cl ZINC000821247946 660319202 /nfs/dbraw/zinc/31/92/02/660319202.db2.gz JQQSOPUCDGCLKV-JQWIXIFHSA-N -2 3 398.308 2.830 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000042317242 654637954 /nfs/dbraw/zinc/63/79/54/654637954.db2.gz SCWGPGADBLGYQK-UHFFFAOYSA-N -2 3 379.463 2.511 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cc(Cl)sc1Cl ZINC000122939974 654747764 /nfs/dbraw/zinc/74/77/64/654747764.db2.gz AZFNCYHWNRZSIV-UHFFFAOYSA-N -2 3 390.277 2.960 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cc(Cl)sc1Cl ZINC000122939974 654747769 /nfs/dbraw/zinc/74/77/69/654747769.db2.gz AZFNCYHWNRZSIV-UHFFFAOYSA-N -2 3 390.277 2.960 20 0 GFADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)o1 ZINC000056249321 654791139 /nfs/dbraw/zinc/79/11/39/654791139.db2.gz UHVJKOBTAFPZHJ-UHFFFAOYSA-N -2 3 398.853 2.612 20 0 GFADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161794482 655128750 /nfs/dbraw/zinc/12/87/50/655128750.db2.gz RAQIGVBMCFTRGM-UHFFFAOYSA-N -2 3 382.251 2.902 20 0 GFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000578006208 655470971 /nfs/dbraw/zinc/47/09/71/655470971.db2.gz BUFNWZXHESQCLN-SECBINFHSA-N -2 3 384.679 2.738 20 0 GFADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)C2CC2)n1 ZINC000580070199 655507826 /nfs/dbraw/zinc/50/78/26/655507826.db2.gz TYMLTAQXFBNBKL-HNNXBMFYSA-N -2 3 384.454 2.647 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br)C(F)F ZINC000840889732 661199489 /nfs/dbraw/zinc/19/94/89/661199489.db2.gz HKSPDKPLHIFWHC-MRVPVSSYSA-N -2 3 386.214 2.778 20 0 GFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000776618437 656769050 /nfs/dbraw/zinc/76/90/50/656769050.db2.gz XYJKMYCYHAJWGG-KWQFWETISA-N -2 3 382.251 2.756 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CC1 ZINC000790590129 658000754 /nfs/dbraw/zinc/00/07/54/658000754.db2.gz MQDJOFQDNZHPSI-VIFPVBQESA-N -2 3 382.663 2.634 20 0 GFADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000843292931 661376237 /nfs/dbraw/zinc/37/62/37/661376237.db2.gz CXPWZYHXWHQZFC-JTQLQIEISA-N -2 3 397.902 2.664 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000844898459 661447770 /nfs/dbraw/zinc/44/77/70/661447770.db2.gz LIXKYSSPLGGGHD-JQWIXIFHSA-N -2 3 394.276 2.928 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC000871937218 662743972 /nfs/dbraw/zinc/74/39/72/662743972.db2.gz SITFPZDUKPFAMR-RKDXNWHRSA-N -2 3 382.265 2.785 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@](C)(C(=O)[O-])C2)c1Cl ZINC000906011694 663908506 /nfs/dbraw/zinc/90/85/06/663908506.db2.gz ULIWLSAXWQPBOQ-YMTOWFKASA-N -2 3 382.265 2.602 20 0 GFADHL CC1(C)CCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000386790662 677407613 /nfs/dbraw/zinc/40/76/13/677407613.db2.gz LQYMEMWODNVUFM-QMMMGPOBSA-N -2 3 380.260 2.845 20 0 GFADHL COc1csc(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)c1 ZINC000473479317 532592856 /nfs/dbraw/zinc/59/28/56/532592856.db2.gz JXIPOZIHYQKIKP-UHFFFAOYSA-N -2 3 396.475 2.661 20 0 GFADHL COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1N1CCCC1=O ZINC000549722608 450598858 /nfs/dbraw/zinc/59/88/58/450598858.db2.gz WQMZVOGKGONJDY-UHFFFAOYSA-N -2 3 396.852 2.982 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])sc1Br ZINC000123586636 551307038 /nfs/dbraw/zinc/30/70/38/551307038.db2.gz OWAFXLGCVMTNRZ-RKDXNWHRSA-N -2 3 382.301 2.598 20 0 GFADHL CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000157257953 551535974 /nfs/dbraw/zinc/53/59/74/551535974.db2.gz MTQDAHRIABYMFS-UHFFFAOYSA-N -2 3 378.237 2.835 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161831089 551599424 /nfs/dbraw/zinc/59/94/24/551599424.db2.gz JHHBEPPMLAXKGA-DGCLKSJQSA-N -2 3 380.235 2.510 20 0 GFADHL Cc1cc(Br)c([O-])c(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000182935866 552296243 /nfs/dbraw/zinc/29/62/43/552296243.db2.gz AGPZLKQYGYYFEA-UHFFFAOYSA-N -2 3 375.178 2.599 20 0 GFADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1F ZINC000184791328 552344637 /nfs/dbraw/zinc/34/46/37/552344637.db2.gz CYCCSDGCWNYFEN-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)N1CCC(C)CC1 ZINC000184967158 552349613 /nfs/dbraw/zinc/34/96/13/552349613.db2.gz UIJLAWZTULAIFT-LLVKDONJSA-N -2 3 392.880 2.576 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1 ZINC000236424814 553069308 /nfs/dbraw/zinc/06/93/08/553069308.db2.gz JQWWHOUSRXSRSN-UHFFFAOYSA-N -2 3 382.663 2.636 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000236441138 553069409 /nfs/dbraw/zinc/06/94/09/553069409.db2.gz ZJTSBNNGZFSFDX-PSASIEDQSA-N -2 3 396.690 2.882 20 0 GFADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-] ZINC000262453860 553170919 /nfs/dbraw/zinc/17/09/19/553170919.db2.gz RJFKXKIIFSVXHX-ZDUSSCGKSA-N -2 3 393.889 2.533 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000315657471 563440887 /nfs/dbraw/zinc/44/08/87/563440887.db2.gz IPPZUFVDHXKTGY-UHFFFAOYSA-N -2 3 381.262 2.935 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)[C@H]1CCOC2(CCC2)C1 ZINC000372262456 563300598 /nfs/dbraw/zinc/30/05/98/563300598.db2.gz QWZXILXJVYFAAZ-IINYFYTJSA-N -2 3 391.848 2.560 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])c(C)o2)s1 ZINC000281948190 563391610 /nfs/dbraw/zinc/39/16/10/563391610.db2.gz SUOORRSIZMAITI-UHFFFAOYSA-N -2 3 394.268 2.897 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000318939752 563444589 /nfs/dbraw/zinc/44/45/89/563444589.db2.gz YUPKAFHTDAEAHS-UHFFFAOYSA-N -2 3 394.287 2.627 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)[C@@H]1OCCc2sccc21 ZINC000427248694 563463188 /nfs/dbraw/zinc/46/31/88/563463188.db2.gz HKZJMQUXDHBUNX-PSLIRLAXSA-N -2 3 385.438 2.566 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380170723 563514434 /nfs/dbraw/zinc/51/44/34/563514434.db2.gz BDMJIOKMUHAEQA-XCBNKYQSSA-N -2 3 382.663 2.634 20 0 GFADHL COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1 ZINC000393066949 563527838 /nfs/dbraw/zinc/52/78/38/563527838.db2.gz VQOAKPJQTONZPB-UHFFFAOYSA-N -2 3 383.809 2.767 20 0 GFADHL C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000285614249 563528668 /nfs/dbraw/zinc/52/86/68/563528668.db2.gz WRQOZVVQYLLWNA-BDAKNGLRSA-N -2 3 382.265 2.643 20 0 GFADHL COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1Cl ZINC000431183504 563556646 /nfs/dbraw/zinc/55/66/46/563556646.db2.gz RDTKVCDHGSTZLT-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436479506 563671889 /nfs/dbraw/zinc/67/18/89/563671889.db2.gz RHXXARNDDZHLMG-UHFFFAOYSA-N -2 3 395.380 2.615 20 0 GFADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CCCO1 ZINC000436844915 563680935 /nfs/dbraw/zinc/68/09/35/563680935.db2.gz QFZCLDYIRJNYAY-UHFFFAOYSA-N -2 3 382.825 2.624 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1 ZINC000436998859 563687500 /nfs/dbraw/zinc/68/75/00/563687500.db2.gz ZMTABLWHVJADKF-UHFFFAOYSA-N -3 3 377.296 2.616 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC3(CCC3)C2)sc1Cl ZINC000364366743 563751270 /nfs/dbraw/zinc/75/12/70/563751270.db2.gz CDVGNNQOAAMJCJ-PWSUYJOCSA-N -2 3 393.914 2.791 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000563527499 564195568 /nfs/dbraw/zinc/19/55/68/564195568.db2.gz MUSDTTXEENBWCB-BXUZGUMPSA-N -2 3 383.800 2.863 20 0 GFADHL CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)nc1C ZINC000565280529 564274007 /nfs/dbraw/zinc/27/40/07/564274007.db2.gz SXKHRPGYZATOFT-ZDUSSCGKSA-N -2 3 392.264 2.622 20 0 GFADHL O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474431044 564277794 /nfs/dbraw/zinc/27/77/94/564277794.db2.gz CMQNPZRNUFFQEU-UHFFFAOYSA-N -2 3 378.834 2.553 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000566615434 564334490 /nfs/dbraw/zinc/33/44/90/564334490.db2.gz KBCUQGYHISNFQN-QPUJVOFHSA-N -2 3 385.816 2.965 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c(F)c1 ZINC000544098548 564374374 /nfs/dbraw/zinc/37/43/74/564374374.db2.gz JYLWSKWSOSOBAS-UHFFFAOYSA-N -2 3 375.324 2.969 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCC3)c2)c1 ZINC000546263971 564451472 /nfs/dbraw/zinc/45/14/72/564451472.db2.gz BHPVLFPWLDDVEB-UHFFFAOYSA-N -2 3 382.463 2.641 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)sc1C(=O)[O-] ZINC000547554489 564494253 /nfs/dbraw/zinc/49/42/53/564494253.db2.gz OFXHMLKONFRKEE-UHFFFAOYSA-N -2 3 395.487 2.752 20 0 GFADHL COc1ccc(Br)cc1S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000547566641 564494970 /nfs/dbraw/zinc/49/49/70/564494970.db2.gz YKICYWXTHSCWFG-UHFFFAOYSA-N -2 3 394.287 2.627 20 0 GFADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)(CC(=O)[O-])C1 ZINC000547571314 564495599 /nfs/dbraw/zinc/49/55/99/564495599.db2.gz UVXAOCZGYYUNGN-IINYFYTJSA-N -2 3 380.388 2.660 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cs1 ZINC000547574563 564496706 /nfs/dbraw/zinc/49/67/06/564496706.db2.gz HEIFYMGBDJUEDF-UHFFFAOYSA-N -2 3 375.811 2.687 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c(Cl)c1Cl ZINC000547577095 564496732 /nfs/dbraw/zinc/49/67/32/564496732.db2.gz YPZFPMFCBAOOKM-UHFFFAOYSA-N -2 3 382.265 2.925 20 0 GFADHL C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000547616930 564504163 /nfs/dbraw/zinc/50/41/63/564504163.db2.gz FUQKVFIIIROASX-ZBEGNZNMSA-N -2 3 378.837 2.952 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000547921616 564522081 /nfs/dbraw/zinc/52/20/81/564522081.db2.gz FZGHQJIVYALJIK-NSHDSACASA-N -2 3 375.855 2.904 20 0 GFADHL COc1ccc(Br)c(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])c1 ZINC000547964786 564526318 /nfs/dbraw/zinc/52/63/18/564526318.db2.gz LDVQFAGSKIIYOG-SECBINFHSA-N -2 3 394.287 2.625 20 0 GFADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000481975373 564530706 /nfs/dbraw/zinc/53/07/06/564530706.db2.gz RPZRYGBTYMKSJE-UHFFFAOYSA-N -2 3 382.825 2.726 20 0 GFADHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548217369 564538364 /nfs/dbraw/zinc/53/83/64/564538364.db2.gz MXMVPWSFQUEZKK-LBPRGKRZSA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccsc1 ZINC000518033643 564544659 /nfs/dbraw/zinc/54/46/59/564544659.db2.gz LGQJINAXTILPIK-SNVBAGLBSA-N -2 3 380.369 2.656 20 0 GFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000548555855 564559364 /nfs/dbraw/zinc/55/93/64/564559364.db2.gz IBKPTKFFQRJRAT-SECBINFHSA-N -2 3 382.251 2.900 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1(C)Cc2ccccc2C1 ZINC000571638281 564559630 /nfs/dbraw/zinc/55/96/30/564559630.db2.gz QQIHOXXFOHDXLU-UHFFFAOYSA-N -2 3 381.475 2.538 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C ZINC000548559453 564560233 /nfs/dbraw/zinc/56/02/33/564560233.db2.gz MRGKKGCUBNPAIJ-NSHDSACASA-N -2 3 391.873 2.684 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000548595894 564565946 /nfs/dbraw/zinc/56/59/46/564565946.db2.gz BGRQLLJYKLENEA-NSHDSACASA-N -2 3 379.221 2.702 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000571857025 564570068 /nfs/dbraw/zinc/57/00/68/564570068.db2.gz DHJGKRYVZOFUSA-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCCCCC1 ZINC000571998336 564576248 /nfs/dbraw/zinc/57/62/48/564576248.db2.gz TXZZKENMXUNGBV-UHFFFAOYSA-N -2 3 381.372 2.883 20 0 GFADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC)c1nccs1 ZINC000519766300 564590649 /nfs/dbraw/zinc/59/06/49/564590649.db2.gz LZCYQJMWYIXAHX-OAHLLOKOSA-N -2 3 388.442 2.593 20 0 GFADHL CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000520682963 564610430 /nfs/dbraw/zinc/61/04/30/564610430.db2.gz DAYIUDXUOFHWPC-NEPJUHHUSA-N -2 3 393.889 2.533 20 0 GFADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000485263731 564611914 /nfs/dbraw/zinc/61/19/14/564611914.db2.gz VKMXYEYKNKMKTO-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000573505846 564641376 /nfs/dbraw/zinc/64/13/76/564641376.db2.gz NEMFMHWCCNMDFS-MRVPVSSYSA-N -2 3 382.360 2.516 20 0 GFADHL C[C@@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000522378380 564650923 /nfs/dbraw/zinc/65/09/23/564650923.db2.gz XRDYJPWGJASUOL-OLZOCXBDSA-N -2 3 392.518 2.692 20 0 GFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551597621 564657173 /nfs/dbraw/zinc/65/71/73/564657173.db2.gz VVXXYPFHLWJBKK-SECBINFHSA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000573921366 564660403 /nfs/dbraw/zinc/66/04/03/564660403.db2.gz VCBHLSJDPWAFSQ-KOLCDFICSA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)Cc1cccc(Cl)c1 ZINC000574499849 564675870 /nfs/dbraw/zinc/67/58/70/564675870.db2.gz CDODOSRHPXTAMS-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000574561068 564678987 /nfs/dbraw/zinc/67/89/87/564678987.db2.gz NIABNNIUWGPQLK-DOMZBBRYSA-N -2 3 381.372 2.739 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)CC(=O)[O-] ZINC000576057814 564705579 /nfs/dbraw/zinc/70/55/79/564705579.db2.gz MERZMVGBYMAOJC-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000489743739 564751580 /nfs/dbraw/zinc/75/15/80/564751580.db2.gz WPKFZJQYIPEHTO-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)CCC(=O)[O-] ZINC000580419545 564757552 /nfs/dbraw/zinc/75/75/52/564757552.db2.gz YBFIUKXQHJQSRO-UHFFFAOYSA-N -2 3 383.388 2.987 20 0 GFADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000462062491 564814402 /nfs/dbraw/zinc/81/44/02/564814402.db2.gz YGGSFJGIBINYOI-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CCCC1 ZINC000558473844 564902558 /nfs/dbraw/zinc/90/25/58/564902558.db2.gz STIQMUPUWMZIFZ-UHFFFAOYSA-N -2 3 399.266 2.673 20 0 GFADHL CCOC(=O)CSc1nnc([N-]C(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000498583083 564903539 /nfs/dbraw/zinc/90/35/39/564903539.db2.gz INNNSSPWPIYEDG-UHFFFAOYSA-N -2 3 393.368 2.569 20 0 GFADHL C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H](C(=O)[O-])C1 ZINC000584215642 564926157 /nfs/dbraw/zinc/92/61/57/564926157.db2.gz PXTHUFLKSXUREW-OTYXRUKQSA-N -2 3 393.237 2.616 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000534799047 564996486 /nfs/dbraw/zinc/99/64/86/564996486.db2.gz CWMYDXSOBBNOPN-CPCISQLKSA-N -2 3 384.679 2.880 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)c(F)c1 ZINC000563059509 565053950 /nfs/dbraw/zinc/05/39/50/565053950.db2.gz PMHRTYJFUMPAGI-NWDGAFQWSA-N -2 3 396.481 2.536 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-]Cc2c(C(=O)[O-])sc3ccsc32)c1 ZINC000563073021 565054785 /nfs/dbraw/zinc/05/47/85/565054785.db2.gz VDIXSWDIWBHXDT-UHFFFAOYSA-N -2 3 385.492 2.917 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000584758259 565096117 /nfs/dbraw/zinc/09/61/17/565096117.db2.gz UMSSDBOPIOZDOW-NSHDSACASA-N -2 3 394.396 2.965 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCCCC1 ZINC000590609673 565193647 /nfs/dbraw/zinc/19/36/47/565193647.db2.gz YMROAAWOMBPLFN-OAHLLOKOSA-N -2 3 392.518 2.834 20 0 GFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-] ZINC000592450768 565277878 /nfs/dbraw/zinc/27/78/78/565277878.db2.gz PJPOBGLOLXBDJI-SECBINFHSA-N -2 3 375.443 2.613 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c[n-]1 ZINC000618907009 565322208 /nfs/dbraw/zinc/32/22/08/565322208.db2.gz IHHJDQLHPDHQHH-UHFFFAOYSA-N -2 3 377.344 2.714 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)[n-]1 ZINC000618907009 565322212 /nfs/dbraw/zinc/32/22/12/565322212.db2.gz IHHJDQLHPDHQHH-UHFFFAOYSA-N -2 3 377.344 2.714 20 0 GFADHL Cc1oc(C)c(S(=O)(=O)[N-]CC(F)(F)c2ccc(F)cc2)c1C(=O)[O-] ZINC000663430309 565420280 /nfs/dbraw/zinc/42/02/80/565420280.db2.gz PFCJICWNVOSAQR-UHFFFAOYSA-N -2 3 377.340 2.804 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000645994136 565581170 /nfs/dbraw/zinc/58/11/70/565581170.db2.gz ZHXJGZAYYHMTEP-BONVTDFDSA-N -2 3 381.475 2.975 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(OC(F)(F)F)c1 ZINC000672775001 565816584 /nfs/dbraw/zinc/81/65/84/565816584.db2.gz IGTQLGXBDBQOAQ-JTQLQIEISA-N -2 3 389.298 2.750 20 0 GFADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650406204 565818196 /nfs/dbraw/zinc/81/81/96/565818196.db2.gz ICQWHNMOBZPKDV-ZETCQYMHSA-N -2 3 375.752 2.770 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)CC1CC1 ZINC000650430728 565821148 /nfs/dbraw/zinc/82/11/48/565821148.db2.gz VRJIUIPKFLTACN-SECBINFHSA-N -2 3 385.335 2.504 20 0 GFADHL CCO[C@H](CS(=O)(=O)[N-]c1cc(OC)c(C(=O)[O-])cc1Cl)C1CC1 ZINC000629292316 565836548 /nfs/dbraw/zinc/83/65/48/565836548.db2.gz IBEQNAUPYIMFPP-CQSZACIVSA-N -2 3 377.846 2.604 20 0 GFADHL CCC[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000653670312 565977216 /nfs/dbraw/zinc/97/72/16/565977216.db2.gz AKJRLJLCRZMIDL-SECBINFHSA-N -2 3 381.226 2.521 20 0 GFADHL CC1(C(=O)[O-])CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000679099556 566030722 /nfs/dbraw/zinc/03/07/22/566030722.db2.gz FQXNJYDTKDOYJN-UHFFFAOYSA-N -2 3 393.237 2.618 20 0 GFADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-])C1CC1 ZINC000656169654 566109595 /nfs/dbraw/zinc/10/95/95/566109595.db2.gz YZQLFJAMSMQNDD-UONOGXRCSA-N -2 3 383.491 2.756 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)cc1F ZINC000681568012 566113529 /nfs/dbraw/zinc/11/35/29/566113529.db2.gz QJGCFOWIHLKOBO-AWEZNQCLSA-N -2 3 377.315 2.656 20 0 GFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656511274 566130207 /nfs/dbraw/zinc/13/02/07/566130207.db2.gz RCOHZBLUAXBSGC-LLVKDONJSA-N -2 3 384.679 2.880 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1 ZINC000656713713 566157022 /nfs/dbraw/zinc/15/70/22/566157022.db2.gz PGKGFLFTAUXPJR-UHFFFAOYSA-N -2 3 392.271 2.524 20 0 GFADHL O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341048 598842293 /nfs/dbraw/zinc/84/22/93/598842293.db2.gz CXAQJVVNCGSAGG-UHFFFAOYSA-N -2 3 384.396 2.597 20 0 GFADHL O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341048 598842295 /nfs/dbraw/zinc/84/22/95/598842295.db2.gz CXAQJVVNCGSAGG-UHFFFAOYSA-N -2 3 384.396 2.597 20 0 GFADHL O=S(=O)([N-]c1cnc2ccccc2c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738339703 598867706 /nfs/dbraw/zinc/86/77/06/598867706.db2.gz PNWGSYUBCPROOK-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cnc2ccccc2c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000738339703 598867708 /nfs/dbraw/zinc/86/77/08/598867708.db2.gz PNWGSYUBCPROOK-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738345924 598949525 /nfs/dbraw/zinc/94/95/25/598949525.db2.gz RVDQDYPCVMWWGI-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738345924 598949526 /nfs/dbraw/zinc/94/95/26/598949526.db2.gz RVDQDYPCVMWWGI-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000737225746 598949621 /nfs/dbraw/zinc/94/96/21/598949621.db2.gz QQKHAOZXPUTZOR-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000737225746 598949623 /nfs/dbraw/zinc/94/96/23/598949623.db2.gz QQKHAOZXPUTZOR-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL C[C@@H](SCC(=O)NCC(=O)[O-])c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000820194076 597753393 /nfs/dbraw/zinc/75/33/93/597753393.db2.gz DFTXMBAYVUOLEB-MRVPVSSYSA-N -2 3 393.446 2.652 20 0 GFADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000820842601 607328324 /nfs/dbraw/zinc/32/83/24/607328324.db2.gz OFXIHKHQUQBEFR-UHFFFAOYSA-N -2 3 391.840 2.914 20 0 GFADHL O=S(=O)([N-]c1nc2cc(Cl)ccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738339549 598439034 /nfs/dbraw/zinc/43/90/34/598439034.db2.gz NZFUZJIWZOCZIN-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1nc2cc(Cl)ccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738339549 598439036 /nfs/dbraw/zinc/43/90/36/598439036.db2.gz NZFUZJIWZOCZIN-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccs1 ZINC000823583480 599308308 /nfs/dbraw/zinc/30/83/08/599308308.db2.gz RCSDXZZJHRMKEM-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccs1 ZINC000823583480 599308311 /nfs/dbraw/zinc/30/83/11/599308311.db2.gz RCSDXZZJHRMKEM-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCNC(=O)[O-])cc1 ZINC000738689669 599724656 /nfs/dbraw/zinc/72/46/56/599724656.db2.gz PHICNEGKZJAHJV-UHFFFAOYSA-N -2 3 391.449 2.700 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2Oc2cccc(F)c2)o1 ZINC000740177894 599771437 /nfs/dbraw/zinc/77/14/37/599771437.db2.gz UCPCRSUSDOXZHD-UHFFFAOYSA-N -2 3 392.364 2.783 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CCOCC2)o1 ZINC000578190666 599773417 /nfs/dbraw/zinc/77/34/17/599773417.db2.gz YSHHLKGFJMIERT-UHFFFAOYSA-N -2 3 399.852 2.658 20 0 GFADHL Cc1ccc(Cl)cc1N1CC[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000738604844 599778511 /nfs/dbraw/zinc/77/85/11/599778511.db2.gz OOQQUQDPTHNFGS-GFCCVEGCSA-N -2 3 398.868 2.744 20 0 GFADHL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000547557397 599979936 /nfs/dbraw/zinc/97/99/36/599979936.db2.gz NJRDBMOXZLPMCE-OAHLLOKOSA-N -2 3 396.827 2.935 20 0 GFADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000738568894 600444950 /nfs/dbraw/zinc/44/49/50/600444950.db2.gz NJBFQBUARXYWII-LBPRGKRZSA-N -2 3 389.260 2.844 20 0 GFADHL COCc1cccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000737835512 600488211 /nfs/dbraw/zinc/48/82/11/600488211.db2.gz ZBXYXYICIVJCRO-UHFFFAOYSA-N -2 3 379.434 2.877 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1C(=O)[O-] ZINC000055644747 600543305 /nfs/dbraw/zinc/54/33/05/600543305.db2.gz VFNYQBXMWCNBLA-UHFFFAOYSA-N -2 3 391.380 2.519 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000268610058 600545954 /nfs/dbraw/zinc/54/59/54/600545954.db2.gz MCWWEZAYSSNCDP-OAHLLOKOSA-N -2 3 377.418 2.662 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)OC)c2)cc1C ZINC000830094554 600688775 /nfs/dbraw/zinc/68/87/75/600688775.db2.gz LUIYPIAQICXWTH-UHFFFAOYSA-N -2 3 393.417 2.679 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)ccc1C(=O)[O-] ZINC000285062933 600893805 /nfs/dbraw/zinc/89/38/05/600893805.db2.gz JMVKMYDRIRGMQR-OAHLLOKOSA-N -2 3 377.418 2.662 20 0 GFADHL COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000507954461 600899327 /nfs/dbraw/zinc/89/93/27/600899327.db2.gz XCWRZGGOBYEBMG-UHFFFAOYSA-N -2 3 391.445 2.945 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)c1F ZINC000833294745 601237643 /nfs/dbraw/zinc/23/76/43/601237643.db2.gz GYKMVVNIMVOKEE-LBPRGKRZSA-N -2 3 396.415 2.610 20 0 GFADHL Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832972940 601239663 /nfs/dbraw/zinc/23/96/63/601239663.db2.gz MIHNAIDLOXFYTO-NSHDSACASA-N -2 3 385.388 2.717 20 0 GFADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)o1 ZINC000829412532 601251487 /nfs/dbraw/zinc/25/14/87/601251487.db2.gz VXCLLEOVGFUYIJ-RFKZRZAASA-N -2 3 379.434 2.606 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)ccc1F ZINC000014097424 601319949 /nfs/dbraw/zinc/31/99/49/601319949.db2.gz QNRQGOAEPVCTRB-UHFFFAOYSA-N -2 3 378.381 2.673 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1NC(C)=O ZINC000024437778 601321243 /nfs/dbraw/zinc/32/12/43/601321243.db2.gz TXITUEDUZBLKBM-UHFFFAOYSA-N -2 3 392.433 2.769 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1NC(C)=O ZINC000832419217 601322242 /nfs/dbraw/zinc/32/22/42/601322242.db2.gz DFHFFACHRYSBDZ-YHYXMXQVSA-N -2 3 390.417 2.552 20 0 GFADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000737871036 601323521 /nfs/dbraw/zinc/32/35/21/601323521.db2.gz GSRAITDFYXRIAA-UHFFFAOYSA-N -2 3 382.369 2.893 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCCC3)c2)cc1C(=O)[O-] ZINC000833027212 601595615 /nfs/dbraw/zinc/59/56/15/601595615.db2.gz FJGSAOUKPMYTNL-LBPRGKRZSA-N -2 3 378.450 2.926 20 0 GFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877450 601832685 /nfs/dbraw/zinc/83/26/85/601832685.db2.gz MLKDFMZEUAKZCD-UHFFFAOYSA-N -3 3 391.735 2.815 20 0 GFADHL C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])cc2)CCO1 ZINC000828499643 601847847 /nfs/dbraw/zinc/84/78/47/601847847.db2.gz DPVYAVPIFMIULY-LBPRGKRZSA-N -2 3 394.424 2.550 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1-c1nnn[n-]1 ZINC000826303945 607534249 /nfs/dbraw/zinc/53/42/49/607534249.db2.gz NTPQAUVPDMZZOY-UHFFFAOYSA-N -2 3 396.432 2.995 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1-c1nn[n-]n1 ZINC000826303945 607534251 /nfs/dbraw/zinc/53/42/51/607534251.db2.gz NTPQAUVPDMZZOY-UHFFFAOYSA-N -2 3 396.432 2.995 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H]1CCCCO1 ZINC000826611457 602125209 /nfs/dbraw/zinc/12/52/09/602125209.db2.gz HTUVPXZUQIXLEJ-GFCCVEGCSA-N -2 3 377.409 2.537 20 0 GFADHL CC(C)N(CCC[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000738848736 602389634 /nfs/dbraw/zinc/38/96/34/602389634.db2.gz SHXNQAPMAHQOAB-UHFFFAOYSA-N -2 3 385.305 2.567 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740107247 602646514 /nfs/dbraw/zinc/64/65/14/602646514.db2.gz KBFYDTLSEUHAIA-UHFFFAOYSA-N -3 3 390.417 2.925 20 0 GFADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739477228 602652965 /nfs/dbraw/zinc/65/29/65/602652965.db2.gz DIRRKDGMZSMRCY-UHFFFAOYSA-N -2 3 382.369 2.893 20 0 GFADHL O=C([O-])NC1CCC([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000740559612 603087562 /nfs/dbraw/zinc/08/75/62/603087562.db2.gz FILHUEXQUAGLRT-UHFFFAOYSA-N -2 3 381.479 2.667 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1NC(=O)[O-] ZINC000829484567 603835946 /nfs/dbraw/zinc/83/59/46/603835946.db2.gz TXNKBHSUIVHLPI-UHFFFAOYSA-N -3 3 380.378 2.593 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-] ZINC000829855043 604314816 /nfs/dbraw/zinc/31/48/16/604314816.db2.gz ONJPTDUVLCEROU-UHFFFAOYSA-N -3 3 376.390 2.535 20 0 GFADHL CC(C)OC[C@H](C(=O)[O-])N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000827021792 604513649 /nfs/dbraw/zinc/51/36/49/604513649.db2.gz JVPIQACHQDGIDQ-GFCCVEGCSA-N -2 3 391.449 2.967 20 0 GFADHL Cc1cc([C@@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)oc1C(=O)[O-] ZINC000832873323 604577354 /nfs/dbraw/zinc/57/73/54/604577354.db2.gz BGMWOQUUTKEJSH-SECBINFHSA-N -2 3 385.369 2.715 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1C ZINC000832468451 604808412 /nfs/dbraw/zinc/80/84/12/604808412.db2.gz CIMBCRROYWEGTK-UHFFFAOYSA-N -2 3 385.825 2.921 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3ccccc3C(=O)[O-])CCCCCC2)no1 ZINC000578354348 605016981 /nfs/dbraw/zinc/01/69/81/605016981.db2.gz YDBSPJKSDZYDAI-UHFFFAOYSA-N -2 3 379.438 2.604 20 0 GFADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000822258691 606765420 /nfs/dbraw/zinc/76/54/20/606765420.db2.gz AIJBTLZKLSAJRP-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000822258691 606765422 /nfs/dbraw/zinc/76/54/22/606765422.db2.gz AIJBTLZKLSAJRP-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588847 606865529 /nfs/dbraw/zinc/86/55/29/606865529.db2.gz CIPBPOWPONIUNR-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823588847 606865530 /nfs/dbraw/zinc/86/55/30/606865530.db2.gz CIPBPOWPONIUNR-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821127118 607112548 /nfs/dbraw/zinc/11/25/48/607112548.db2.gz BPWHDRCXESVLBM-UHFFFAOYSA-N -2 3 377.401 2.595 20 0 GFADHL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821127118 607112550 /nfs/dbraw/zinc/11/25/50/607112550.db2.gz BPWHDRCXESVLBM-UHFFFAOYSA-N -2 3 377.401 2.595 20 0 GFADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n[nH]c1-c1ccccc1 ZINC000826233766 608307430 /nfs/dbraw/zinc/30/74/30/608307430.db2.gz VGEMPDZKYQZUBL-UHFFFAOYSA-N -2 3 399.411 2.505 20 0 GFADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000826186582 609311666 /nfs/dbraw/zinc/31/16/66/609311666.db2.gz ANACKQDWKKWFKT-UHFFFAOYSA-N -2 3 396.432 2.533 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cnc1Cl ZINC000826271313 609530704 /nfs/dbraw/zinc/53/07/04/609530704.db2.gz MSGUIUDZZSLGCD-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cnc1Cl ZINC000826271313 609530706 /nfs/dbraw/zinc/53/07/06/609530706.db2.gz MSGUIUDZZSLGCD-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000819088656 660246076 /nfs/dbraw/zinc/24/60/76/660246076.db2.gz DCVUDSKZPCSCAA-GMSGAONNSA-N -2 3 399.694 2.521 20 0 GFADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cc2cc(Cl)ccc2s1 ZINC000823589011 660375762 /nfs/dbraw/zinc/37/57/62/660375762.db2.gz HWCJELILLCCMFH-UHFFFAOYSA-N -2 3 398.882 2.992 20 0 GFADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cc(F)ccc1Br ZINC000826492956 660455495 /nfs/dbraw/zinc/45/54/95/660455495.db2.gz MZWZNMOQYCXMNW-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccc(F)c(Br)c1 ZINC000826493138 660455516 /nfs/dbraw/zinc/45/55/16/660455516.db2.gz VJORXOMNJBUURJ-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)Cn1cccn1 ZINC000184939581 655360813 /nfs/dbraw/zinc/36/08/13/655360813.db2.gz UPDWUQFLUGDMDW-SECBINFHSA-N -2 3 392.264 2.503 20 0 GFADHL O=C([N-][N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)c1ccc(Cl)cc1F ZINC000185260660 655363438 /nfs/dbraw/zinc/36/34/38/655363438.db2.gz LLNSYZFQFDGCID-UHFFFAOYSA-N -2 3 385.779 2.723 20 0 GFADHL CC(C)(C)CC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000191146678 655397215 /nfs/dbraw/zinc/39/72/15/655397215.db2.gz HAVRMPOSBZICNI-UHFFFAOYSA-N -2 3 383.695 2.848 20 0 GFADHL CC(C)CCC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000191146606 655397234 /nfs/dbraw/zinc/39/72/34/655397234.db2.gz CWHBPJCFEUSNMY-UHFFFAOYSA-N -2 3 383.695 2.848 20 0 GFADHL Cc1ccc([O-])c(NC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)n1 ZINC000753469113 655855037 /nfs/dbraw/zinc/85/50/37/655855037.db2.gz GKFYKOALHULPRF-UHFFFAOYSA-N -2 3 375.328 2.609 20 0 GFADHL CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000840891025 661199411 /nfs/dbraw/zinc/19/94/11/661199411.db2.gz UGCSMEDSDIMIRV-DTWKUNHWSA-N -2 3 380.260 2.845 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])c(Cl)cc1Cl ZINC000760119331 655969695 /nfs/dbraw/zinc/96/96/95/655969695.db2.gz FXCYKLMWASZPIQ-LLVKDONJSA-N -2 3 398.264 2.558 20 0 GFADHL C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000809150572 659918357 /nfs/dbraw/zinc/91/83/57/659918357.db2.gz ITPGFQQOXLDGPK-VXJOIVPMSA-N -2 3 385.800 2.978 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCCC1 ZINC000841777068 661312442 /nfs/dbraw/zinc/31/24/42/661312442.db2.gz WBMJRUVZNWSKCT-UHFFFAOYSA-N -2 3 385.335 2.790 20 0 GFADHL O=C([O-])[C@]1([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CCSC1 ZINC000851599234 661825815 /nfs/dbraw/zinc/82/58/15/661825815.db2.gz CWHKQMZWQGNLQH-LBPRGKRZSA-N -2 3 380.210 2.617 20 0 GFADHL CSc1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC000852735866 661872884 /nfs/dbraw/zinc/87/28/84/661872884.db2.gz KCOUFMZEAQUUGU-CHWSQXEVSA-N -2 3 376.400 2.505 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)c1Cl ZINC000179966022 552208009 /nfs/dbraw/zinc/20/80/09/552208009.db2.gz COMROXUTGWIKDN-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000194140006 553012623 /nfs/dbraw/zinc/01/26/23/553012623.db2.gz FTGZKHUCJYGAKM-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL CC(C)C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236599132 553069954 /nfs/dbraw/zinc/06/99/54/553069954.db2.gz MGJVSQUHTXOZLL-CYBMUJFWSA-N -2 3 381.226 2.520 20 0 GFADHL O=C([O-])CCC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000261840423 553160515 /nfs/dbraw/zinc/16/05/15/553160515.db2.gz KXCUWFRAMCRDFU-UHFFFAOYSA-N -2 3 390.177 2.611 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000262396451 553170151 /nfs/dbraw/zinc/17/01/51/553170151.db2.gz NBCWVLZDUGJBBR-RWSFTLGLSA-N -2 3 393.889 2.531 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1c(F)cccc1F ZINC000296881502 563305998 /nfs/dbraw/zinc/30/59/98/563305998.db2.gz HYMVEUXJBQFGPW-ZANVPECISA-N -2 3 383.363 2.835 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCO3)cc1Cl ZINC000373906246 563354399 /nfs/dbraw/zinc/35/43/99/563354399.db2.gz OGEZSZCAXRMCTR-UHFFFAOYSA-N -2 3 381.793 2.804 20 0 GFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000319238053 563445093 /nfs/dbraw/zinc/44/50/93/563445093.db2.gz PRIGLGIVJFELKU-MGCOHNPYSA-N -2 3 394.262 2.758 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000326697013 563456102 /nfs/dbraw/zinc/45/61/02/563456102.db2.gz LVDJCUMZQCCDOY-CYBMUJFWSA-N -2 3 390.244 2.673 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000328319024 563460854 /nfs/dbraw/zinc/46/08/54/563460854.db2.gz ALYFBZSKVPOQCF-SFYZADRCSA-N -2 3 382.663 2.634 20 0 GFADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1C(=O)[O-] ZINC000427302225 563464733 /nfs/dbraw/zinc/46/47/33/563464733.db2.gz OIKHWTPMKOIUGI-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000386596123 563518818 /nfs/dbraw/zinc/51/88/18/563518818.db2.gz WDOPVRYOAGLVAY-CQSZACIVSA-N -2 3 394.287 2.770 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCC1 ZINC000399266828 563533694 /nfs/dbraw/zinc/53/36/94/563533694.db2.gz OFOZVASESOCOKF-JTQLQIEISA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCC1 ZINC000399266831 563533734 /nfs/dbraw/zinc/53/37/34/563533734.db2.gz OFOZVASESOCOKF-SNVBAGLBSA-N -2 3 382.663 2.634 20 0 GFADHL CC(C)c1csc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000433379154 563611535 /nfs/dbraw/zinc/61/15/35/563611535.db2.gz XOHMKQUUPWJRJM-UHFFFAOYSA-N -2 3 393.487 2.578 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c1 ZINC000436995149 563687806 /nfs/dbraw/zinc/68/78/06/563687806.db2.gz PIMDAFZMMRKCMH-UHFFFAOYSA-N -3 3 375.324 2.996 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)o1 ZINC000538013232 564179848 /nfs/dbraw/zinc/17/98/48/564179848.db2.gz OADMLEVKHOZLOK-UHFFFAOYSA-N -2 3 390.458 2.605 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC(C)(C)OC1(C)C ZINC000563955259 564214623 /nfs/dbraw/zinc/21/46/23/564214623.db2.gz VPISZZQVXRYYKI-GFCCVEGCSA-N -2 3 391.873 2.671 20 0 GFADHL C[C@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000564917319 564257271 /nfs/dbraw/zinc/25/72/71/564257271.db2.gz PHNVGIPHGANTIX-MRVPVSSYSA-N -2 3 394.396 2.770 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)s1 ZINC000541930446 564295380 /nfs/dbraw/zinc/29/53/80/564295380.db2.gz AJQQGNHHAPMNMU-KRWDZBQOSA-N -2 3 380.491 2.781 20 0 GFADHL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000509389112 564295898 /nfs/dbraw/zinc/29/58/98/564295898.db2.gz CVQZNWHMPJPWBD-UHFFFAOYSA-N -3 3 376.312 2.613 20 0 GFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)Cc1cccs1 ZINC000566175720 564314379 /nfs/dbraw/zinc/31/43/79/564314379.db2.gz BFSHZBIUYIDXHJ-JTQLQIEISA-N -2 3 387.454 2.751 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c(C)c1C(=O)[O-] ZINC000512725884 564409612 /nfs/dbraw/zinc/40/96/12/564409612.db2.gz RGEMWBNWMMTZEK-XMMPIXPASA-N -2 3 381.475 2.681 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]Cc1ccccc1OC(C)C ZINC000568623534 564428140 /nfs/dbraw/zinc/42/81/40/564428140.db2.gz SNQMVQNXLGHOEE-UHFFFAOYSA-N -2 3 385.463 2.721 20 0 GFADHL COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000515379732 564477799 /nfs/dbraw/zinc/47/77/99/564477799.db2.gz PCDBFDUIYPZWMR-LBPRGKRZSA-N -2 3 381.475 2.853 20 0 GFADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000547544578 564492544 /nfs/dbraw/zinc/49/25/44/564492544.db2.gz POQZURRRGCGBSD-UHFFFAOYSA-N -2 3 382.419 2.957 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)CC(=O)[O-] ZINC000547612004 564502594 /nfs/dbraw/zinc/50/25/94/564502594.db2.gz JLFWGKDGKWLLBE-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(=O)[O-] ZINC000547613154 564503356 /nfs/dbraw/zinc/50/33/56/564503356.db2.gz YTKQVMPARPNYJG-MFKMUULPSA-N -2 3 391.873 2.684 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000547615391 564503366 /nfs/dbraw/zinc/50/33/66/564503366.db2.gz MJAMSQBEACDCNB-GFCCVEGCSA-N -2 3 381.878 2.910 20 0 GFADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])cc1Cl ZINC000547900474 564518416 /nfs/dbraw/zinc/51/84/16/564518416.db2.gz RAGSKKNSRFLHLP-GFCCVEGCSA-N -2 3 394.852 2.605 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)sc1C(=O)[O-] ZINC000548201585 564535979 /nfs/dbraw/zinc/53/59/79/564535979.db2.gz QNASVGSUNKWLRN-UHFFFAOYSA-N -2 3 398.359 2.786 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])s1 ZINC000548205149 564536641 /nfs/dbraw/zinc/53/66/41/564536641.db2.gz ICLGJQBZRBJCLR-LLVKDONJSA-N -2 3 388.898 2.581 20 0 GFADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(=O)[O-] ZINC000548260277 564544318 /nfs/dbraw/zinc/54/43/18/564544318.db2.gz ALDXMQPDWHULKY-GXFFZTMASA-N -2 3 391.873 2.684 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c1 ZINC000571400824 564549249 /nfs/dbraw/zinc/54/92/49/564549249.db2.gz ZNKVNUCXKRKXKJ-UHFFFAOYSA-N -2 3 386.520 2.693 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1cccs1 ZINC000548524078 564555613 /nfs/dbraw/zinc/55/56/13/564555613.db2.gz BUZZHBGNQGGEFU-NSHDSACASA-N -2 3 394.243 2.754 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000548587780 564564416 /nfs/dbraw/zinc/56/44/16/564564416.db2.gz AGIDFEDPRRHXGH-ZDUSSCGKSA-N -2 3 381.878 2.910 20 0 GFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000548620487 564567220 /nfs/dbraw/zinc/56/72/20/564567220.db2.gz SMZBNCLESXJLHD-MRVPVSSYSA-N -2 3 382.251 2.756 20 0 GFADHL CC1([C@@H]([N-]S(=O)(=O)c2ccc(Br)cn2)C(=O)[O-])CCCCC1 ZINC000548685666 564570217 /nfs/dbraw/zinc/57/02/17/564570217.db2.gz GJEZPZCULNACBV-LBPRGKRZSA-N -2 3 391.287 2.546 20 0 GFADHL C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2cc(F)ccc2Br)(C(=O)[O-])C1 ZINC000548837316 564577501 /nfs/dbraw/zinc/57/75/01/564577501.db2.gz WGUGTQOKQXBAEV-OTYXRUKQSA-N -2 3 394.262 2.900 20 0 GFADHL CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000520682964 564610141 /nfs/dbraw/zinc/61/01/41/564610141.db2.gz DAYIUDXUOFHWPC-NWDGAFQWSA-N -2 3 393.889 2.533 20 0 GFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000573060995 564620846 /nfs/dbraw/zinc/62/08/46/564620846.db2.gz SCZSUVRSXXLUMA-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCOc2cccc3ccccc32)c1 ZINC000550915508 564634471 /nfs/dbraw/zinc/63/44/71/564634471.db2.gz CJAPXHPCXWSMKA-UHFFFAOYSA-N -2 3 377.443 2.957 20 0 GFADHL C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(Br)cc1 ZINC000551999085 564672239 /nfs/dbraw/zinc/67/22/39/564672239.db2.gz GILATSNQNPRQDP-RNCFNFMXSA-N -2 3 388.239 2.782 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000552001349 564672296 /nfs/dbraw/zinc/67/22/96/564672296.db2.gz XRUAEZNWRZUIJI-UHFFFAOYSA-N -2 3 382.663 2.636 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)Cc1cccc(Cl)c1 ZINC000574499850 564676484 /nfs/dbraw/zinc/67/64/84/564676484.db2.gz CDODOSRHPXTAMS-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL O=C(NCCCNC(=O)c1cc([O-])ccc1Cl)c1cc([O-])ccc1Cl ZINC000552119593 564678518 /nfs/dbraw/zinc/67/85/18/564678518.db2.gz NICCSXCMZNFXDJ-UHFFFAOYSA-N -2 3 383.231 2.955 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000552139430 564679077 /nfs/dbraw/zinc/67/90/77/564679077.db2.gz GMSRIZAMRPPZKL-BBRMVZONSA-N -2 3 381.475 2.893 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)sc1C ZINC000576283414 564712200 /nfs/dbraw/zinc/71/22/00/564712200.db2.gz ODTYSIVPDQCFJV-UHFFFAOYSA-N -2 3 394.396 2.955 20 0 GFADHL O=S(=O)([N-]CCN=c1nc(C2CC2)[n-]s1)c1cccc(Cl)c1Cl ZINC000553265197 564714418 /nfs/dbraw/zinc/71/44/18/564714418.db2.gz ASQSMWDRDDESTH-UHFFFAOYSA-N -2 3 393.321 2.535 20 0 GFADHL O=C([O-])c1cc([N-]S(=O)(=O)CCOC(F)(F)F)cc(Cl)c1Cl ZINC000576995726 564722694 /nfs/dbraw/zinc/72/26/94/564722694.db2.gz ZKAGEJUTGCQQRY-UHFFFAOYSA-N -2 3 382.143 2.970 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C(=O)[O-])cc2Cl)c(F)c1 ZINC000577005002 564722802 /nfs/dbraw/zinc/72/28/02/564722802.db2.gz TZPLTQHBAYIKAA-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(c3ccccc3)CC2)s1 ZINC000554537886 564764926 /nfs/dbraw/zinc/76/49/26/564764926.db2.gz GHEULOGHQDBTMI-UHFFFAOYSA-N -2 3 380.491 2.911 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)cc1Cl ZINC000554676885 564769961 /nfs/dbraw/zinc/76/99/61/564769961.db2.gz NMAACCONBFOLGT-FUXBKTLASA-N -2 3 382.265 2.780 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)s1 ZINC000461109256 564790103 /nfs/dbraw/zinc/79/01/03/564790103.db2.gz DAIRVNHEWQWSER-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)s1 ZINC000461109256 564790104 /nfs/dbraw/zinc/79/01/04/564790104.db2.gz DAIRVNHEWQWSER-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1Cl ZINC000530476437 564883572 /nfs/dbraw/zinc/88/35/72/564883572.db2.gz FFHJTPUKWMWQCX-LLVKDONJSA-N -2 3 394.630 2.800 20 0 GFADHL C[C@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000583750419 564906290 /nfs/dbraw/zinc/90/62/90/564906290.db2.gz OHHVGOZORNVDEX-SECBINFHSA-N -2 3 377.340 2.906 20 0 GFADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-])C1CC1 ZINC000558685438 564911666 /nfs/dbraw/zinc/91/16/66/564911666.db2.gz FGBXJJXFRUBDHM-JVXZTZIISA-N -2 3 396.690 2.880 20 0 GFADHL C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H](C(=O)[O-])C1 ZINC000584215643 564925769 /nfs/dbraw/zinc/92/57/69/564925769.db2.gz PXTHUFLKSXUREW-XPTSAGLGSA-N -2 3 393.237 2.616 20 0 GFADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2cc(F)ccc2Br)(C(=O)[O-])C1 ZINC000560418106 564960846 /nfs/dbraw/zinc/96/08/46/564960846.db2.gz CCKRXSHVYNXNJX-AWEZNQCLSA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000562643953 565037500 /nfs/dbraw/zinc/03/75/00/565037500.db2.gz QRGVWDOMNBBUSC-PWSUYJOCSA-N -2 3 380.388 2.802 20 0 GFADHL COCC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1ccc(C)o1 ZINC000563067024 565054080 /nfs/dbraw/zinc/05/40/80/565054080.db2.gz FBUOPFPLQRRCJJ-AWEZNQCLSA-N -2 3 387.841 2.996 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C3CCC3)s2)cs1 ZINC000663255008 565403822 /nfs/dbraw/zinc/40/38/22/565403822.db2.gz OFSKLLDMJNSFNH-NSHDSACASA-N -2 3 386.520 2.959 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CCC1 ZINC000663254595 565404096 /nfs/dbraw/zinc/40/40/96/565404096.db2.gz BECDQRGCRRYESY-JTQLQIEISA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C1CCC1 ZINC000663256952 565404418 /nfs/dbraw/zinc/40/44/18/565404418.db2.gz RGIUELFQNCWNTP-JTQLQIEISA-N -2 3 396.690 2.882 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)oc1C(=O)[O-] ZINC000663422714 565419057 /nfs/dbraw/zinc/41/90/57/565419057.db2.gz MYJLZTHIIPPVSY-UHFFFAOYSA-N -2 3 384.479 2.533 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000671645128 565777147 /nfs/dbraw/zinc/77/71/47/565777147.db2.gz WOJHGDFWZPDULC-JTQLQIEISA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c(OC(F)(F)F)c1 ZINC000672775002 565816048 /nfs/dbraw/zinc/81/60/48/565816048.db2.gz IGTQLGXBDBQOAQ-SNVBAGLBSA-N -2 3 389.298 2.750 20 0 GFADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650394287 565816663 /nfs/dbraw/zinc/81/66/63/565816663.db2.gz CFLMDULPFICYLK-ZCFIWIBFSA-N -2 3 397.705 2.625 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650419786 565819274 /nfs/dbraw/zinc/81/92/74/565819274.db2.gz XFPXYBACQKBBDK-VIFPVBQESA-N -2 3 387.763 2.770 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000650427363 565820250 /nfs/dbraw/zinc/82/02/50/565820250.db2.gz HGSAIGNPXBSXHZ-VIFPVBQESA-N -2 3 399.266 2.529 20 0 GFADHL COC1(C[C@@H]([N-]S(=O)(=O)c2cc3cccc(C)c3s2)C(=O)[O-])CCC1 ZINC000650433526 565821206 /nfs/dbraw/zinc/82/12/06/565821206.db2.gz BKULXTVSPFPHSL-CYBMUJFWSA-N -2 3 383.491 2.900 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)CC1CC1 ZINC000650430671 565821689 /nfs/dbraw/zinc/82/16/89/565821689.db2.gz TZYMADQTICJJIG-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000629297190 565837080 /nfs/dbraw/zinc/83/70/80/565837080.db2.gz ZITOTJIONVURMC-QMMMGPOBSA-N -2 3 382.251 2.676 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1C)CC(=O)[O-] ZINC000629296238 565837301 /nfs/dbraw/zinc/83/73/01/565837301.db2.gz RDXIHFDHNVJIGG-VIFPVBQESA-N -2 3 382.251 2.676 20 0 GFADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000629298139 565838743 /nfs/dbraw/zinc/83/87/43/565838743.db2.gz ZJIDAFWFFFGODD-SECBINFHSA-N -2 3 385.360 2.516 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000629301219 565839193 /nfs/dbraw/zinc/83/91/93/565839193.db2.gz CDCHVUCYIPTBBC-UHFFFAOYSA-N -2 3 380.235 2.572 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2(C3CCC3)CC2)c(F)c1 ZINC000651872058 565900731 /nfs/dbraw/zinc/90/07/31/565900731.db2.gz PBNGPBLHCRXVMJ-UHFFFAOYSA-N -2 3 390.502 2.588 20 0 GFADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000630434105 565901086 /nfs/dbraw/zinc/90/10/86/565901086.db2.gz HADGZKPYJGJKEF-CZMCAQCFSA-N -2 3 380.235 2.510 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493462 565969002 /nfs/dbraw/zinc/96/90/02/565969002.db2.gz XDRYYWPRJKXEGM-ADEWGFFLSA-N -2 3 375.874 2.762 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@H](CC)C(=O)[O-] ZINC000654788002 566022923 /nfs/dbraw/zinc/02/29/23/566022923.db2.gz ZOIONTOCBJBDIH-JTQLQIEISA-N -2 3 394.287 2.627 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cc(F)ccc1F ZINC000681566585 566112296 /nfs/dbraw/zinc/11/22/96/566112296.db2.gz GDMTYORANFFBLF-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1cc(F)ccc1F ZINC000681566225 566112536 /nfs/dbraw/zinc/11/25/36/566112536.db2.gz BGXNFYJDAVHVDU-AWEZNQCLSA-N -2 3 384.385 2.679 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000656517113 566133441 /nfs/dbraw/zinc/13/34/41/566133441.db2.gz FOXDDJYILUEMGJ-XCBNKYQSSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCC1 ZINC000683140230 566183799 /nfs/dbraw/zinc/18/37/99/566183799.db2.gz OJLSDYSPYNGKJJ-LLVKDONJSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCC1 ZINC000683140231 566184370 /nfs/dbraw/zinc/18/43/70/566184370.db2.gz OJLSDYSPYNGKJJ-NSHDSACASA-N -2 3 382.663 2.634 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccs1 ZINC000683729507 566211300 /nfs/dbraw/zinc/21/13/00/566211300.db2.gz PDYWBHRZGIFKCA-JTQLQIEISA-N -2 3 375.855 2.904 20 0 GFADHL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736625163 598948178 /nfs/dbraw/zinc/94/81/78/598948178.db2.gz KUMMSBKWPRMMIA-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735755067 599024895 /nfs/dbraw/zinc/02/48/95/599024895.db2.gz BBSVENMHKGECOQ-QGZVFWFLSA-N -2 3 399.476 2.502 20 0 GFADHL CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735755067 599024897 /nfs/dbraw/zinc/02/48/97/599024897.db2.gz BBSVENMHKGECOQ-QGZVFWFLSA-N -2 3 399.476 2.502 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc2oc3ccccc3c2c1 ZINC000823582780 599234341 /nfs/dbraw/zinc/23/43/41/599234341.db2.gz AEGZCZRIBQUKDC-UHFFFAOYSA-N -2 3 392.400 2.962 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000822154785 607326794 /nfs/dbraw/zinc/32/67/94/607326794.db2.gz ZLYOILAEJIFTNH-UHFFFAOYSA-N -2 3 398.420 2.686 20 0 GFADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737345973 598548762 /nfs/dbraw/zinc/54/87/62/598548762.db2.gz YIWRPRARMYCMHS-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL CC(C)CCS(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735819226 598739349 /nfs/dbraw/zinc/73/93/49/598739349.db2.gz GWFYSZHEXGURHV-UHFFFAOYSA-N -2 3 399.476 2.639 20 0 GFADHL CC(C)CCS(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735819226 598739350 /nfs/dbraw/zinc/73/93/50/598739350.db2.gz GWFYSZHEXGURHV-UHFFFAOYSA-N -2 3 399.476 2.639 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000736487441 599313500 /nfs/dbraw/zinc/31/35/00/599313500.db2.gz FFRANMYVGGYPND-UHFFFAOYSA-N -2 3 378.483 2.859 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000820177782 607375223 /nfs/dbraw/zinc/37/52/23/607375223.db2.gz AMTQRBDWMUXQRA-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000820177782 607375224 /nfs/dbraw/zinc/37/52/24/607375224.db2.gz AMTQRBDWMUXQRA-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000738539717 599769157 /nfs/dbraw/zinc/76/91/57/599769157.db2.gz GRRAZUGZKFLIHU-UHFFFAOYSA-N -3 3 393.417 2.574 20 0 GFADHL O=C([O-])CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000739755945 599811615 /nfs/dbraw/zinc/81/16/15/599811615.db2.gz FOUWHLAAPNUOIG-QGZVFWFLSA-N -2 3 382.416 2.653 20 0 GFADHL O=C([O-])CSCc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000739871112 599987668 /nfs/dbraw/zinc/98/76/68/599987668.db2.gz ISVHHNYHLVMTSY-UHFFFAOYSA-N -2 3 385.401 2.532 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737822653 600100988 /nfs/dbraw/zinc/10/09/88/600100988.db2.gz XXPYWKBRYOWYML-UHFFFAOYSA-N -2 3 384.385 2.742 20 0 GFADHL O=C([O-])CCCOc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000739685943 600499761 /nfs/dbraw/zinc/49/97/61/600499761.db2.gz HENBEPAOYZCMRD-UHFFFAOYSA-N -2 3 380.400 2.702 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000827756219 600800545 /nfs/dbraw/zinc/80/05/45/600800545.db2.gz YVSNGLROPFYETH-SNVBAGLBSA-N -2 3 391.380 2.613 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)cc1C(=O)[O-] ZINC000030531295 600810133 /nfs/dbraw/zinc/81/01/33/600810133.db2.gz VCHJMVICWMOWOB-UHFFFAOYSA-N -2 3 388.445 2.616 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(Br)cs2)cc1C(=O)[O-] ZINC000833027395 601217051 /nfs/dbraw/zinc/21/70/51/601217051.db2.gz SAMYUMAVZOYMOZ-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCOc2ccccc2F)c1F ZINC000833293648 601229403 /nfs/dbraw/zinc/22/94/03/601229403.db2.gz BQGUEFCWBGAKEY-UHFFFAOYSA-N -2 3 389.351 2.550 20 0 GFADHL CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccco1 ZINC000737632789 601231805 /nfs/dbraw/zinc/23/18/05/601231805.db2.gz QYDMHZNXZSHBSG-HNNXBMFYSA-N -2 3 385.413 2.809 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1ccccc1F ZINC000827507451 601239321 /nfs/dbraw/zinc/23/93/21/601239321.db2.gz HLDKIDZKESKYGX-SECBINFHSA-N -2 3 389.351 2.548 20 0 GFADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000325478103 601265728 /nfs/dbraw/zinc/26/57/28/601265728.db2.gz CNYNZDFQUQQXKQ-UHFFFAOYSA-N -2 3 376.818 2.704 20 0 GFADHL CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000024427543 601319649 /nfs/dbraw/zinc/31/96/49/601319649.db2.gz WWUGJCJNDHHOJG-UHFFFAOYSA-N -2 3 395.412 2.855 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)ccc1F ZINC000047211409 601323998 /nfs/dbraw/zinc/32/39/98/601323998.db2.gz FXSGWBUCNKMMJV-UHFFFAOYSA-N -2 3 375.381 2.570 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)c1C ZINC000520101523 601326121 /nfs/dbraw/zinc/32/61/21/601326121.db2.gz LJABHPBFQQBTFN-UHFFFAOYSA-N -2 3 390.396 2.522 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1N1CCOC1=O ZINC000746055272 601334065 /nfs/dbraw/zinc/33/40/65/601334065.db2.gz BIGYYEQDIQQXQD-UHFFFAOYSA-N -2 3 394.380 2.590 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)cc1C(=O)[O-] ZINC000438725221 601334218 /nfs/dbraw/zinc/33/42/18/601334218.db2.gz NUASSYJBVKPJHS-UHFFFAOYSA-N -3 3 393.417 2.574 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Cl)cc1 ZINC000833169566 601388205 /nfs/dbraw/zinc/38/82/05/601388205.db2.gz VTVBXUSSEXZYFV-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL COc1ccc(-c2cc3[n-]c(CN4C[C@H](C)[C@@H](C(=O)[O-])C4)nc(=O)c3s2)cc1 ZINC000832116072 601513266 /nfs/dbraw/zinc/51/32/66/601513266.db2.gz GKGAHIBIIMZQQC-FZMZJTMJSA-N -2 3 399.472 2.813 20 0 GFADHL CCOC(=O)c1ccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c([O-])c1 ZINC000829881626 601757164 /nfs/dbraw/zinc/75/71/64/601757164.db2.gz PXOQJIHGWYTLOB-UHFFFAOYSA-N -2 3 387.388 2.901 20 0 GFADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc2F)c1 ZINC000466340930 601854087 /nfs/dbraw/zinc/85/40/87/601854087.db2.gz YNPJXLQCBJVYCE-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1-c1nn[n-]n1 ZINC000826303950 607536126 /nfs/dbraw/zinc/53/61/26/607536126.db2.gz NZMRMQATHARMLW-UHFFFAOYSA-N -2 3 397.464 2.907 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c(Br)o1 ZINC000315752461 602148032 /nfs/dbraw/zinc/14/80/32/602148032.db2.gz RUYAGTWSJHCBLI-VHSXEESVSA-N -2 3 386.223 2.575 20 0 GFADHL CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000159930843 602160042 /nfs/dbraw/zinc/16/00/42/602160042.db2.gz JKHWTDGWIUONLD-ZETCQYMHSA-N -2 3 386.289 2.550 20 0 GFADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)c1C ZINC000739789055 602654865 /nfs/dbraw/zinc/65/48/65/602654865.db2.gz RKYCRFXRAVCVPW-UHFFFAOYSA-N -2 3 382.369 2.811 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000740211070 603183518 /nfs/dbraw/zinc/18/35/18/603183518.db2.gz XEFGBHYTBPLFGV-XHDPSFHLSA-N -2 3 385.424 2.668 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(Br)s1)NC(=O)[O-] ZINC000826561447 603476876 /nfs/dbraw/zinc/47/68/76/603476876.db2.gz ZRVSEJYIRGDVDC-UHFFFAOYSA-N -2 3 385.305 2.615 20 0 GFADHL Cc1cccc(O[C@@H]2CCCC[C@H]2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000832972204 604511048 /nfs/dbraw/zinc/51/10/48/604511048.db2.gz QICBPHQCXAZNBI-HUUCEWRRSA-N -2 3 379.434 2.955 20 0 GFADHL COc1cc(OC)cc([C@@H](OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)C(=O)[O-])c1 ZINC000832072581 604567973 /nfs/dbraw/zinc/56/79/73/604567973.db2.gz DNHCQEXQLITZOV-QGZVFWFLSA-N -2 3 386.360 2.978 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000832955814 604809429 /nfs/dbraw/zinc/80/94/29/604809429.db2.gz LSHAMJFOCRVVID-UHFFFAOYSA-N -3 3 399.808 2.611 20 0 GFADHL COc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C(=O)[O-])cc1OC ZINC000539112055 605005873 /nfs/dbraw/zinc/00/58/73/605005873.db2.gz FCMPFJBIFATHQL-UHFFFAOYSA-N -2 3 395.433 2.990 20 0 GFADHL CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)[O-] ZINC000539684416 605022519 /nfs/dbraw/zinc/02/25/19/605022519.db2.gz GYGVKQJUWJORGV-INIZCTEOSA-N -2 3 394.424 2.610 20 0 GFADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cccc(Cl)c1Cl ZINC000823583708 606211413 /nfs/dbraw/zinc/21/14/13/606211413.db2.gz YSQROYAPVHSITJ-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)(C=Cc1ccccc1Cl)[N-]c1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823557795 606212624 /nfs/dbraw/zinc/21/26/24/606212624.db2.gz QQEBBUGFJZXVOX-BQYQJAHWSA-N -2 3 377.813 2.638 20 0 GFADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000821766500 606590996 /nfs/dbraw/zinc/59/09/96/606590996.db2.gz XYUFGVVCDPGYRE-UHFFFAOYSA-N -2 3 381.417 2.829 20 0 GFADHL CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820882244 606747856 /nfs/dbraw/zinc/74/78/56/606747856.db2.gz NFCKBWRCNJOJQY-ZDUSSCGKSA-N -2 3 399.476 2.640 20 0 GFADHL CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820882244 606747858 /nfs/dbraw/zinc/74/78/58/606747858.db2.gz NFCKBWRCNJOJQY-ZDUSSCGKSA-N -2 3 399.476 2.640 20 0 GFADHL CCCc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1 ZINC000821143379 606750799 /nfs/dbraw/zinc/75/07/99/606750799.db2.gz UFMOKQLKZSWNQG-UHFFFAOYSA-N -2 3 386.481 2.686 20 0 GFADHL O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589447 606766331 /nfs/dbraw/zinc/76/63/31/606766331.db2.gz ZNPDQHAGDVZJEQ-UHFFFAOYSA-N -2 3 398.370 2.557 20 0 GFADHL O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823589447 606766333 /nfs/dbraw/zinc/76/63/33/606766333.db2.gz ZNPDQHAGDVZJEQ-UHFFFAOYSA-N -2 3 398.370 2.557 20 0 GFADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000820524873 607219987 /nfs/dbraw/zinc/21/99/87/607219987.db2.gz BMUPDIDZRFIDSJ-SECBINFHSA-N -2 3 382.405 2.703 20 0 GFADHL COCCCCSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC000821687326 607228926 /nfs/dbraw/zinc/22/89/26/607228926.db2.gz ZBGXXTANIUCBBI-UHFFFAOYSA-N -2 3 388.453 2.557 20 0 GFADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825060158 608141754 /nfs/dbraw/zinc/14/17/54/608141754.db2.gz NWSIRIYJOTWBQI-NSHDSACASA-N -2 3 399.904 2.932 20 0 GFADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825060158 608141755 /nfs/dbraw/zinc/14/17/55/608141755.db2.gz NWSIRIYJOTWBQI-NSHDSACASA-N -2 3 399.904 2.932 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)cc(Cl)c1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826492321 608619053 /nfs/dbraw/zinc/61/90/53/608619053.db2.gz DEXOETQMMHGYHO-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)cc(Cl)c1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826492321 608619055 /nfs/dbraw/zinc/61/90/55/608619055.db2.gz DEXOETQMMHGYHO-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(C)c1O ZINC000826291541 609525953 /nfs/dbraw/zinc/52/59/53/609525953.db2.gz KOYWXJBQMMDPRC-UHFFFAOYSA-N -2 3 379.829 2.643 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1O ZINC000826291541 609525956 /nfs/dbraw/zinc/52/59/56/609525956.db2.gz KOYWXJBQMMDPRC-UHFFFAOYSA-N -2 3 379.829 2.643 20 0 GFADHL O=C([N-]c1nc(-c2cccs2)ns1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826460068 660454743 /nfs/dbraw/zinc/45/47/43/660454743.db2.gz LNPPTRJXWPEHMK-UHFFFAOYSA-N -2 3 390.841 2.747 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c(C(=O)[O-])s1 ZINC000831348534 660708751 /nfs/dbraw/zinc/70/87/51/660708751.db2.gz ZWKVCEBMEQITHW-UHFFFAOYSA-N -2 3 389.838 2.996 20 0 GFADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000048593701 654710018 /nfs/dbraw/zinc/71/00/18/654710018.db2.gz OCUMWDJCFUHUPO-UHFFFAOYSA-N -2 3 390.248 2.581 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Br)CC(=O)[O-] ZINC000276854840 655290319 /nfs/dbraw/zinc/29/03/19/655290319.db2.gz FLFAFNVMYOZWMN-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CC1 ZINC000840895014 661201682 /nfs/dbraw/zinc/20/16/82/661201682.db2.gz GYBCIPOIORFDME-FUXBKTLASA-N -2 3 382.265 2.783 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CC1CCCC1 ZINC000776555632 656757421 /nfs/dbraw/zinc/75/74/21/656757421.db2.gz QYRBSLHCTBHORN-SNVBAGLBSA-N -2 3 381.281 2.948 20 0 GFADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000776632833 656772346 /nfs/dbraw/zinc/77/23/46/656772346.db2.gz BSDRKHZEHWNYMR-QMMMGPOBSA-N -2 3 398.250 2.519 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CC1 ZINC000790590127 658000892 /nfs/dbraw/zinc/00/08/92/658000892.db2.gz MQDJOFQDNZHPSI-SECBINFHSA-N -2 3 382.663 2.634 20 0 GFADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-] ZINC000844661903 661432902 /nfs/dbraw/zinc/43/29/02/661432902.db2.gz JREKBUVVWIGNOP-GFCCVEGCSA-N -2 3 385.360 2.764 20 0 GFADHL CC(C)(C)c1cc(Br)cc([N-]S(=O)(=O)N=S(C)(C)=O)c1[O-] ZINC000901683113 663741837 /nfs/dbraw/zinc/74/18/37/663741837.db2.gz UPZJXZNACFHYKH-UHFFFAOYSA-N -2 3 399.332 2.837 20 0 GFADHL O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000909763453 664173847 /nfs/dbraw/zinc/17/38/47/664173847.db2.gz UQZRHGJEPLICJN-LBPRGKRZSA-N -2 3 382.132 2.634 20 0 GFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000055311318 551172806 /nfs/dbraw/zinc/17/28/06/551172806.db2.gz CITSRIJGTYTVEK-UHFFFAOYSA-N -2 3 378.175 2.989 20 0 GFADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)co1 ZINC000122374118 551297393 /nfs/dbraw/zinc/29/73/93/551297393.db2.gz FGNOIRAURQBMQK-UHFFFAOYSA-N -2 3 398.853 2.612 20 0 GFADHL COc1ccsc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000127260071 551338907 /nfs/dbraw/zinc/33/89/07/551338907.db2.gz JKXVVYWVJUZLGU-UHFFFAOYSA-N -2 3 378.269 2.703 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]Cc1ccc([O-])c(Br)c1 ZINC000127260071 551338910 /nfs/dbraw/zinc/33/89/10/551338910.db2.gz JKXVVYWVJUZLGU-UHFFFAOYSA-N -2 3 378.269 2.703 20 0 GFADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1cc(F)cc(F)c1 ZINC000127269586 551339540 /nfs/dbraw/zinc/33/95/40/551339540.db2.gz GJBBSTYOHKCHDG-UHFFFAOYSA-N -2 3 378.194 2.911 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)c(Br)c1 ZINC000130302541 551362631 /nfs/dbraw/zinc/36/26/31/551362631.db2.gz GMOBRXBRBXDZEP-UHFFFAOYSA-N -2 3 390.177 2.768 20 0 GFADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c(C)c1 ZINC000135325654 551387147 /nfs/dbraw/zinc/38/71/47/551387147.db2.gz VSVUEJPGPUUOCD-UHFFFAOYSA-N -2 3 386.470 2.923 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1Cl ZINC000135326167 551387229 /nfs/dbraw/zinc/38/72/29/551387229.db2.gz VKSVNYXQVFZJCP-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])sc1Br ZINC000164894802 551627522 /nfs/dbraw/zinc/62/75/22/551627522.db2.gz VGRAMYHDQMTXLK-UFBFGSQYSA-N -2 3 382.301 2.741 20 0 GFADHL CC1CCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CC1 ZINC000184916405 552347559 /nfs/dbraw/zinc/34/75/59/552347559.db2.gz XCGFBWDTUHUABL-UHFFFAOYSA-N -2 3 395.308 2.702 20 0 GFADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CN1C1CC1 ZINC000185104363 552354034 /nfs/dbraw/zinc/35/40/34/552354034.db2.gz GPXAYEWWNBONLV-PSASIEDQSA-N -2 3 393.292 2.595 20 0 GFADHL CC(C)(CCC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000236576933 553069179 /nfs/dbraw/zinc/06/91/79/553069179.db2.gz YFBBFKWOZOFHPH-UHFFFAOYSA-N -2 3 381.226 2.664 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000314334704 563438332 /nfs/dbraw/zinc/43/83/32/563438332.db2.gz RVUQYJBKDSUPRS-LBPRGKRZSA-N -2 3 394.287 2.625 20 0 GFADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000317442690 563442196 /nfs/dbraw/zinc/44/21/96/563442196.db2.gz UVICNRPUXZCMCG-LBPRGKRZSA-N -2 3 394.287 2.625 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000317388929 563442286 /nfs/dbraw/zinc/44/22/86/563442286.db2.gz MEKFWWDVZAYGOL-JTQLQIEISA-N -2 3 394.287 2.627 20 0 GFADHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000326458309 563455012 /nfs/dbraw/zinc/45/50/12/563455012.db2.gz YBJJVJVQBHXDSP-VIFPVBQESA-N -2 3 384.763 2.533 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)c1nccs1 ZINC000391673840 563525391 /nfs/dbraw/zinc/52/53/91/563525391.db2.gz OELQRKZEBMXTES-SNVBAGLBSA-N -2 3 390.870 2.933 20 0 GFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000391647615 563525407 /nfs/dbraw/zinc/52/54/07/563525407.db2.gz IYSCXHHSRQZMDB-UHFFFAOYSA-N -2 3 389.838 2.980 20 0 GFADHL Cc1nn(C)c(S(=O)(=O)[N-]c2cc([O-])cc(Br)c2)c1C(F)F ZINC000414386964 563731991 /nfs/dbraw/zinc/73/19/91/563731991.db2.gz VRHRDPPCUZFISJ-UHFFFAOYSA-N -2 3 396.213 2.935 20 0 GFADHL CC(C)(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416637665 563856556 /nfs/dbraw/zinc/85/65/56/563856556.db2.gz UTCABSXJUXOCTJ-TZMCWYRMSA-N -2 3 392.518 2.690 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](CCSc2ccccc2)C(=O)[O-])s1 ZINC000563662090 564201084 /nfs/dbraw/zinc/20/10/84/564201084.db2.gz RNXSPCZQCSOHOV-CYBMUJFWSA-N -2 3 386.520 2.674 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])ccc1[O-] ZINC000563916424 564212528 /nfs/dbraw/zinc/21/25/28/564212528.db2.gz QFYABFQRRCUTPC-UHFFFAOYSA-N -3 3 384.797 2.503 20 0 GFADHL O=C([O-])[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)CC1CC1 ZINC000564091164 564220408 /nfs/dbraw/zinc/22/04/08/564220408.db2.gz GCSCSGVDDYPHFV-JTQLQIEISA-N -2 3 393.237 2.521 20 0 GFADHL CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000451105337 564275855 /nfs/dbraw/zinc/27/58/55/564275855.db2.gz UQBSEXUMTFJTFJ-UHFFFAOYSA-N -2 3 393.487 2.578 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000565704340 564291905 /nfs/dbraw/zinc/29/19/05/564291905.db2.gz BMFRDSZCZKFNPG-APPZFPTMSA-N -2 3 382.663 2.634 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541910288 564294496 /nfs/dbraw/zinc/29/44/96/564294496.db2.gz SIULDCJJXOERAT-BXUZGUMPSA-N -2 3 394.262 2.900 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000566615435 564334418 /nfs/dbraw/zinc/33/44/18/564334418.db2.gz KBCUQGYHISNFQN-UFBFGSQYSA-N -2 3 385.816 2.965 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000566851101 564346557 /nfs/dbraw/zinc/34/65/57/564346557.db2.gz KOGJWCRIXFQIKP-GZMMTYOYSA-N -2 3 387.351 2.748 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)c1 ZINC000479883010 564452825 /nfs/dbraw/zinc/45/28/25/564452825.db2.gz QJLBKBOVSGGWPE-UHFFFAOYSA-N -2 3 381.353 2.665 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000547552678 564493461 /nfs/dbraw/zinc/49/34/61/564493461.db2.gz JGMNYBZJJMZWBL-JTQLQIEISA-N -2 3 391.873 2.542 20 0 GFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547561630 564494090 /nfs/dbraw/zinc/49/40/90/564494090.db2.gz BAAVKRPJVFYVPX-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)CC(=O)[O-] ZINC000516573611 564506296 /nfs/dbraw/zinc/50/62/96/564506296.db2.gz ANZUNPTWEYEBCB-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1C ZINC000547869478 564513999 /nfs/dbraw/zinc/51/39/99/564513999.db2.gz KECHABYOXHVFNU-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL Cc1cc(CS(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)on1 ZINC000547937074 564523894 /nfs/dbraw/zinc/52/38/94/564523894.db2.gz ZMUAXGJLZGLGHO-ZDUSSCGKSA-N -2 3 393.248 2.925 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)Cc1ccc(Cl)cc1 ZINC000548528557 564555423 /nfs/dbraw/zinc/55/54/23/564555423.db2.gz GVMRORBZOGOEJD-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1F ZINC000548562608 564561133 /nfs/dbraw/zinc/56/11/33/564561133.db2.gz XJQLDXNUIHIDTN-CYBMUJFWSA-N -2 3 377.315 2.737 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548591793 564565344 /nfs/dbraw/zinc/56/53/44/564565344.db2.gz ONARZUDZZGRUDL-VXGBXAGGSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000548768252 564574011 /nfs/dbraw/zinc/57/40/11/564574011.db2.gz JPOZINFKCWIXFW-LLVKDONJSA-N -2 3 380.388 2.802 20 0 GFADHL C[C@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000484776608 564597972 /nfs/dbraw/zinc/59/79/72/564597972.db2.gz ATBOMHSMQIDZFF-FZMZJTMJSA-N -2 3 392.518 2.690 20 0 GFADHL COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000572769914 564608794 /nfs/dbraw/zinc/60/87/94/564608794.db2.gz ABIUFMCVVDBOKZ-AWEZNQCLSA-N -2 3 387.841 2.914 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c(Br)c1 ZINC000485344084 564612771 /nfs/dbraw/zinc/61/27/71/564612771.db2.gz FKODWYLFPJWCJS-MRVPVSSYSA-N -2 3 398.225 2.861 20 0 GFADHL CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1F ZINC000485460178 564616661 /nfs/dbraw/zinc/61/66/61/564616661.db2.gz HDJFDKSJZLTBPH-UHFFFAOYSA-N -2 3 386.788 2.801 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cc(F)cc(Br)c2)c1 ZINC000550868856 564633626 /nfs/dbraw/zinc/63/36/26/564633626.db2.gz RRRSKVDVYJVXPM-UHFFFAOYSA-N -2 3 394.243 2.826 20 0 GFADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000521948914 564639765 /nfs/dbraw/zinc/63/97/65/564639765.db2.gz MVOLITCFIPGZTO-UHFFFAOYSA-N -2 3 379.381 2.986 20 0 GFADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000489406566 564739040 /nfs/dbraw/zinc/73/90/40/564739040.db2.gz JUSVDYHAZAVIMY-UHFFFAOYSA-N -2 3 384.237 2.633 20 0 GFADHL CC1([C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C(=O)[O-])CCCCC1 ZINC000554532719 564764805 /nfs/dbraw/zinc/76/48/05/564764805.db2.gz YRNYNNXJQOZWQU-GFCCVEGCSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000555426797 564793074 /nfs/dbraw/zinc/79/30/74/564793074.db2.gz ZSIYPJMHTNEYIF-DOMZBBRYSA-N -2 3 393.864 2.542 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)CC(=O)[O-] ZINC000581465497 564803376 /nfs/dbraw/zinc/80/33/76/564803376.db2.gz MORBCGFQWJKYFO-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CCCc1nc(=NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s[n-]1 ZINC000461880411 564807012 /nfs/dbraw/zinc/80/70/12/564807012.db2.gz ATMSNRHGGOEBFT-UHFFFAOYSA-N -2 3 395.337 2.610 20 0 GFADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000581542368 564807196 /nfs/dbraw/zinc/80/71/96/564807196.db2.gz KCPAZEGMWAORJJ-VHSXEESVSA-N -2 3 393.237 2.616 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000556778334 564840065 /nfs/dbraw/zinc/84/00/65/564840065.db2.gz NJJKLXIIFPGOKL-ZCFIWIBFSA-N -2 3 380.171 2.925 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000556890022 564845094 /nfs/dbraw/zinc/84/50/94/564845094.db2.gz UDRCDKWKVVMJRN-SECBINFHSA-N -2 3 382.251 2.676 20 0 GFADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000530367380 564877906 /nfs/dbraw/zinc/87/79/06/564877906.db2.gz FDMXDAIJCNOMDW-LLVKDONJSA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2CCN(c3ccccc3)CC2)c1 ZINC000530421720 564880345 /nfs/dbraw/zinc/88/03/45/564880345.db2.gz WMMJHINIDAFQGO-UHFFFAOYSA-N -2 3 380.491 2.641 20 0 GFADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000530526318 564885717 /nfs/dbraw/zinc/88/57/17/564885717.db2.gz GLVPQGHRLVIBQK-LLVKDONJSA-N -2 3 380.235 2.510 20 0 GFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C(=O)[O-] ZINC000534146532 564981423 /nfs/dbraw/zinc/98/14/23/564981423.db2.gz GUSIHAXRFFKORC-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)sc1C(=O)[O-] ZINC000562320649 565024193 /nfs/dbraw/zinc/02/41/93/565024193.db2.gz MCGHCFWJEXFQMU-UHFFFAOYSA-N -2 3 378.834 2.562 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)c(OC)c1 ZINC000536388038 565035969 /nfs/dbraw/zinc/03/59/69/565035969.db2.gz XVDVOQRPRBMGRM-UHFFFAOYSA-N -2 3 384.479 2.648 20 0 GFADHL CCn1cc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)cc1C(=O)[O-] ZINC000504246149 565036436 /nfs/dbraw/zinc/03/64/36/565036436.db2.gz JIRZIUDRZYFXPO-UHFFFAOYSA-N -2 3 385.829 2.619 20 0 GFADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCCOc2c(Cl)cccc21 ZINC000563069025 565053933 /nfs/dbraw/zinc/05/39/33/565053933.db2.gz ORBVFJIVEPUQGK-JTQLQIEISA-N -2 3 388.854 2.687 20 0 GFADHL Cc1nc(C)c(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)s1 ZINC000614287442 565105785 /nfs/dbraw/zinc/10/57/85/565105785.db2.gz UQVQBFUQEJVHKU-UHFFFAOYSA-N -2 3 395.491 2.665 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c[n-]1 ZINC000585730233 565107463 /nfs/dbraw/zinc/10/74/63/565107463.db2.gz FIBNMJBNSUTZMY-UHFFFAOYSA-N -2 3 381.307 2.545 20 0 GFADHL CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000590610565 565194462 /nfs/dbraw/zinc/19/44/62/565194462.db2.gz ZBCGDDSRPYYTGT-IUODEOHRSA-N -2 3 392.518 2.834 20 0 GFADHL Cc1nn(C)c(S(=O)(=O)[N-]c2cccc([O-])c2Br)c1C(F)F ZINC000641690566 565394703 /nfs/dbraw/zinc/39/47/03/565394703.db2.gz ZIIJADRFNCGDLV-UHFFFAOYSA-N -2 3 396.213 2.935 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C1CCC1 ZINC000663253679 565404326 /nfs/dbraw/zinc/40/43/26/565404326.db2.gz BIMZGJIVWWWSEG-JTQLQIEISA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCC1 ZINC000663256325 565404360 /nfs/dbraw/zinc/40/43/60/565404360.db2.gz NDHGNUWBHCISQY-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCC1(CSC)CC1 ZINC000594721832 565410853 /nfs/dbraw/zinc/41/08/53/565410853.db2.gz ZUVLFPAALBBKSO-UHFFFAOYSA-N -2 3 393.914 2.858 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CC[C@H]2CSc3ccccc3O2)oc1C(=O)[O-] ZINC000663427187 565420680 /nfs/dbraw/zinc/42/06/80/565420680.db2.gz RXCQZIILECZTJU-NSHDSACASA-N -2 3 383.447 2.508 20 0 GFADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650389663 565816991 /nfs/dbraw/zinc/81/69/91/565816991.db2.gz VGVHQUIYTXRDQW-MRVPVSSYSA-N -2 3 375.752 2.770 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)CC1CC1 ZINC000650430861 565821447 /nfs/dbraw/zinc/82/14/47/565821447.db2.gz AAFBJRSLHJSIPB-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)CC1CC1 ZINC000650430729 565821577 /nfs/dbraw/zinc/82/15/77/565821577.db2.gz VRJIUIPKFLTACN-VIFPVBQESA-N -2 3 385.335 2.504 20 0 GFADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000656168771 566108807 /nfs/dbraw/zinc/10/88/07/566108807.db2.gz KYVFVZZWCNNXOA-WDEREUQCSA-N -2 3 382.265 2.540 20 0 GFADHL COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000656180578 566111776 /nfs/dbraw/zinc/11/17/76/566111776.db2.gz KKNDDHGTOYNTQE-LLVKDONJSA-N -2 3 393.889 2.776 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)[C@H]1CCCCO1 ZINC000656179889 566111961 /nfs/dbraw/zinc/11/19/61/566111961.db2.gz BYGDELHYNPRSEB-CHWSQXEVSA-N -2 3 391.873 2.673 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C3CC3)s2)cs1 ZINC000656724193 566157976 /nfs/dbraw/zinc/15/79/76/566157976.db2.gz KQJJYFNRHUHXHG-LLVKDONJSA-N -2 3 386.520 2.959 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000682536206 566161271 /nfs/dbraw/zinc/16/12/71/566161271.db2.gz DDMIWFCGPXYFLA-GFCCVEGCSA-N -2 3 375.874 2.908 20 0 GFADHL CC(C)C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735755066 599024966 /nfs/dbraw/zinc/02/49/66/599024966.db2.gz BBSVENMHKGECOQ-KRWDZBQOSA-N -2 3 399.476 2.502 20 0 GFADHL CC(C)C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735755066 599024967 /nfs/dbraw/zinc/02/49/67/599024967.db2.gz BBSVENMHKGECOQ-KRWDZBQOSA-N -2 3 399.476 2.502 20 0 GFADHL O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000738344189 599099134 /nfs/dbraw/zinc/09/91/34/599099134.db2.gz BLDGLPNLDGVWTK-UHFFFAOYSA-N -2 3 383.355 2.772 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736444133 599218685 /nfs/dbraw/zinc/21/86/85/599218685.db2.gz DMQYPWIXNMEXAR-CYBMUJFWSA-N -2 3 379.486 2.668 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736444133 599218688 /nfs/dbraw/zinc/21/86/88/599218688.db2.gz DMQYPWIXNMEXAR-CYBMUJFWSA-N -2 3 379.486 2.668 20 0 GFADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)CC(C)(C)C ZINC000735975610 598414878 /nfs/dbraw/zinc/41/48/78/598414878.db2.gz NELZNCKPPPGSNC-JTQLQIEISA-N -2 3 399.904 2.787 20 0 GFADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)CC(C)(C)C ZINC000735975610 598414880 /nfs/dbraw/zinc/41/48/80/598414880.db2.gz NELZNCKPPPGSNC-JTQLQIEISA-N -2 3 399.904 2.787 20 0 GFADHL CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736439294 598415000 /nfs/dbraw/zinc/41/50/00/598415000.db2.gz OIGXUWCZGXSOQR-JTQLQIEISA-N -2 3 385.877 2.541 20 0 GFADHL CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736439294 598415001 /nfs/dbraw/zinc/41/50/01/598415001.db2.gz OIGXUWCZGXSOQR-JTQLQIEISA-N -2 3 385.877 2.541 20 0 GFADHL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)nc21 ZINC000737328632 598438277 /nfs/dbraw/zinc/43/82/77/598438277.db2.gz GJMNIDGFLFFPLE-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)nc21 ZINC000737328632 598438280 /nfs/dbraw/zinc/43/82/80/598438280.db2.gz GJMNIDGFLFFPLE-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C)c3)ccc21 ZINC000066290383 599925792 /nfs/dbraw/zinc/92/57/92/599925792.db2.gz BTIWFQDBIIBMAQ-UHFFFAOYSA-N -2 3 388.445 2.793 20 0 GFADHL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000739874592 599926972 /nfs/dbraw/zinc/92/69/72/599926972.db2.gz RQOYWKHIOUEELW-UHFFFAOYSA-N -2 3 379.459 2.740 20 0 GFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000740242889 600245378 /nfs/dbraw/zinc/24/53/78/600245378.db2.gz WAQXWWNVSHJZAF-IRXDYDNUSA-N -2 3 391.445 2.868 20 0 GFADHL Cc1nc(C)c(CCC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(=O)[n-]1 ZINC000832994616 600806319 /nfs/dbraw/zinc/80/63/19/600806319.db2.gz NRTHQQMBFLLEKC-HNNXBMFYSA-N -2 3 377.828 2.717 20 0 GFADHL COC(=O)c1sc2[n-]c(CS[C@@H](C)C(C)C)nc(=O)c2c1CC(=O)[O-] ZINC000831480194 600845104 /nfs/dbraw/zinc/84/51/04/600845104.db2.gz YLMBDIUKHNVVIP-QMMMGPOBSA-N -2 3 384.479 2.676 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000285282106 600890226 /nfs/dbraw/zinc/89/02/26/600890226.db2.gz ZHJPIUSWFSNFBJ-UHFFFAOYSA-N -2 3 379.434 2.828 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C(=O)[O-] ZINC000833028701 601216515 /nfs/dbraw/zinc/21/65/15/601216515.db2.gz OAUFXSHXLDFCSD-JTQLQIEISA-N -2 3 392.433 2.674 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1C(=O)[O-] ZINC000833028996 601224516 /nfs/dbraw/zinc/22/45/16/601224516.db2.gz VZDGRUGZFVBZJT-MRVPVSSYSA-N -2 3 395.368 2.515 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)c1F ZINC000833293626 601228696 /nfs/dbraw/zinc/22/86/96/601228696.db2.gz BBKMSRSPHCINOY-UHFFFAOYSA-N -2 3 380.372 2.665 20 0 GFADHL COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832546343 601236308 /nfs/dbraw/zinc/23/63/08/601236308.db2.gz XYUIWEMCILVUNF-JTQLQIEISA-N -2 3 385.388 2.581 20 0 GFADHL Cc1csc(C2([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3F)CCC2)n1 ZINC000832989990 601239724 /nfs/dbraw/zinc/23/97/24/601239724.db2.gz YUFDNZNMOKIKJE-UHFFFAOYSA-N -2 3 388.417 2.786 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)c(Cl)cc1Cl ZINC000776493012 601245572 /nfs/dbraw/zinc/24/55/72/601245572.db2.gz DEAOKKGGKNDDCF-NSHDSACASA-N -2 3 398.264 2.558 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1C(=O)N(C)C ZINC000507933630 601250605 /nfs/dbraw/zinc/25/06/05/601250605.db2.gz CKYZOCYOLIXVLW-UHFFFAOYSA-N -2 3 376.434 2.504 20 0 GFADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)o1 ZINC000829412519 601251399 /nfs/dbraw/zinc/25/13/99/601251399.db2.gz VXCLLEOVGFUYIJ-BDJZEXMMSA-N -2 3 379.434 2.606 20 0 GFADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000826419022 607530146 /nfs/dbraw/zinc/53/01/46/607530146.db2.gz GRBAYSBZSRUKMJ-UHFFFAOYSA-N -2 3 393.325 2.512 20 0 GFADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000826419022 607530147 /nfs/dbraw/zinc/53/01/47/607530147.db2.gz GRBAYSBZSRUKMJ-UHFFFAOYSA-N -2 3 393.325 2.512 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)[O-])cc2)n1 ZINC000740054230 601910243 /nfs/dbraw/zinc/91/02/43/601910243.db2.gz JVYNUZUQUXEARN-PVAVHDDUSA-N -2 3 396.447 2.995 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826304067 607535447 /nfs/dbraw/zinc/53/54/47/607535447.db2.gz UUCDCQOCBMDUTP-UHFFFAOYSA-N -2 3 387.465 2.901 20 0 GFADHL C[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000827592093 601956246 /nfs/dbraw/zinc/95/62/46/601956246.db2.gz GOTZHDFDULUQLH-VIFPVBQESA-N -2 3 388.239 2.650 20 0 GFADHL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826208567 607532427 /nfs/dbraw/zinc/53/24/27/607532427.db2.gz QHQLJOKQCSKVLN-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826208567 607532428 /nfs/dbraw/zinc/53/24/28/607532428.db2.gz QHQLJOKQCSKVLN-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CCCCC2)c(Br)o1 ZINC000055329589 602143922 /nfs/dbraw/zinc/14/39/22/602143922.db2.gz QJDFIZQHMLWFQW-UHFFFAOYSA-N -2 3 380.260 2.989 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c(Br)o1 ZINC000833303435 602153418 /nfs/dbraw/zinc/15/34/18/602153418.db2.gz SIMQISYZQKCYNU-UHFFFAOYSA-N -2 3 386.223 2.708 20 0 GFADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000677234890 602321821 /nfs/dbraw/zinc/32/18/21/602321821.db2.gz RULDEFSLROGOPV-UHFFFAOYSA-N -2 3 383.397 2.740 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCN(C(=O)[O-])C2)c1Cl ZINC000740131540 602457009 /nfs/dbraw/zinc/45/70/09/602457009.db2.gz FSEYTQHGPSBEOS-SNVBAGLBSA-N -2 3 381.281 2.970 20 0 GFADHL CCc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1F ZINC000825718003 607684159 /nfs/dbraw/zinc/68/41/59/607684159.db2.gz SVHAQRJJOLQQBJ-UHFFFAOYSA-N -2 3 383.355 2.647 20 0 GFADHL CCc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1F ZINC000825718003 607684160 /nfs/dbraw/zinc/68/41/60/607684160.db2.gz SVHAQRJJOLQQBJ-UHFFFAOYSA-N -2 3 383.355 2.647 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCCCC1 ZINC000760117469 604473589 /nfs/dbraw/zinc/47/35/89/604473589.db2.gz CXPGLGVXAVYZFP-UHFFFAOYSA-N -2 3 380.235 2.654 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)NC3(CNC(=O)[O-])CCCC3)cc2)cc(=O)[n-]1 ZINC000830684877 604632387 /nfs/dbraw/zinc/63/23/87/604632387.db2.gz AVEORTUARZFBLN-UHFFFAOYSA-N -2 3 385.424 2.860 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000822223587 606468891 /nfs/dbraw/zinc/46/88/91/606468891.db2.gz CETDEBYELIUSRQ-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821042448 606612564 /nfs/dbraw/zinc/61/25/64/606612564.db2.gz AVGVASHHXYDXPW-UHFFFAOYSA-N -2 3 399.904 2.932 20 0 GFADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821042448 606612565 /nfs/dbraw/zinc/61/25/65/606612565.db2.gz AVGVASHHXYDXPW-UHFFFAOYSA-N -2 3 399.904 2.932 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821043622 606746133 /nfs/dbraw/zinc/74/61/33/606746133.db2.gz QSOJRJMIBRLYLK-MRXNPFEDSA-N -2 3 393.513 2.665 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821043622 606746135 /nfs/dbraw/zinc/74/61/35/606746135.db2.gz QSOJRJMIBRLYLK-MRXNPFEDSA-N -2 3 393.513 2.665 20 0 GFADHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822034433 606864238 /nfs/dbraw/zinc/86/42/38/606864238.db2.gz CSBLEPUCYWMOAD-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822034433 606864240 /nfs/dbraw/zinc/86/42/40/606864240.db2.gz CSBLEPUCYWMOAD-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL COc1c(C)ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1C ZINC000821698759 606864268 /nfs/dbraw/zinc/86/42/68/606864268.db2.gz XGOYHEFRTVRMLU-UHFFFAOYSA-N -2 3 395.391 2.571 20 0 GFADHL COc1c(C)ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1C ZINC000821698759 606864270 /nfs/dbraw/zinc/86/42/70/606864270.db2.gz XGOYHEFRTVRMLU-UHFFFAOYSA-N -2 3 395.391 2.571 20 0 GFADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000826451330 608087017 /nfs/dbraw/zinc/08/70/17/608087017.db2.gz BIBIMDMPPQOKKT-UHFFFAOYSA-N -2 3 395.604 2.636 20 0 GFADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC000826451330 608087018 /nfs/dbraw/zinc/08/70/18/608087018.db2.gz BIBIMDMPPQOKKT-UHFFFAOYSA-N -2 3 395.604 2.636 20 0 GFADHL CCCCCC[C@](C)(NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000825268806 609258959 /nfs/dbraw/zinc/25/89/59/609258959.db2.gz YTJTXJKXKDBXHF-YJYMSZOUSA-N -2 3 389.456 2.564 20 0 GFADHL CCCCCC[C@](C)(NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000825268806 609258960 /nfs/dbraw/zinc/25/89/60/609258960.db2.gz YTJTXJKXKDBXHF-YJYMSZOUSA-N -2 3 389.456 2.564 20 0 GFADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493210 609530912 /nfs/dbraw/zinc/53/09/12/609530912.db2.gz YWVDCJHUZRFEQH-UHFFFAOYSA-N -2 3 397.819 2.669 20 0 GFADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493210 609530914 /nfs/dbraw/zinc/53/09/14/609530914.db2.gz YWVDCJHUZRFEQH-UHFFFAOYSA-N -2 3 397.819 2.669 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000818430308 660225741 /nfs/dbraw/zinc/22/57/41/660225741.db2.gz HOVJMTZRLVBUKT-UHFFFAOYSA-N -2 3 397.902 2.666 20 0 GFADHL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000824094268 660385418 /nfs/dbraw/zinc/38/54/18/660385418.db2.gz QOCGRALQUGXIQC-UHFFFAOYSA-N -2 3 378.483 2.713 20 0 GFADHL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000824094268 660385421 /nfs/dbraw/zinc/38/54/21/660385421.db2.gz QOCGRALQUGXIQC-UHFFFAOYSA-N -2 3 378.483 2.713 20 0 GFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837288466 660982524 /nfs/dbraw/zinc/98/25/24/660982524.db2.gz FIOXYDSYLILXIZ-ZETCQYMHSA-N -2 3 399.694 2.665 20 0 GFADHL O=C(Nc1ncccc1[O-])c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000044948527 654664818 /nfs/dbraw/zinc/66/48/18/654664818.db2.gz YTBVRMBTGPFNHJ-UHFFFAOYSA-N -2 3 375.431 2.902 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)c1Cl ZINC000179947410 655319880 /nfs/dbraw/zinc/31/98/80/655319880.db2.gz OMHZCYKJWGDRMK-UHFFFAOYSA-N -2 3 375.837 2.820 20 0 GFADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCCCc1ccc(Cl)s1 ZINC000575985723 655441558 /nfs/dbraw/zinc/44/15/58/655441558.db2.gz ZNHMJALVMCPUSI-UHFFFAOYSA-N -2 3 380.900 2.857 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])c(F)cc1Br ZINC000578499135 655480372 /nfs/dbraw/zinc/48/03/72/655480372.db2.gz NLMUZCPASSTNHO-QMMMGPOBSA-N -2 3 382.251 2.676 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)c(F)cc1F ZINC000761243147 656004633 /nfs/dbraw/zinc/00/46/33/656004633.db2.gz QFEBSLQZJXUSMD-UHFFFAOYSA-N -2 3 375.780 2.837 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCOC2CCCCC2)c(F)cc1F ZINC000761242320 656004656 /nfs/dbraw/zinc/00/46/56/656004656.db2.gz LJXTYHJPOWSDCQ-UHFFFAOYSA-N -2 3 377.409 2.681 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)ccc1Cl ZINC000780415593 657004819 /nfs/dbraw/zinc/00/48/19/657004819.db2.gz IXDKBIVJSBYEDX-UHFFFAOYSA-N -2 3 383.809 2.617 20 0 GFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000798409034 659099892 /nfs/dbraw/zinc/09/98/92/659099892.db2.gz ONCFFCSPASZYSD-WCBMZHEXSA-N -2 3 382.251 2.756 20 0 GFADHL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c1 ZINC000844806291 661441376 /nfs/dbraw/zinc/44/13/76/661441376.db2.gz VSYLLXPGWHAAIF-SECBINFHSA-N -2 3 383.800 2.567 20 0 GFADHL CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)[C@H]2CCO[C@@H]21 ZINC000844896895 661446908 /nfs/dbraw/zinc/44/69/08/661446908.db2.gz ZKIQFGILBLHSEF-WQHBLYJGSA-N -2 3 394.276 2.783 20 0 GFADHL CCOCc1nc(C)cc(=N[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[n-]1 ZINC000901740083 663744392 /nfs/dbraw/zinc/74/43/92/663744392.db2.gz ZAFKJZDCVRKLHL-UHFFFAOYSA-N -2 3 391.280 2.934 20 0 GFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000400469606 563534376 /nfs/dbraw/zinc/53/43/76/563534376.db2.gz PTOGNLAIVFSKPC-ONGXEEELSA-N -2 3 394.287 2.625 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000121667758 551239218 /nfs/dbraw/zinc/23/92/18/551239218.db2.gz PGLCTJAOVFFCNH-UHFFFAOYSA-N -2 3 390.433 2.754 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(Cl)cc1[O-] ZINC000153483112 551453835 /nfs/dbraw/zinc/45/38/35/551453835.db2.gz KBKHGNRSBHGJEX-UHFFFAOYSA-N -2 3 381.262 2.678 20 0 GFADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000324006048 563451697 /nfs/dbraw/zinc/45/16/97/563451697.db2.gz KDIZZQKJBQTZSG-KCJUWKMLSA-N -2 3 384.281 2.929 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)sc1C(=O)[O-] ZINC000324871065 563453160 /nfs/dbraw/zinc/45/31/60/563453160.db2.gz XOHQSMIUTIYCIX-UHFFFAOYSA-N -2 3 380.369 2.647 20 0 GFADHL CCCSC[C@@H](NCc1ccc(OC)c([O-])c1Br)C(=O)[O-] ZINC000426776279 563456089 /nfs/dbraw/zinc/45/60/89/563456089.db2.gz XNITWYDNNLYWLL-SNVBAGLBSA-N -2 3 378.288 2.849 20 0 GFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000389640649 563522237 /nfs/dbraw/zinc/52/22/37/563522237.db2.gz KWXMHGZNELWINZ-MGCOHNPYSA-N -2 3 394.262 2.758 20 0 GFADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c(F)c1 ZINC000392653965 563526979 /nfs/dbraw/zinc/52/69/79/563526979.db2.gz NQMPXISEIIFLAW-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000400469602 563534613 /nfs/dbraw/zinc/53/46/13/563534613.db2.gz PTOGNLAIVFSKPC-KOLCDFICSA-N -2 3 394.287 2.625 20 0 GFADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCOc3ccc(Cl)cc32)c1 ZINC000436584846 563674585 /nfs/dbraw/zinc/67/45/85/563674585.db2.gz QNUJKESQVWARBD-UHFFFAOYSA-N -2 3 383.809 2.640 20 0 GFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000436663035 563676149 /nfs/dbraw/zinc/67/61/49/563676149.db2.gz HZNOEGIDQZPTED-UHFFFAOYSA-N -2 3 375.324 2.998 20 0 GFADHL COc1cc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)c(Cl)cc1C(=O)[O-] ZINC000414395826 563733760 /nfs/dbraw/zinc/73/37/60/563733760.db2.gz RIQWWRLIRJAIKY-ZETCQYMHSA-N -2 3 389.779 2.914 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2CCN(c3cccc(F)c3)CC2)c1 ZINC000364251492 563747583 /nfs/dbraw/zinc/74/75/83/563747583.db2.gz KBIXKPYVONGBBE-UHFFFAOYSA-N -2 3 384.454 2.533 20 0 GFADHL CC(C)CC(CC(C)C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000507571850 564232317 /nfs/dbraw/zinc/23/23/17/564232317.db2.gz WJLIAMJIMPZBNI-UHFFFAOYSA-N -2 3 394.534 2.936 20 0 GFADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000564809063 564250074 /nfs/dbraw/zinc/25/00/74/564250074.db2.gz LBJDJXSVAGWVOY-SNVBAGLBSA-N -2 3 383.800 2.863 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)CCC2CC2)c(F)c1 ZINC000451404326 564309209 /nfs/dbraw/zinc/30/92/09/564309209.db2.gz NVJJNLIEKUSBPY-GFCCVEGCSA-N -2 3 392.518 2.834 20 0 GFADHL CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000566175343 564314578 /nfs/dbraw/zinc/31/45/78/564314578.db2.gz ZSZBIVQVJIVEMX-CHWSQXEVSA-N -2 3 391.486 2.875 20 0 GFADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000566915515 564350104 /nfs/dbraw/zinc/35/01/04/564350104.db2.gz KXEUWBGCBFQDLJ-GFCCVEGCSA-N -2 3 394.287 2.625 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)C(F)(F)F ZINC000568542336 564423267 /nfs/dbraw/zinc/42/32/67/564423267.db2.gz WVRAKWVVDKWZJL-ZETCQYMHSA-N -2 3 395.277 2.517 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1ccccc1 ZINC000513204518 564423806 /nfs/dbraw/zinc/42/38/06/564423806.db2.gz SJTBWQHRCAYBGQ-ZDUSSCGKSA-N -2 3 388.214 2.692 20 0 GFADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3C)CCC2)n1 ZINC000546251901 564450428 /nfs/dbraw/zinc/45/04/28/564450428.db2.gz AOGHTSUYLTXYOO-UHFFFAOYSA-N -2 3 384.454 2.955 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cs1 ZINC000547545414 564492439 /nfs/dbraw/zinc/49/24/39/564492439.db2.gz MYRSAVDRZRHRDY-UHFFFAOYSA-N -2 3 375.811 2.687 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000547576793 564496749 /nfs/dbraw/zinc/49/67/49/564496749.db2.gz VNAHQOOGWWIOOA-WCQYABFASA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1c(F)cccc1F ZINC000547612603 564502194 /nfs/dbraw/zinc/50/21/94/564502194.db2.gz MMCWMHPYOXSQCC-CQSZACIVSA-N -2 3 384.385 2.679 20 0 GFADHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000547611442 564502434 /nfs/dbraw/zinc/50/24/34/564502434.db2.gz GJKYACBDOIVBAT-AWEZNQCLSA-N -2 3 385.228 2.969 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1ccsc1 ZINC000547613061 564503184 /nfs/dbraw/zinc/50/31/84/564503184.db2.gz SDFRMEGZKMNKBO-QMMMGPOBSA-N -2 3 382.282 2.676 20 0 GFADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(=O)[O-] ZINC000547613152 564503428 /nfs/dbraw/zinc/50/34/28/564503428.db2.gz YTKQVMPARPNYJG-GXFFZTMASA-N -2 3 391.873 2.684 20 0 GFADHL Cc1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)sc1C(=O)[O-] ZINC000547872837 564515113 /nfs/dbraw/zinc/51/51/13/564515113.db2.gz LYBDUTQPBPHENK-UHFFFAOYSA-N -2 3 395.289 2.978 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000547880478 564515445 /nfs/dbraw/zinc/51/54/45/564515445.db2.gz MLGFIQMGSNUGFF-MRVPVSSYSA-N -2 3 390.177 2.609 20 0 GFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000547894283 564517489 /nfs/dbraw/zinc/51/74/89/564517489.db2.gz PXOMEVQHYABFFV-SECBINFHSA-N -2 3 382.251 2.900 20 0 GFADHL CCn1cnc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000547906858 564519031 /nfs/dbraw/zinc/51/90/31/564519031.db2.gz RUHHHPQJKKHARG-LBPRGKRZSA-N -2 3 392.264 2.704 20 0 GFADHL CCCCN(C)S(=O)(=O)[N-]c1c(OC)ccc(Br)c1C(=O)[O-] ZINC000547932622 564522723 /nfs/dbraw/zinc/52/27/23/564522723.db2.gz GWJZWOGWKYUQNG-UHFFFAOYSA-N -2 3 395.275 2.545 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000547936082 564523806 /nfs/dbraw/zinc/52/38/06/564523806.db2.gz VNKUXYDGHLXIOA-QWRGUYRKSA-N -2 3 391.873 2.684 20 0 GFADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)C2CC2)s1 ZINC000517234038 564528130 /nfs/dbraw/zinc/52/81/30/564528130.db2.gz ONPZRZHVAQZPQZ-OAHLLOKOSA-N -2 3 384.454 2.647 20 0 GFADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000548193442 564534919 /nfs/dbraw/zinc/53/49/19/564534919.db2.gz PSSNWKRPLZHNLG-CABZTGNLSA-N -2 3 375.830 2.512 20 0 GFADHL O=C([O-])[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548223247 564538917 /nfs/dbraw/zinc/53/89/17/564538917.db2.gz MNKJECWEPJFEDT-SNVBAGLBSA-N -2 3 391.829 2.545 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000548264893 564545491 /nfs/dbraw/zinc/54/54/91/564545491.db2.gz QYNOJNAFXFCPAA-WDEREUQCSA-N -2 3 391.873 2.684 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000548264892 564545643 /nfs/dbraw/zinc/54/56/43/564545643.db2.gz QYNOJNAFXFCPAA-QWRGUYRKSA-N -2 3 391.873 2.684 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548544362 564558145 /nfs/dbraw/zinc/55/81/45/564558145.db2.gz RLUDNFUDDGZPCW-ZDUSSCGKSA-N -2 3 375.780 2.592 20 0 GFADHL CCN(CC1CC1)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000548591666 564564361 /nfs/dbraw/zinc/56/43/61/564564361.db2.gz COIWJUPFFHUGIH-UHFFFAOYSA-N -2 3 382.360 2.672 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000548587778 564564503 /nfs/dbraw/zinc/56/45/03/564564503.db2.gz AGIDFEDPRRHXGH-CYBMUJFWSA-N -2 3 381.878 2.910 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000571755742 564565301 /nfs/dbraw/zinc/56/53/01/564565301.db2.gz NCUIDTPNTNJATH-PELKAZGASA-N -2 3 382.251 2.612 20 0 GFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000548768398 564573942 /nfs/dbraw/zinc/57/39/42/564573942.db2.gz RIHGRFIIHGPUIL-SNVBAGLBSA-N -2 3 387.351 2.892 20 0 GFADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-])C1CC1 ZINC000548867583 564578569 /nfs/dbraw/zinc/57/85/69/564578569.db2.gz PTPWCVFAVFAASW-JVXZTZIISA-N -2 3 396.690 2.880 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000484522948 564590385 /nfs/dbraw/zinc/59/03/85/564590385.db2.gz CGJHWVFJUQSYMD-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000519825099 564592063 /nfs/dbraw/zinc/59/20/63/564592063.db2.gz PVZJICHWLZWWNB-UHFFFAOYSA-N -2 3 387.504 2.964 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CCc2ccc(Br)s2)cc1C(=O)[O-] ZINC000572517381 564598346 /nfs/dbraw/zinc/59/83/46/564598346.db2.gz PCFWHJGVBGMJAM-UHFFFAOYSA-N -2 3 394.268 2.631 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c(F)c1 ZINC000485353466 564612572 /nfs/dbraw/zinc/61/25/72/564612572.db2.gz WSSDFBKFNYPWDH-UHFFFAOYSA-N -2 3 381.278 2.559 20 0 GFADHL C[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]1C(=O)[O-] ZINC000521610790 564631635 /nfs/dbraw/zinc/63/16/35/564631635.db2.gz SMCASMDWYHNVDQ-BJOHPYRUSA-N -2 3 393.237 2.616 20 0 GFADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2ccc(Br)s2)(C(=O)[O-])C1 ZINC000551996141 564671330 /nfs/dbraw/zinc/67/13/30/564671330.db2.gz PEHZUAGIXZKUJA-LBPRGKRZSA-N -2 3 382.301 2.822 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000574499895 564676634 /nfs/dbraw/zinc/67/66/34/564676634.db2.gz OWRKJHVSDKZXOL-QWHCGFSZSA-N -2 3 391.287 2.546 20 0 GFADHL CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)CCO1 ZINC000577175366 564727865 /nfs/dbraw/zinc/72/78/65/564727865.db2.gz UWIOVCFBSDHUAT-NEPJUHHUSA-N -2 3 391.511 2.717 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000527302081 564738301 /nfs/dbraw/zinc/73/83/01/564738301.db2.gz BVFMGNXILSQJAR-RYUDHWBXSA-N -2 3 393.889 2.675 20 0 GFADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000581660640 564812869 /nfs/dbraw/zinc/81/28/69/564812869.db2.gz JGBDQTUOLZNYDK-UWVGGRQHSA-N -2 3 383.388 2.985 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCc1sccc1C ZINC000582060674 564829678 /nfs/dbraw/zinc/82/96/78/564829678.db2.gz WKDPRLMBJSPRQP-UHFFFAOYSA-N -2 3 389.882 2.938 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)c1nc(C)cs1 ZINC000582238961 564837216 /nfs/dbraw/zinc/83/72/16/564837216.db2.gz DNSQEQNMDZCTSK-MRVPVSSYSA-N -2 3 376.481 2.649 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1(c2ccccc2C)CC1 ZINC000582418208 564845861 /nfs/dbraw/zinc/84/58/61/564845861.db2.gz LRWICAGXKSNHRS-UHFFFAOYSA-N -2 3 381.475 2.773 20 0 GFADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c3ccccc3Cl)cn21 ZINC000530141608 564866630 /nfs/dbraw/zinc/86/66/30/564866630.db2.gz HFLWRTMKSGNKAI-BONVTDFDSA-N -2 3 383.857 2.538 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000530339812 564876705 /nfs/dbraw/zinc/87/67/05/564876705.db2.gz VSZQOQOBFKDRKJ-GFCCVEGCSA-N -2 3 395.487 2.679 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C3CC3)s2)cs1 ZINC000558683605 564910882 /nfs/dbraw/zinc/91/08/82/564910882.db2.gz SWZYGZFRGFPLLX-RMLUDKJBSA-N -2 3 386.520 2.958 20 0 GFADHL O=C([O-])[C@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000559151735 564925082 /nfs/dbraw/zinc/92/50/82/564925082.db2.gz DQQXDZGVAFEZDD-DZGCQCFKSA-N -2 3 393.864 2.542 20 0 GFADHL O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000559152522 564925199 /nfs/dbraw/zinc/92/51/99/564925199.db2.gz NZUCUWLMBCOEGN-HIFRSBDPSA-N -2 3 393.864 2.542 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(Br)c1 ZINC000467760581 564970818 /nfs/dbraw/zinc/97/08/18/564970818.db2.gz ZERLHFYYPXDROO-UHFFFAOYSA-N -2 3 390.211 2.858 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000562353490 565026083 /nfs/dbraw/zinc/02/60/83/565026083.db2.gz PBHTUWMRRQLNNM-MRVPVSSYSA-N -2 3 387.351 2.892 20 0 GFADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000562967191 565050102 /nfs/dbraw/zinc/05/01/02/565050102.db2.gz BFJOUFQKDQSLSF-ZWNOBZJWSA-N -2 3 391.287 2.546 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)COc1cccc(C)c1 ZINC000584348857 565076745 /nfs/dbraw/zinc/07/67/45/565076745.db2.gz PDVZTGBGJDKVHU-LLVKDONJSA-N -2 3 385.463 2.509 20 0 GFADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-] ZINC000614325714 565106852 /nfs/dbraw/zinc/10/68/52/565106852.db2.gz GMESAKCMCHIHOR-GXFFZTMASA-N -2 3 389.857 2.820 20 0 GFADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc([O-])cc(Br)c1 ZINC000636324079 565107261 /nfs/dbraw/zinc/10/72/61/565107261.db2.gz UQIDBCJMGAZIKY-UHFFFAOYSA-N -2 3 378.226 2.848 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c[n-]1 ZINC000585730265 565108016 /nfs/dbraw/zinc/10/80/16/565108016.db2.gz GULWRLMWJXWHLY-UHFFFAOYSA-N -2 3 377.344 2.714 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)[n-]1 ZINC000585730265 565108025 /nfs/dbraw/zinc/10/80/25/565108025.db2.gz GULWRLMWJXWHLY-UHFFFAOYSA-N -2 3 377.344 2.714 20 0 GFADHL CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000592138941 565260929 /nfs/dbraw/zinc/26/09/29/565260929.db2.gz GTBKRCRQAHBQAB-MWLCHTKSSA-N -2 3 379.525 2.798 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c[n-]1 ZINC000618907069 565321303 /nfs/dbraw/zinc/32/13/03/565321303.db2.gz MOUVKMLJVCUISY-UHFFFAOYSA-N -2 3 377.344 2.547 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c[n-]1 ZINC000618907046 565321771 /nfs/dbraw/zinc/32/17/71/565321771.db2.gz JGNZOTVWJXVRAT-UHFFFAOYSA-N -2 3 378.237 2.835 20 0 GFADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000663293275 565408124 /nfs/dbraw/zinc/40/81/24/565408124.db2.gz CUEKTHCGYVBUGK-ZETCQYMHSA-N -2 3 377.743 2.801 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCCc1ccc(C)cc1C ZINC000645945539 565577125 /nfs/dbraw/zinc/57/71/25/565577125.db2.gz FYVWHMKUUOIMCE-UHFFFAOYSA-N -2 3 383.491 2.983 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H](C)Sc1ccccc1 ZINC000645983070 565580432 /nfs/dbraw/zinc/58/04/32/565580432.db2.gz PXGKFTSAOAVRSJ-SNVBAGLBSA-N -2 3 387.504 2.914 20 0 GFADHL O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000646040780 565583972 /nfs/dbraw/zinc/58/39/72/565583972.db2.gz OYIKGDCZQWUXNY-CMPLNLGQSA-N -2 3 386.882 2.995 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1)C(C)C ZINC000647132593 565640729 /nfs/dbraw/zinc/64/07/29/565640729.db2.gz GDOFIQWLUJDNPP-ZDUSSCGKSA-N -2 3 394.287 2.868 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000650427015 565819945 /nfs/dbraw/zinc/81/99/45/565819945.db2.gz ZNTNSWKZHFPFCF-ZETCQYMHSA-N -2 3 382.663 2.634 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000656181383 566111975 /nfs/dbraw/zinc/11/19/75/566111975.db2.gz RVUJJPCIHQTHCV-XYPYZODXSA-N -2 3 391.873 2.671 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000681568008 566113563 /nfs/dbraw/zinc/11/35/63/566113563.db2.gz QHECDXJBDYWJSY-AWEZNQCLSA-N -2 3 391.779 2.731 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000681577377 566114342 /nfs/dbraw/zinc/11/43/42/566114342.db2.gz SLSRYTWWGCUERJ-CYBMUJFWSA-N -2 3 383.853 2.570 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C ZINC000656509209 566128772 /nfs/dbraw/zinc/12/87/72/566128772.db2.gz OJOHDETWFRYFLN-ZDUSSCGKSA-N -2 3 394.287 2.625 20 0 GFADHL Cc1oc(C)c(S(=O)(=O)[N-]CC(F)(F)c2cccc(F)c2)c1C(=O)[O-] ZINC000656718025 566156964 /nfs/dbraw/zinc/15/69/64/566156964.db2.gz PEQAYQINTZLENH-UHFFFAOYSA-N -2 3 377.340 2.804 20 0 GFADHL O=S(=O)([N-]c1ccnn1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738338229 598844120 /nfs/dbraw/zinc/84/41/20/598844120.db2.gz DTJPCEQGSXJLSD-UHFFFAOYSA-N -2 3 391.432 2.508 20 0 GFADHL O=S(=O)([N-]c1ccnn1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738338229 598844121 /nfs/dbraw/zinc/84/41/21/598844121.db2.gz DTJPCEQGSXJLSD-UHFFFAOYSA-N -2 3 391.432 2.508 20 0 GFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1Cl ZINC000822201201 599234440 /nfs/dbraw/zinc/23/44/40/599234440.db2.gz VZOXWKFYDXRXRD-UHFFFAOYSA-N -2 3 399.263 2.986 20 0 GFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1Cl ZINC000822201201 599234442 /nfs/dbraw/zinc/23/44/42/599234442.db2.gz VZOXWKFYDXRXRD-UHFFFAOYSA-N -2 3 399.263 2.986 20 0 GFADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1O ZINC000822153642 599304288 /nfs/dbraw/zinc/30/42/88/599304288.db2.gz OCHJSTXYKNELDO-UHFFFAOYSA-N -2 3 379.829 2.643 20 0 GFADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1O ZINC000822153642 599304290 /nfs/dbraw/zinc/30/42/90/599304290.db2.gz OCHJSTXYKNELDO-UHFFFAOYSA-N -2 3 379.829 2.643 20 0 GFADHL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000735913355 598451511 /nfs/dbraw/zinc/45/15/11/598451511.db2.gz BMCQWWDAVDSYBT-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000735913355 598451513 /nfs/dbraw/zinc/45/15/13/598451513.db2.gz BMCQWWDAVDSYBT-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000736229050 598481380 /nfs/dbraw/zinc/48/13/80/598481380.db2.gz PVLRQLOQGBDLQT-QWHCGFSZSA-N -2 3 391.497 2.524 20 0 GFADHL C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000736229050 598481382 /nfs/dbraw/zinc/48/13/82/598481382.db2.gz PVLRQLOQGBDLQT-QWHCGFSZSA-N -2 3 391.497 2.524 20 0 GFADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Br)ccc1[O-] ZINC000738167737 598592485 /nfs/dbraw/zinc/59/24/85/598592485.db2.gz SQHCSCWJMMHGPA-UHFFFAOYSA-N -2 3 378.161 2.726 20 0 GFADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821049223 599624779 /nfs/dbraw/zinc/62/47/79/599624779.db2.gz JBLYQBXPWGFERC-CYBMUJFWSA-N -2 3 379.486 2.587 20 0 GFADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821049223 599624780 /nfs/dbraw/zinc/62/47/80/599624780.db2.gz JBLYQBXPWGFERC-CYBMUJFWSA-N -2 3 379.486 2.587 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Br)c2)o1 ZINC000740174140 599778615 /nfs/dbraw/zinc/77/86/15/599778615.db2.gz UFBFAAZXPTXXCM-WDEREUQCSA-N -2 3 386.223 2.575 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cc(F)ccc1F ZINC000739505522 599814766 /nfs/dbraw/zinc/81/47/66/599814766.db2.gz QZNHQDBBBVJNIY-LLVKDONJSA-N -2 3 397.186 2.771 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1 ZINC000738563308 599895527 /nfs/dbraw/zinc/89/55/27/599895527.db2.gz WGDOXLNXRMYCNS-ZDUSSCGKSA-N -2 3 377.315 2.737 20 0 GFADHL CCCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000531997248 600023145 /nfs/dbraw/zinc/02/31/45/600023145.db2.gz NMIVURFCSUPWEE-UHFFFAOYSA-N -2 3 394.424 2.563 20 0 GFADHL COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1F ZINC000737642284 600100911 /nfs/dbraw/zinc/10/09/11/600100911.db2.gz RUCLAYFHFMPBKE-UHFFFAOYSA-N -2 3 382.369 2.811 20 0 GFADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000739686972 600489679 /nfs/dbraw/zinc/48/96/79/600489679.db2.gz IXCHBVAOMQYNOG-UHFFFAOYSA-N -3 3 397.380 2.568 20 0 GFADHL C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000736825344 600502045 /nfs/dbraw/zinc/50/20/45/600502045.db2.gz RWXWJDMYCJJIHW-CYBMUJFWSA-N -2 3 387.411 2.650 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000265699312 600546046 /nfs/dbraw/zinc/54/60/46/600546046.db2.gz CYKMRADKPZNZGB-INIZCTEOSA-N -2 3 377.418 2.662 20 0 GFADHL O=C([O-])[C@@H](OC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1Cl ZINC000833109736 600657266 /nfs/dbraw/zinc/65/72/66/600657266.db2.gz SCMRBDSKNABGAR-HNNXBMFYSA-N -2 3 398.198 2.798 20 0 GFADHL COCCOc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1OC ZINC000285149236 600888862 /nfs/dbraw/zinc/88/88/62/600888862.db2.gz PCINQRIFZMCJGU-UHFFFAOYSA-N -2 3 395.433 2.528 20 0 GFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1 ZINC000740306219 600890096 /nfs/dbraw/zinc/89/00/96/600890096.db2.gz STJNRVBOSCZXLD-UHFFFAOYSA-N -2 3 398.799 2.863 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)cc1C(=O)[O-] ZINC000833027146 601220926 /nfs/dbraw/zinc/22/09/26/601220926.db2.gz CYEAWPQOMMNUFE-CQSZACIVSA-N -2 3 378.431 2.811 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)ccc1F ZINC000055631637 601323991 /nfs/dbraw/zinc/32/39/91/601323991.db2.gz WVXAWSPLRCDLAI-AWEZNQCLSA-N -2 3 395.408 2.883 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CCc2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000645991980 601801678 /nfs/dbraw/zinc/80/16/78/601801678.db2.gz LYKBHHJCSJTENH-UHFFFAOYSA-N -2 3 393.339 2.706 20 0 GFADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](CCSC)NC(=O)[O-])c2)n1 ZINC000739535782 601859315 /nfs/dbraw/zinc/85/93/15/601859315.db2.gz GLLHHBLAHYMVCW-AWEZNQCLSA-N -2 3 390.465 2.739 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCN(C(=O)[O-])C2)c1Cl ZINC000740134060 601989903 /nfs/dbraw/zinc/98/99/03/601989903.db2.gz VJKFIQLMORLLCK-JTQLQIEISA-N -2 3 381.281 2.970 20 0 GFADHL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)c2C)o1 ZINC000826273487 607538373 /nfs/dbraw/zinc/53/83/73/607538373.db2.gz GMJNSOTYVOCMHD-UHFFFAOYSA-N -2 3 399.436 2.576 20 0 GFADHL O=C([O-])[C@@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cc(Cl)cc(Cl)c1 ZINC000833348491 602086888 /nfs/dbraw/zinc/08/68/88/602086888.db2.gz WUDCRBMCYLPZJR-ZDUSSCGKSA-N -2 3 394.166 2.860 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(F)(F)F)ccc1F ZINC000833302656 602214768 /nfs/dbraw/zinc/21/47/68/602214768.db2.gz WFJAGGAKCIGNPV-CQSZACIVSA-N -2 3 391.342 2.976 20 0 GFADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000740703026 602653511 /nfs/dbraw/zinc/65/35/11/602653511.db2.gz HDZQYHXNRLKGKQ-UHFFFAOYSA-N -2 3 382.369 2.878 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)N(C(=O)[O-])[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000740207759 602883628 /nfs/dbraw/zinc/88/36/28/602883628.db2.gz JNTKBDDVKAPUPE-RYUDHWBXSA-N -2 3 385.424 2.762 20 0 GFADHL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)[N-]n1cnc2ccccc2c1=O ZINC000829193143 603527391 /nfs/dbraw/zinc/52/73/91/603527391.db2.gz YKABHAMFZNCMRY-UHFFFAOYSA-N -2 3 388.767 2.532 20 0 GFADHL CCOC(=O)c1c([N-]C(=O)c2cc(C)no2)sc2c1CCN(C(=O)[O-])C2 ZINC000827337397 604252813 /nfs/dbraw/zinc/25/28/13/604252813.db2.gz CFDBMZGOQLQJLL-UHFFFAOYSA-N -2 3 379.394 2.510 20 0 GFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccnc2Br)c1 ZINC000833297460 604405429 /nfs/dbraw/zinc/40/54/29/604405429.db2.gz OKYAWTZYUHNNME-UHFFFAOYSA-N -2 3 391.630 2.997 20 0 GFADHL COc1cc(OC)cc([C@H](OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)C(=O)[O-])c1 ZINC000832072579 604567986 /nfs/dbraw/zinc/56/79/86/604567986.db2.gz DNHCQEXQLITZOV-KRWDZBQOSA-N -2 3 386.360 2.978 20 0 GFADHL CC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)Cc2ccccc2C1 ZINC000833565895 604703663 /nfs/dbraw/zinc/70/36/63/604703663.db2.gz JOHKEZPHHHGWAZ-UHFFFAOYSA-N -2 3 381.400 2.746 20 0 GFADHL C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000749146490 605164166 /nfs/dbraw/zinc/16/41/66/605164166.db2.gz XPFCTVLPHSSFEW-LBPRGKRZSA-N -2 3 394.424 2.550 20 0 GFADHL CC(C)(CC(=O)[O-])CC(=O)Nc1cc(I)ccc1[O-] ZINC000833455648 605706931 /nfs/dbraw/zinc/70/69/31/605706931.db2.gz MODWZCCIOHTNJU-UHFFFAOYSA-N -2 3 377.178 2.826 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1csc2ccc(Cl)cc21 ZINC000823583700 606203189 /nfs/dbraw/zinc/20/31/89/606203189.db2.gz YMDJDRDEWVYXRJ-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1csc2ccc(Cl)cc21 ZINC000823583700 606203191 /nfs/dbraw/zinc/20/31/91/606203191.db2.gz YMDJDRDEWVYXRJ-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccccc1-c1nnn[n-]1 ZINC000823589181 606205208 /nfs/dbraw/zinc/20/52/08/606205208.db2.gz RJQDSIBHYWGHQC-UHFFFAOYSA-N -2 3 382.405 2.686 20 0 GFADHL O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccccc1-c1nn[n-]n1 ZINC000823589181 606205211 /nfs/dbraw/zinc/20/52/11/606205211.db2.gz RJQDSIBHYWGHQC-UHFFFAOYSA-N -2 3 382.405 2.686 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccccc2)cc1 ZINC000823583599 606207741 /nfs/dbraw/zinc/20/77/41/606207741.db2.gz VULPOVSBIAGEPT-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823583375 606780184 /nfs/dbraw/zinc/78/01/84/606780184.db2.gz PXQHJTNJSNZRHP-UHFFFAOYSA-N -2 3 391.432 2.577 20 0 GFADHL O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823583375 606780185 /nfs/dbraw/zinc/78/01/85/606780185.db2.gz PXQHJTNJSNZRHP-UHFFFAOYSA-N -2 3 391.432 2.577 20 0 GFADHL CC(C)c1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c1 ZINC000820197870 606819628 /nfs/dbraw/zinc/81/96/28/606819628.db2.gz OIJVDVDTEMXQBJ-UHFFFAOYSA-N -2 3 386.481 2.857 20 0 GFADHL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826273421 607982863 /nfs/dbraw/zinc/98/28/63/607982863.db2.gz CTACVTYOCFPBRZ-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL CC(C)(C)C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000821246630 660319193 /nfs/dbraw/zinc/31/91/93/660319193.db2.gz DLLJBKSBFJHPCA-CMPLNLGQSA-N -2 3 384.281 2.522 20 0 GFADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000047906749 654701945 /nfs/dbraw/zinc/70/19/45/654701945.db2.gz QDWCYNPJFARTKH-UHFFFAOYSA-N -2 3 391.232 2.840 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c(Cl)c1Cl ZINC000275225065 655223726 /nfs/dbraw/zinc/22/37/26/655223726.db2.gz IUTQWNAFGPMRDR-RXMQYKEDSA-N -2 3 396.170 2.686 20 0 GFADHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)o1 ZINC000191170715 655397152 /nfs/dbraw/zinc/39/71/52/655397152.db2.gz JWUMCIGSJQSQIP-UHFFFAOYSA-N -2 3 393.646 2.627 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cnc(C)s2)cc1F ZINC000762475773 656043571 /nfs/dbraw/zinc/04/35/71/656043571.db2.gz LADBUOJBOVXZDV-UHFFFAOYSA-N -2 3 393.487 2.543 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)s1 ZINC000776500841 656748138 /nfs/dbraw/zinc/74/81/38/656748138.db2.gz RHAIPXXVNOVDQS-LLVKDONJSA-N -2 3 380.369 2.575 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])c(C)c1Cl ZINC000788442569 657718017 /nfs/dbraw/zinc/71/80/17/657718017.db2.gz PDYUBTNGXWLBKD-QMMMGPOBSA-N -2 3 397.902 2.664 20 0 GFADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000793393071 658392648 /nfs/dbraw/zinc/39/26/48/658392648.db2.gz ACUDONQBHXFSMR-DEOSSOPVSA-N -2 3 385.438 2.512 20 0 GFADHL C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000798357240 659097107 /nfs/dbraw/zinc/09/71/07/659097107.db2.gz GXTMROCNOPATCG-SFYZADRCSA-N -2 3 382.301 2.923 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846770471 661565295 /nfs/dbraw/zinc/56/52/95/661565295.db2.gz BXJNRUVVPJDJIV-UJNFCWOMSA-N -2 3 381.281 2.802 20 0 GFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000871979601 662748596 /nfs/dbraw/zinc/74/85/96/662748596.db2.gz QVYVCMMCDWZVAW-KCJUWKMLSA-N -2 3 387.401 2.533 20 0 GFADHL CCOCc1nc(C)cc(=N[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)[n-]1 ZINC000901739175 663744244 /nfs/dbraw/zinc/74/42/44/663744244.db2.gz JRIIOAQMUVWQJW-UHFFFAOYSA-N -2 3 392.815 2.559 20 0 GFADHL CC(F)(F)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000389665283 677408405 /nfs/dbraw/zinc/40/84/05/677408405.db2.gz NFVUMTQSYVVCAK-UHFFFAOYSA-N -2 3 392.243 2.923 20 0 GFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000400469603 563534454 /nfs/dbraw/zinc/53/44/54/563534454.db2.gz PTOGNLAIVFSKPC-MWLCHTKSSA-N -2 3 394.287 2.625 20 0 GFADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000130306572 551363220 /nfs/dbraw/zinc/36/32/20/551363220.db2.gz AZPOWSVTRCSNKZ-UHFFFAOYSA-N -2 3 390.177 2.768 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1cccs1 ZINC000161827127 551599044 /nfs/dbraw/zinc/59/90/44/551599044.db2.gz MZKBXDUQLNVGEE-LLVKDONJSA-N -2 3 394.243 2.754 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCCC1 ZINC000165351162 551628869 /nfs/dbraw/zinc/62/88/69/551628869.db2.gz DMPAOCHNWYUBEK-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542840969 564328486 /nfs/dbraw/zinc/32/84/86/564328486.db2.gz QSEKCTBNJQSCHI-JTQLQIEISA-N -2 3 382.251 2.756 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000312344166 563437042 /nfs/dbraw/zinc/43/70/42/563437042.db2.gz GYOOJPNWHNPWTJ-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)CCCCC1 ZINC000427220569 563462490 /nfs/dbraw/zinc/46/24/90/563462490.db2.gz VMPYOXSHHXFIEQ-UHFFFAOYSA-N -2 3 389.857 2.903 20 0 GFADHL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433530401 563614987 /nfs/dbraw/zinc/61/49/87/563614987.db2.gz YVHYFEHMHBRSEK-UHFFFAOYSA-N -3 3 384.797 2.503 20 0 GFADHL O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000436626232 563675034 /nfs/dbraw/zinc/67/50/34/563675034.db2.gz QPIDTZXXFHRVRP-UHFFFAOYSA-N -2 3 399.554 2.875 20 0 GFADHL O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(Br)cc(Cl)c1[O-] ZINC000436626232 563675036 /nfs/dbraw/zinc/67/50/36/563675036.db2.gz QPIDTZXXFHRVRP-UHFFFAOYSA-N -2 3 399.554 2.875 20 0 GFADHL O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Br)cc(Cl)c1[O-] ZINC000436626232 563675039 /nfs/dbraw/zinc/67/50/39/563675039.db2.gz QPIDTZXXFHRVRP-UHFFFAOYSA-N -2 3 399.554 2.875 20 0 GFADHL C[C@@H](CF)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436839177 563681030 /nfs/dbraw/zinc/68/10/30/563681030.db2.gz MVIRHGMFDFBPIE-JTQLQIEISA-N -2 3 386.832 2.934 20 0 GFADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)o1 ZINC000291945372 563766357 /nfs/dbraw/zinc/76/63/57/563766357.db2.gz PWVRFQPBHGBRKL-UHFFFAOYSA-N -2 3 390.820 2.905 20 0 GFADHL COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000446621831 563866655 /nfs/dbraw/zinc/86/66/55/563866655.db2.gz XYYYCJYRTIOXLN-UHFFFAOYSA-N -2 3 382.463 2.882 20 0 GFADHL CC[C@H](C)C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000563199778 564179255 /nfs/dbraw/zinc/17/92/55/564179255.db2.gz GQBHELHMARLCJV-LKFCYVNXSA-N -2 3 395.253 2.910 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)CC)c(F)c1 ZINC000451107689 564275808 /nfs/dbraw/zinc/27/58/08/564275808.db2.gz JEEHGQKFBPAYDD-NWDGAFQWSA-N -2 3 380.507 2.690 20 0 GFADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])c1ccc(C)o1 ZINC000451268916 564292823 /nfs/dbraw/zinc/29/28/23/564292823.db2.gz NTKBLNPIGKXDCA-LLVKDONJSA-N -2 3 379.356 2.978 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c(F)c1 ZINC000509610571 564306270 /nfs/dbraw/zinc/30/62/70/564306270.db2.gz KRGFCFLXOMWALE-UHFFFAOYSA-N -2 3 394.396 2.936 20 0 GFADHL CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476932820 564359525 /nfs/dbraw/zinc/35/95/25/564359525.db2.gz LSQOSGGGDSMILP-WFASDCNBSA-N -2 3 392.518 2.834 20 0 GFADHL CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1 ZINC000567585076 564378844 /nfs/dbraw/zinc/37/88/44/564378844.db2.gz MZKPEEMKQXPPMA-VHSXEESVSA-N -2 3 379.525 2.798 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1F ZINC000568471105 564420341 /nfs/dbraw/zinc/42/03/41/564420341.db2.gz ASSXSRAEUKWKHZ-ZDUSSCGKSA-N -2 3 387.816 2.982 20 0 GFADHL Cc1sc(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000547579855 564497595 /nfs/dbraw/zinc/49/75/95/564497595.db2.gz XKFFOSMDWUYWMC-MNOVXSKESA-N -2 3 376.456 2.667 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)cc1C ZINC000570394011 564503736 /nfs/dbraw/zinc/50/37/36/564503736.db2.gz ZZAXDQUIVCKBAR-GFCCVEGCSA-N -2 3 383.491 2.981 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000547869469 564514579 /nfs/dbraw/zinc/51/45/79/564514579.db2.gz AVKYVEAKXTYHMO-SKDRFNHKSA-N -2 3 375.830 2.512 20 0 GFADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000547884279 564515856 /nfs/dbraw/zinc/51/58/56/564515856.db2.gz DVEGMMNOYHFRDK-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(Cl)c(F)c1 ZINC000547912150 564519663 /nfs/dbraw/zinc/51/96/63/564519663.db2.gz IYGQNWRLOZDVQZ-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000547939404 564524401 /nfs/dbraw/zinc/52/44/01/564524401.db2.gz FCUQCALBLFOYSA-AWEZNQCLSA-N -2 3 389.807 2.901 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](Cc1ccco1)C(=O)[O-] ZINC000548216799 564537436 /nfs/dbraw/zinc/53/74/36/564537436.db2.gz MYRBAKQLKFDAOE-CYBMUJFWSA-N -2 3 383.809 2.962 20 0 GFADHL CC(C)c1nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)cn1C ZINC000571520048 564555517 /nfs/dbraw/zinc/55/55/17/564555517.db2.gz AFZKRGFDYDLWNQ-CYBMUJFWSA-N -2 3 385.873 2.691 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)Cc1ccc(Cl)cc1 ZINC000548528559 564555720 /nfs/dbraw/zinc/55/57/20/564555720.db2.gz GVMRORBZOGOEJD-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(C)c1F ZINC000548548961 564558888 /nfs/dbraw/zinc/55/88/88/564558888.db2.gz LTKBASSSXPNFBW-UHFFFAOYSA-N -2 3 375.324 2.920 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1F ZINC000548570064 564562512 /nfs/dbraw/zinc/56/25/12/564562512.db2.gz PMTKURSIJXVMDG-JTQLQIEISA-N -2 3 392.202 2.676 20 0 GFADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000548581798 564564229 /nfs/dbraw/zinc/56/42/29/564564229.db2.gz PHDVNJJIKWFSRZ-SNVBAGLBSA-N -2 3 389.392 2.719 20 0 GFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000572458895 564595311 /nfs/dbraw/zinc/59/53/11/564595311.db2.gz OLQUTDGXMRNCTM-QMMMGPOBSA-N -2 3 384.679 2.738 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Oc1ccccc1 ZINC000549551590 564597747 /nfs/dbraw/zinc/59/77/47/564597747.db2.gz PAXOPIBUPHTQRZ-ZDUSSCGKSA-N -2 3 390.244 2.804 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)s1 ZINC000572695614 564606493 /nfs/dbraw/zinc/60/64/93/564606493.db2.gz DPFQDMGISXKECB-NSHDSACASA-N -2 3 381.262 2.863 20 0 GFADHL CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000572757311 564608838 /nfs/dbraw/zinc/60/88/38/564608838.db2.gz JFHUMURAPHMWHK-RFAUZJTJSA-N -2 3 387.841 2.994 20 0 GFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000572965682 564616954 /nfs/dbraw/zinc/61/69/54/564616954.db2.gz XRARCPHCWYEHCC-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000551243910 564643676 /nfs/dbraw/zinc/64/36/76/564643676.db2.gz XOYVVMLWUHZIMW-AWEZNQCLSA-N -2 3 393.303 2.792 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cccnc1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000574078114 564667983 /nfs/dbraw/zinc/66/79/83/564667983.db2.gz RBUQTFRGOWXTPY-SSDOTTSWSA-N -2 3 395.384 2.685 20 0 GFADHL O=C([O-])[C@@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000555426800 564793167 /nfs/dbraw/zinc/79/31/67/564793167.db2.gz ZSIYPJMHTNEYIF-WFASDCNBSA-N -2 3 393.864 2.542 20 0 GFADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000582961864 564870078 /nfs/dbraw/zinc/87/00/78/564870078.db2.gz HFSQSVNXFHNHDQ-MRXNPFEDSA-N -2 3 393.889 2.677 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])sc1Br ZINC000530526806 564885274 /nfs/dbraw/zinc/88/52/74/564885274.db2.gz SXHCYFAFDJZKRR-VIFPVBQESA-N -2 3 382.301 2.741 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)cc1Cl ZINC000561853710 565011190 /nfs/dbraw/zinc/01/11/90/565011190.db2.gz AANBIIBENWBXNJ-LURJTMIESA-N -2 3 392.207 2.636 20 0 GFADHL O=C([O-])[C@@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000562844000 565045327 /nfs/dbraw/zinc/04/53/27/565045327.db2.gz ZDTJAWRRAYDXKA-CQSZACIVSA-N -2 3 389.807 2.983 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1c([O-])cccc1F ZINC000685743317 565120995 /nfs/dbraw/zinc/12/09/95/565120995.db2.gz WMVHKNYFNLERTP-UHFFFAOYSA-N -2 3 393.223 2.755 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000659236448 565208017 /nfs/dbraw/zinc/20/80/17/565208017.db2.gz GERYBQUSWVTGFU-WMLDXEAASA-N -2 3 393.237 2.664 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2nn(CC(F)(F)F)cc2Cl)c1 ZINC000641693079 565395818 /nfs/dbraw/zinc/39/58/18/565395818.db2.gz WSGYVXFFLMYWMD-UHFFFAOYSA-N -2 3 385.751 2.614 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)oc1C(=O)[O-] ZINC000663420708 565419278 /nfs/dbraw/zinc/41/92/78/565419278.db2.gz IVIUUVLMDBBBFY-SECBINFHSA-N -2 3 375.349 2.927 20 0 GFADHL CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663423046 565419411 /nfs/dbraw/zinc/41/94/11/565419411.db2.gz KCUJVOSHXRDGFK-BMIGLBTASA-N -2 3 387.841 2.994 20 0 GFADHL CC(C)COc1ccc([C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000645988947 565580376 /nfs/dbraw/zinc/58/03/76/565580376.db2.gz NBFPPQOQXNRHNF-LLVKDONJSA-N -2 3 384.479 2.916 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-])C(C)C ZINC000647130313 565640095 /nfs/dbraw/zinc/64/00/95/565640095.db2.gz QANJTACSBWMAJJ-NSHDSACASA-N -2 3 394.287 2.868 20 0 GFADHL COC1(C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)[O-])CCC1 ZINC000650432711 565821217 /nfs/dbraw/zinc/82/12/17/565821217.db2.gz GDKBSBCEMNMPBX-NSHDSACASA-N -2 3 382.265 2.684 20 0 GFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@@H](C[C@@H]3CCCOC3)C(=O)[O-])sc21 ZINC000629338949 565845829 /nfs/dbraw/zinc/84/58/29/565845829.db2.gz CJQBJRPGDTZRFU-JSGCOSHPSA-N -2 3 383.491 2.758 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c(F)c1 ZINC000651920256 565903726 /nfs/dbraw/zinc/90/37/26/565903726.db2.gz CJKALZOUJOYWFP-UHFFFAOYSA-N -2 3 390.502 2.588 20 0 GFADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-])C1CC1 ZINC000656168212 566108799 /nfs/dbraw/zinc/10/87/99/566108799.db2.gz OQQSXCWHAIYUDF-VXGBXAGGSA-N -2 3 382.265 2.540 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C(F)(F)F ZINC000656517440 566133289 /nfs/dbraw/zinc/13/32/89/566133289.db2.gz NETONTDSAVZCAG-QMMMGPOBSA-N -2 3 377.743 2.552 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C3CC3)s2)cs1 ZINC000656724194 566157926 /nfs/dbraw/zinc/15/79/26/566157926.db2.gz KQJJYFNRHUHXHG-NSHDSACASA-N -2 3 386.520 2.959 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000736648026 598843123 /nfs/dbraw/zinc/84/31/23/598843123.db2.gz WPBCLNVIIOOJMO-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000736648026 598843125 /nfs/dbraw/zinc/84/31/25/598843125.db2.gz WPBCLNVIIOOJMO-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736350879 598973956 /nfs/dbraw/zinc/97/39/56/598973956.db2.gz OKJRFVBSDKHGIF-AWEZNQCLSA-N -2 3 391.497 2.587 20 0 GFADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736350879 598973957 /nfs/dbraw/zinc/97/39/57/598973957.db2.gz OKJRFVBSDKHGIF-AWEZNQCLSA-N -2 3 391.497 2.587 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000822224083 599233890 /nfs/dbraw/zinc/23/38/90/599233890.db2.gz VUMQTWHHDNNYLO-UHFFFAOYSA-N -2 3 378.483 2.730 20 0 GFADHL CC(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735708155 598726894 /nfs/dbraw/zinc/72/68/94/598726894.db2.gz KLWDCWPITBTNQV-QGZVFWFLSA-N -2 3 399.476 2.502 20 0 GFADHL CC(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735708155 598726896 /nfs/dbraw/zinc/72/68/96/598726896.db2.gz KLWDCWPITBTNQV-QGZVFWFLSA-N -2 3 399.476 2.502 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000822154040 599303838 /nfs/dbraw/zinc/30/38/38/599303838.db2.gz UCKKFKDHWJVMLU-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000822154040 599303840 /nfs/dbraw/zinc/30/38/40/599303840.db2.gz UCKKFKDHWJVMLU-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL O=C([O-])[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc2O1 ZINC000739616665 600047836 /nfs/dbraw/zinc/04/78/36/600047836.db2.gz RPXBALAHBODNSG-HNNXBMFYSA-N -2 3 377.356 2.934 20 0 GFADHL O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000740318464 600066260 /nfs/dbraw/zinc/06/62/60/600066260.db2.gz KDZXWDDDSQOAAV-HNNXBMFYSA-N -2 3 381.306 2.942 20 0 GFADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(=O)[O-])cc3)cc(Cl)c2O1 ZINC000736824538 600635570 /nfs/dbraw/zinc/63/55/70/600635570.db2.gz BKOZKPZTJDDNTA-JTQLQIEISA-N -2 3 397.836 2.928 20 0 GFADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2F)c1 ZINC000605496568 600636104 /nfs/dbraw/zinc/63/61/04/600636104.db2.gz YMLOCHIMIMPSMA-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL CC(C)(CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000736311531 600789062 /nfs/dbraw/zinc/78/90/62/600789062.db2.gz WPLSQCJUHDIOIH-UHFFFAOYSA-N -2 3 394.424 2.610 20 0 GFADHL COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1F ZINC000737642280 600892073 /nfs/dbraw/zinc/89/20/73/600892073.db2.gz ROHJNQIDFOJNFS-UHFFFAOYSA-N -2 3 382.369 2.811 20 0 GFADHL COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000466283295 600898905 /nfs/dbraw/zinc/89/89/05/600898905.db2.gz ONGJSRNUENCXNL-UHFFFAOYSA-N -2 3 391.445 2.945 20 0 GFADHL Cc1nc(C)c(CC(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)c(=O)[n-]1 ZINC000832995022 601105081 /nfs/dbraw/zinc/10/50/81/601105081.db2.gz VIUDFUDOWAKXNR-UHFFFAOYSA-N -2 3 399.428 2.907 20 0 GFADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCC1 ZINC000828106937 601401060 /nfs/dbraw/zinc/40/10/60/601401060.db2.gz JHQXVLAXWOLKBH-UHFFFAOYSA-N -2 3 380.235 2.755 20 0 GFADHL COC(=O)c1cc(C)nc2nc(SCc3cc(C(=O)[O-])c(C)o3)[n-]c(=O)c21 ZINC000831248402 601406482 /nfs/dbraw/zinc/40/64/82/601406482.db2.gz LSJCGRJPUGKPSA-UHFFFAOYSA-N -2 3 389.389 2.717 20 0 GFADHL C[C@@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@H]1C(=O)[O-] ZINC000828465421 601517391 /nfs/dbraw/zinc/51/73/91/601517391.db2.gz XUOCIHMEXNOYAU-ZWNOBZJWSA-N -2 3 387.436 2.943 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](NC(=O)[O-])c3ccccc3)cc2)n1 ZINC000740054347 601910336 /nfs/dbraw/zinc/91/03/36/601910336.db2.gz KUUXSAHZJGINKT-QGZVFWFLSA-N -2 3 378.388 2.693 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c1F ZINC000833294363 601996168 /nfs/dbraw/zinc/99/61/68/601996168.db2.gz BINALHLZNSLNSY-JTQLQIEISA-N -2 3 389.763 2.728 20 0 GFADHL CCc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000133086786 602157832 /nfs/dbraw/zinc/15/78/32/602157832.db2.gz FXNCAUBTKGIPLQ-UHFFFAOYSA-N -2 3 388.239 2.781 20 0 GFADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833014724 602217058 /nfs/dbraw/zinc/21/70/58/602217058.db2.gz WDGOYWCQTIVUES-ZDUSSCGKSA-N -2 3 385.873 2.512 20 0 GFADHL COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)ccc1NC(=O)[O-] ZINC000739867490 602673635 /nfs/dbraw/zinc/67/36/35/602673635.db2.gz BQBIKMTYDPQENW-SNVBAGLBSA-N -2 3 378.406 2.909 20 0 GFADHL O=C([O-])NCc1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)cs1 ZINC000740686397 602721219 /nfs/dbraw/zinc/72/12/19/602721219.db2.gz YNONSOPZUVTSRS-UHFFFAOYSA-N -2 3 378.801 2.602 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(Br)o1 ZINC000833303197 604663755 /nfs/dbraw/zinc/66/37/55/604663755.db2.gz LZDRAECWSQDMQF-ZCFIWIBFSA-N -2 3 388.186 2.597 20 0 GFADHL Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccccc3c(=O)n2CCC(=O)[O-])n1 ZINC000832900087 604711212 /nfs/dbraw/zinc/71/12/12/604711212.db2.gz XVEFQWOQWDEAIT-NSHDSACASA-N -2 3 386.433 2.529 20 0 GFADHL CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)[O-] ZINC000539684417 605022611 /nfs/dbraw/zinc/02/26/11/605022611.db2.gz GYGVKQJUWJORGV-MRXNPFEDSA-N -2 3 394.424 2.610 20 0 GFADHL CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833642214 605300638 /nfs/dbraw/zinc/30/06/38/605300638.db2.gz IDFZXJUYIRUECN-DGCLKSJQSA-N -2 3 391.436 2.925 20 0 GFADHL O=C([O-])NC[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000832407187 605415215 /nfs/dbraw/zinc/41/52/15/605415215.db2.gz HCBDAZRAHLCSAS-ZDUSSCGKSA-N -2 3 393.237 2.822 20 0 GFADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C[C@H]3CSCCN3C(=O)[O-])c2)n1 ZINC000829893677 605421257 /nfs/dbraw/zinc/42/12/57/605421257.db2.gz JEWDUMWKOFQMLX-ZDUSSCGKSA-N -2 3 389.433 2.549 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@H](NC(=O)[O-])C[C@H]3C)cc2)cc(=O)[n-]1 ZINC000830684932 605473813 /nfs/dbraw/zinc/47/38/13/605473813.db2.gz CWUOCAWXBXVUQQ-ABAIWWIYSA-N -2 3 385.424 2.810 20 0 GFADHL COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821904777 606339333 /nfs/dbraw/zinc/33/93/33/606339333.db2.gz ZZCXLZUEZXXMCS-UHFFFAOYSA-N -2 3 399.354 2.695 20 0 GFADHL COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821904777 606339335 /nfs/dbraw/zinc/33/93/35/606339335.db2.gz ZZCXLZUEZXXMCS-UHFFFAOYSA-N -2 3 399.354 2.695 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c2ccccc21 ZINC000823583077 606696152 /nfs/dbraw/zinc/69/61/52/606696152.db2.gz GZXCCWVQLDGGJX-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c2ccccc21 ZINC000823583077 606696153 /nfs/dbraw/zinc/69/61/53/606696153.db2.gz GZXCCWVQLDGGJX-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL CC(C)c1cccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000820198293 606707471 /nfs/dbraw/zinc/70/74/71/606707471.db2.gz UTQBORMIWTXPII-UHFFFAOYSA-N -2 3 389.485 2.742 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1Cl ZINC000822328117 606866982 /nfs/dbraw/zinc/86/69/82/606866982.db2.gz LLQGZQMONURDND-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1Cl ZINC000822328117 606866983 /nfs/dbraw/zinc/86/69/83/606866983.db2.gz LLQGZQMONURDND-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL O=S(=O)([N-][C@@H](c1ccccc1)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823567583 606885635 /nfs/dbraw/zinc/88/56/35/606885635.db2.gz SGOXZIXMUUNXHK-HNNXBMFYSA-N -2 3 391.403 2.575 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)c(O)c1 ZINC000826291569 608885066 /nfs/dbraw/zinc/88/50/66/608885066.db2.gz LYIGYJVLRLYDGM-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c(O)c1 ZINC000826291569 608885071 /nfs/dbraw/zinc/88/50/71/608885071.db2.gz LYIGYJVLRLYDGM-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000824086555 609330296 /nfs/dbraw/zinc/33/02/96/609330296.db2.gz NGWQKPDIPMRZLY-NSHDSACASA-N -2 3 395.382 2.651 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000826210462 609527966 /nfs/dbraw/zinc/52/79/66/609527966.db2.gz SMUNMIRODKXCQZ-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000824249171 609529974 /nfs/dbraw/zinc/52/99/74/609529974.db2.gz JJHHOPUWGMJFIF-UHFFFAOYSA-N -2 3 395.876 2.564 20 0 GFADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824249171 609529975 /nfs/dbraw/zinc/52/99/75/609529975.db2.gz JJHHOPUWGMJFIF-UHFFFAOYSA-N -2 3 395.876 2.564 20 0 GFADHL CC(C)(C)C[C@@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000821250798 660319439 /nfs/dbraw/zinc/31/94/39/660319439.db2.gz SPFXUYXHASJEFX-MNOVXSKESA-N -2 3 384.281 2.522 20 0 GFADHL O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)[N-]OCc1ccccc1 ZINC000826420777 660454195 /nfs/dbraw/zinc/45/41/95/660454195.db2.gz BMROTFYLVBXTLK-UHFFFAOYSA-N -2 3 375.841 2.860 20 0 GFADHL O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)[N-]OCc1ccccc1 ZINC000826420777 660454197 /nfs/dbraw/zinc/45/41/97/660454197.db2.gz BMROTFYLVBXTLK-UHFFFAOYSA-N -2 3 375.841 2.860 20 0 GFADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826451865 660454684 /nfs/dbraw/zinc/45/46/84/660454684.db2.gz ZKSMUJIUUQAUMU-UHFFFAOYSA-N -2 3 383.593 2.569 20 0 GFADHL CCNC(=S)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000016220349 654516356 /nfs/dbraw/zinc/51/63/56/654516356.db2.gz ONFWWAXVDUCUOU-UHFFFAOYSA-N -2 3 381.479 2.508 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000036833109 654613999 /nfs/dbraw/zinc/61/39/99/654613999.db2.gz BCUILLNDHMVVRR-UHFFFAOYSA-N -2 3 394.396 2.878 20 0 GFADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837285957 660981930 /nfs/dbraw/zinc/98/19/30/660981930.db2.gz BBLKYYUSELRLJM-UHFFFAOYSA-N -2 3 399.694 2.811 20 0 GFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000837294174 660983878 /nfs/dbraw/zinc/98/38/78/660983878.db2.gz YZBBOWNRFXAMIR-QMMMGPOBSA-N -2 3 398.264 2.702 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccc(Cl)cc2F)c(C)c1F ZINC000181152970 655332956 /nfs/dbraw/zinc/33/29/56/655332956.db2.gz KQWIWXQLSTZSQE-UHFFFAOYSA-N -2 3 390.795 2.559 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000576919626 655454695 /nfs/dbraw/zinc/45/46/95/655454695.db2.gz JTNWCTSXJIBMIW-LLVKDONJSA-N -2 3 398.428 2.531 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000754861870 655875533 /nfs/dbraw/zinc/87/55/33/655875533.db2.gz ITMDYAYCZIYLHR-SECBINFHSA-N -2 3 382.663 2.634 20 0 GFADHL CC(F)(F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000840892037 661200305 /nfs/dbraw/zinc/20/03/05/661200305.db2.gz UDUOGPKHZMNKMG-UHFFFAOYSA-N -2 3 390.177 2.610 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000776563048 656758492 /nfs/dbraw/zinc/75/84/92/656758492.db2.gz FUAHRZRCZIQHPI-NSHDSACASA-N -2 3 399.321 2.819 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1c(F)cccc1F ZINC000776589606 656763703 /nfs/dbraw/zinc/76/37/03/656763703.db2.gz YZQSOSQNLCQBNL-NSHDSACASA-N -2 3 397.186 2.771 20 0 GFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000776618435 656768959 /nfs/dbraw/zinc/76/89/59/656768959.db2.gz XYJKMYCYHAJWGG-GZMMTYOYSA-N -2 3 382.251 2.756 20 0 GFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000776617824 656769112 /nfs/dbraw/zinc/76/91/12/656769112.db2.gz VCUUYIKJBXJCHJ-XVKPBYJWSA-N -2 3 384.317 2.987 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)CC(=O)[O-] ZINC000776626739 656771161 /nfs/dbraw/zinc/77/11/61/656771161.db2.gz CZIVPEZIGULQLJ-QMMMGPOBSA-N -2 3 398.264 2.559 20 0 GFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788443555 657719444 /nfs/dbraw/zinc/71/94/44/657719444.db2.gz YGJUAPRMUOAWHG-CBAPKCEASA-N -2 3 397.902 2.664 20 0 GFADHL Cc1nc(C=Cc2c(Cl)n(C)nc2C(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000794711895 658601232 /nfs/dbraw/zinc/60/12/32/658601232.db2.gz GIFNMYDRGYLPSU-ONEGZZNKSA-N -2 3 376.722 2.694 20 0 GFADHL C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809250397 659919995 /nfs/dbraw/zinc/91/99/95/659919995.db2.gz JEKVSDRPCROYGJ-RVBZMBCESA-N -2 3 378.778 2.963 20 0 GFADHL C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000871917698 662741563 /nfs/dbraw/zinc/74/15/63/662741563.db2.gz NLOFJZDTUIFDDE-BDAKNGLRSA-N -2 3 382.265 2.785 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CCO2 ZINC000906001566 663907363 /nfs/dbraw/zinc/90/73/63/663907363.db2.gz JRMROLIMAGHZIT-UQACVICXSA-N -2 3 394.276 2.684 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000172897316 551689920 /nfs/dbraw/zinc/68/99/20/551689920.db2.gz FWMKWJZRLZHUDF-UHFFFAOYSA-N -2 3 394.396 2.585 20 0 GFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000262415197 553170440 /nfs/dbraw/zinc/17/04/40/553170440.db2.gz MATUBZDIDQENQJ-SNVBAGLBSA-N -2 3 398.250 2.519 20 0 GFADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000421156740 563298031 /nfs/dbraw/zinc/29/80/31/563298031.db2.gz PQUWXFQBLUQGBD-ZDUSSCGKSA-N -2 3 394.287 2.950 20 0 GFADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000421156739 563298355 /nfs/dbraw/zinc/29/83/55/563298355.db2.gz PQUWXFQBLUQGBD-CYBMUJFWSA-N -2 3 394.287 2.950 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)[C@@H]1CCOC2(CCC2)C1 ZINC000372262458 563300705 /nfs/dbraw/zinc/30/07/05/563300705.db2.gz QWZXILXJVYFAAZ-YGRLFVJLSA-N -2 3 391.848 2.560 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc3c(s2)CCC3(C)C)ccc1[O-] ZINC000421253690 563303871 /nfs/dbraw/zinc/30/38/71/563303871.db2.gz BLNNIDANPDPLII-UHFFFAOYSA-N -2 3 382.463 2.660 20 0 GFADHL C[C@H](CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000282071762 563396183 /nfs/dbraw/zinc/39/61/83/563396183.db2.gz VLLXFQHEZBCDPH-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000309683256 563435187 /nfs/dbraw/zinc/43/51/87/563435187.db2.gz BDZZYFMSBPFKFA-IUCAKERBSA-N -2 3 382.301 2.822 20 0 GFADHL COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000315584470 563440979 /nfs/dbraw/zinc/44/09/79/563440979.db2.gz LLVHXMWXUVXGNY-UHFFFAOYSA-N -2 3 386.223 2.957 20 0 GFADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1Cl ZINC000427336240 563465534 /nfs/dbraw/zinc/46/55/34/563465534.db2.gz IBXNNCNYCVDWJI-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL COc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])cc2s1 ZINC000430979945 563550833 /nfs/dbraw/zinc/55/08/33/563550833.db2.gz QLGLFQGPFQLWKX-UHFFFAOYSA-N -3 3 380.403 2.510 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000436892827 563684048 /nfs/dbraw/zinc/68/40/48/563684048.db2.gz LEFHYOXWBNSRAT-UHFFFAOYSA-N -3 3 377.296 2.790 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)s1 ZINC000539408794 564219466 /nfs/dbraw/zinc/21/94/66/564219466.db2.gz YBHBPZNSVWPWRR-CXAGYDPISA-N -2 3 380.491 2.853 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000564854222 564252231 /nfs/dbraw/zinc/25/22/31/564252231.db2.gz KHELTMYLKJRZQQ-HZMBPMFUSA-N -2 3 387.841 2.553 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](CC)C(C)C)c(F)c1 ZINC000451111701 564276878 /nfs/dbraw/zinc/27/68/78/564276878.db2.gz UBADKZNMZNOESO-CQSZACIVSA-N -2 3 380.507 2.690 20 0 GFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CCCSCC(C)C ZINC000565419333 564280221 /nfs/dbraw/zinc/28/02/21/564280221.db2.gz NRXTWGTXVAPYCS-UHFFFAOYSA-N -2 3 379.475 2.590 20 0 GFADHL CC(C)(C)OCc1cccc(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC000566735960 564341100 /nfs/dbraw/zinc/34/11/00/564341100.db2.gz RJULTGMDPOMDGC-UHFFFAOYSA-N -2 3 384.479 2.635 20 0 GFADHL O=S(=O)([N-]CCNCc1c(F)ccc([O-])c1F)c1ccc(F)cc1Cl ZINC000513549258 564431906 /nfs/dbraw/zinc/43/19/06/564431906.db2.gz QFGKFFSSZXVVBN-UHFFFAOYSA-N -2 3 394.802 2.531 20 0 GFADHL Cc1csc(C2([N-]S(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)CCCC2)n1 ZINC000568877637 564439163 /nfs/dbraw/zinc/43/91/63/564439163.db2.gz PVMIRYZEWJJHDT-UHFFFAOYSA-N -2 3 381.479 2.601 20 0 GFADHL O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(I)c([O-])c1 ZINC000546198345 564448408 /nfs/dbraw/zinc/44/84/08/564448408.db2.gz VDDQWQQHBWMSIC-UHFFFAOYSA-N -2 3 396.144 2.627 20 0 GFADHL O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(I)c([O-])c1 ZINC000546198345 564448409 /nfs/dbraw/zinc/44/84/09/564448409.db2.gz VDDQWQQHBWMSIC-UHFFFAOYSA-N -2 3 396.144 2.627 20 0 GFADHL O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(I)c([O-])c1 ZINC000546198345 564448412 /nfs/dbraw/zinc/44/84/12/564448412.db2.gz VDDQWQQHBWMSIC-UHFFFAOYSA-N -2 3 396.144 2.627 20 0 GFADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000546253614 564452006 /nfs/dbraw/zinc/45/20/06/564452006.db2.gz DRXQATFJEQKOFW-CQSZACIVSA-N -2 3 387.841 2.860 20 0 GFADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000569240614 564455421 /nfs/dbraw/zinc/45/54/21/564455421.db2.gz UDMKYKANEGYAMU-AWEZNQCLSA-N -2 3 385.873 2.687 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000515746451 564487012 /nfs/dbraw/zinc/48/70/12/564487012.db2.gz ZSCSGEZCJLUXNV-JTQLQIEISA-N -2 3 381.262 2.863 20 0 GFADHL COc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000547585972 564498595 /nfs/dbraw/zinc/49/85/95/564498595.db2.gz ITWMCOZCLFVSHV-CQSZACIVSA-N -2 3 387.816 2.982 20 0 GFADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(=O)[O-] ZINC000547613144 564503160 /nfs/dbraw/zinc/50/31/60/564503160.db2.gz YTKQVMPARPNYJG-GWCFXTLKSA-N -2 3 391.873 2.684 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000547936083 564523551 /nfs/dbraw/zinc/52/35/51/564523551.db2.gz VNKUXYDGHLXIOA-WDEREUQCSA-N -2 3 391.873 2.684 20 0 GFADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547937283 564523759 /nfs/dbraw/zinc/52/37/59/564523759.db2.gz AKHQWJLJFMPZIA-NSHDSACASA-N -2 3 375.855 2.655 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000517122065 564525496 /nfs/dbraw/zinc/52/54/96/564525496.db2.gz NDNHWWZIOHNPBR-UHFFFAOYSA-N -2 3 385.825 2.864 20 0 GFADHL CC1([C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C(=O)[O-])CCCCC1 ZINC000548030198 564528293 /nfs/dbraw/zinc/52/82/93/564528293.db2.gz ZZUJYYIUFKHNAH-GFCCVEGCSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000548539899 564557023 /nfs/dbraw/zinc/55/70/23/564557023.db2.gz BMLIDJGFNZVNAH-UHFFFAOYSA-N -2 3 378.793 2.681 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548550723 564558587 /nfs/dbraw/zinc/55/85/87/564558587.db2.gz CWUQNQXPFJQSHZ-GXTWGEPZSA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(F)(F)F ZINC000572958473 564616858 /nfs/dbraw/zinc/61/68/58/564616858.db2.gz FGTGGSLKOHACGM-SSDOTTSWSA-N -2 3 377.743 2.552 20 0 GFADHL O=C([O-])[C@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000551245017 564643795 /nfs/dbraw/zinc/64/37/95/564643795.db2.gz PZCYSURAFSDMCB-NSHDSACASA-N -2 3 377.846 2.905 20 0 GFADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000551245116 564643828 /nfs/dbraw/zinc/64/38/28/564643828.db2.gz UJNLYXAZGKHXTR-AWEZNQCLSA-N -2 3 393.303 2.792 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000574561071 564679375 /nfs/dbraw/zinc/67/93/75/564679375.db2.gz NIABNNIUWGPQLK-WFASDCNBSA-N -2 3 381.372 2.739 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)sc1C(=O)[O-] ZINC000574572844 564680014 /nfs/dbraw/zinc/68/00/14/564680014.db2.gz BUUNKYFNLBNVKY-UHFFFAOYSA-N -2 3 398.359 2.786 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1CC(=O)[O-] ZINC000552828209 564702704 /nfs/dbraw/zinc/70/27/04/564702704.db2.gz KFHUQQZPVNQFIG-UHFFFAOYSA-N -2 3 381.475 2.986 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)cc1Cl ZINC000554676887 564770360 /nfs/dbraw/zinc/77/03/60/564770360.db2.gz NMAACCONBFOLGT-UHLUBPPHSA-N -2 3 382.265 2.780 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cccc(OCC(F)(F)F)c2)c1 ZINC000556200496 564815132 /nfs/dbraw/zinc/81/51/32/564815132.db2.gz DIXXTBNAUVMPFC-UHFFFAOYSA-N -2 3 395.380 2.866 20 0 GFADHL Cc1csc(S(=O)(=O)[N-][C@H](CSCCc2ccccc2)C(=O)[O-])c1 ZINC000583366076 564888483 /nfs/dbraw/zinc/88/84/83/564888483.db2.gz NLHVQSKOPBGLDQ-CQSZACIVSA-N -2 3 385.532 2.764 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C(F)F ZINC000583717735 564904321 /nfs/dbraw/zinc/90/43/21/564904321.db2.gz DXAOXUDWYBEGJZ-LURJTMIESA-N -2 3 395.733 2.993 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)Cc1ccc(Cl)cc1 ZINC000558871215 564916806 /nfs/dbraw/zinc/91/68/06/564916806.db2.gz WJRMNDOWGVAUGA-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC)s1 ZINC000468687307 564990835 /nfs/dbraw/zinc/99/08/35/564990835.db2.gz JGYLGEXCMZMUBT-UHFFFAOYSA-N -2 3 392.499 2.549 20 0 GFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000562378782 565026669 /nfs/dbraw/zinc/02/66/69/565026669.db2.gz SNOXQEWRWVNBJC-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-])C1CC1 ZINC000584666893 565090855 /nfs/dbraw/zinc/09/08/55/565090855.db2.gz NYIJTXUODPNTNC-JMCQJSRRSA-N -2 3 396.690 2.880 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000645949906 565578184 /nfs/dbraw/zinc/57/81/84/565578184.db2.gz OFURXCUPPBZQNQ-MRVPVSSYSA-N -2 3 375.349 2.927 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1)C(C)C ZINC000647129088 565639049 /nfs/dbraw/zinc/63/90/49/565639049.db2.gz BKYVGZGLRBZDEH-LBPRGKRZSA-N -2 3 380.260 2.560 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1)C(C)C ZINC000647128890 565639101 /nfs/dbraw/zinc/63/91/01/565639101.db2.gz SOUCVBGOMRWCSD-GFCCVEGCSA-N -2 3 380.260 2.560 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br)CC(F)F ZINC000647606265 565664761 /nfs/dbraw/zinc/66/47/61/565664761.db2.gz LRVRJPZNIBDKAN-SSDOTTSWSA-N -2 3 386.214 2.717 20 0 GFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C3CCOCC3)sc21 ZINC000650412610 565818298 /nfs/dbraw/zinc/81/82/98/565818298.db2.gz QECJXJWLIDSIIY-AWEZNQCLSA-N -2 3 383.491 2.758 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)CC1CC1 ZINC000650430142 565819918 /nfs/dbraw/zinc/81/99/18/565819918.db2.gz GPZXVTYMVAGXQL-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000629304846 565840582 /nfs/dbraw/zinc/84/05/82/565840582.db2.gz WEQMHWFKSPPUIX-SECBINFHSA-N -2 3 382.251 2.818 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1nc(C(=O)[O-])cs1 ZINC000629309395 565841748 /nfs/dbraw/zinc/84/17/48/565841748.db2.gz VJSCCIJRQSXADR-YFKPBYRVSA-N -2 3 386.398 2.961 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653492926 565969132 /nfs/dbraw/zinc/96/91/32/565969132.db2.gz DGJPRIDOQVQMLJ-DVVUODLYSA-N -2 3 380.388 2.514 20 0 GFADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000610193616 566070554 /nfs/dbraw/zinc/07/05/54/566070554.db2.gz CLZPZBIBPXIIDD-UHFFFAOYSA-N -2 3 376.459 2.624 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)c1ccc(Cl)cc1 ZINC000681573501 566113393 /nfs/dbraw/zinc/11/33/93/566113393.db2.gz XOSONNXUIIWSLB-NSHDSACASA-N -2 3 389.260 2.925 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000683729383 566211224 /nfs/dbraw/zinc/21/12/24/566211224.db2.gz KTYIXWJESDRXSN-BDJLRTHQSA-N -2 3 375.874 2.908 20 0 GFADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000736492300 598842395 /nfs/dbraw/zinc/84/23/95/598842395.db2.gz IWVMHHBFYWYHIA-UHFFFAOYSA-N -2 3 391.428 2.904 20 0 GFADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000736492300 598842396 /nfs/dbraw/zinc/84/23/96/598842396.db2.gz IWVMHHBFYWYHIA-UHFFFAOYSA-N -2 3 391.428 2.904 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736448513 599218594 /nfs/dbraw/zinc/21/85/94/599218594.db2.gz ZKHJLTGDURMJPM-AWEZNQCLSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736448513 599218597 /nfs/dbraw/zinc/21/85/97/599218597.db2.gz ZKHJLTGDURMJPM-AWEZNQCLSA-N -2 3 393.513 2.809 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000737300947 599285885 /nfs/dbraw/zinc/28/58/85/599285885.db2.gz GGPIVTLXAHMESH-UHFFFAOYSA-N -2 3 378.464 2.647 20 0 GFADHL Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737202191 598381856 /nfs/dbraw/zinc/38/18/56/598381856.db2.gz LCXKSKVRDMQQTQ-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737202191 598381857 /nfs/dbraw/zinc/38/18/57/598381857.db2.gz LCXKSKVRDMQQTQ-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738338153 598438617 /nfs/dbraw/zinc/43/86/17/598438617.db2.gz CRCHGDFBPQFUNV-UHFFFAOYSA-N -2 3 393.860 2.633 20 0 GFADHL O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738338153 598438619 /nfs/dbraw/zinc/43/86/19/598438619.db2.gz CRCHGDFBPQFUNV-UHFFFAOYSA-N -2 3 393.860 2.633 20 0 GFADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)nc1Cl ZINC000738343255 598594540 /nfs/dbraw/zinc/59/45/40/598594540.db2.gz VMNWTQUZXWNJIY-UHFFFAOYSA-N -2 3 389.199 2.508 20 0 GFADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)nc1Cl ZINC000738343255 598594541 /nfs/dbraw/zinc/59/45/41/598594541.db2.gz VMNWTQUZXWNJIY-UHFFFAOYSA-N -2 3 389.199 2.508 20 0 GFADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822241113 607377250 /nfs/dbraw/zinc/37/72/50/607377250.db2.gz LNTIQPLJEHENCA-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822241113 607377252 /nfs/dbraw/zinc/37/72/52/607377252.db2.gz LNTIQPLJEHENCA-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2)n1 ZINC000737250371 599737719 /nfs/dbraw/zinc/73/77/19/599737719.db2.gz GGUYJXHLZHNLQX-UHFFFAOYSA-N -3 3 389.389 2.504 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000068076260 599747168 /nfs/dbraw/zinc/74/71/68/599747168.db2.gz GTLVXRLAAMBCOE-UHFFFAOYSA-N -3 3 379.390 2.591 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3cccc(F)c3)nc2)o1 ZINC000740176681 599777310 /nfs/dbraw/zinc/77/73/10/599777310.db2.gz QHTHOCYZBPEVRU-UHFFFAOYSA-N -2 3 392.364 2.783 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(C(=O)[O-])s1 ZINC000737681779 599801807 /nfs/dbraw/zinc/80/18/07/599801807.db2.gz VBLRBFGZUFLCST-UHFFFAOYSA-N -2 3 393.801 2.826 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C(=O)[O-] ZINC000476738353 599925267 /nfs/dbraw/zinc/92/52/67/599925267.db2.gz LSIZUHVLIHKREM-UHFFFAOYSA-N -3 3 379.390 2.591 20 0 GFADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738837591 600123185 /nfs/dbraw/zinc/12/31/85/600123185.db2.gz ICHIPMQBZRCXND-UHFFFAOYSA-N -2 3 397.366 2.551 20 0 GFADHL CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000484569096 600236008 /nfs/dbraw/zinc/23/60/08/600236008.db2.gz JRQADFUEDLOANH-UHFFFAOYSA-N -2 3 394.424 2.807 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000268635643 600256145 /nfs/dbraw/zinc/25/61/45/600256145.db2.gz QAAOTAFMFVGHKV-ZDUSSCGKSA-N -2 3 390.461 2.719 20 0 GFADHL CN(Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1)C(=O)[O-] ZINC000737479321 600331249 /nfs/dbraw/zinc/33/12/49/600331249.db2.gz WIYJOBLJGNRPDN-KRWDZBQOSA-N -2 3 397.431 2.745 20 0 GFADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)cc2F)c1 ZINC000738810253 600636562 /nfs/dbraw/zinc/63/65/62/600636562.db2.gz WNCZMPRJQQALCK-UHFFFAOYSA-N -2 3 391.380 2.524 20 0 GFADHL CC(C)(CC(=O)[O-])NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000736311076 600789034 /nfs/dbraw/zinc/78/90/34/600789034.db2.gz HFMPGGQDTUIJHO-UHFFFAOYSA-N -2 3 394.424 2.610 20 0 GFADHL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000609985899 600816273 /nfs/dbraw/zinc/81/62/73/600816273.db2.gz UBODLLFILFUXRA-UHFFFAOYSA-N -2 3 377.418 2.600 20 0 GFADHL Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000521869625 600990380 /nfs/dbraw/zinc/99/03/80/600990380.db2.gz ITBMVMDBRPALGM-RHSMWYFYSA-N -2 3 379.434 2.732 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCOC2CCCCC2)c1F ZINC000833293999 600992608 /nfs/dbraw/zinc/99/26/08/600992608.db2.gz KPMOLAGQQOSZBL-UHFFFAOYSA-N -2 3 377.409 2.681 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)cc1CN(C)C ZINC000831945987 601200884 /nfs/dbraw/zinc/20/08/84/601200884.db2.gz NXTKKVJHCJVMDU-UHFFFAOYSA-N -2 3 384.479 2.626 20 0 GFADHL CCc1[nH]c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c(C)c1C(=O)[O-] ZINC000830202493 601383159 /nfs/dbraw/zinc/38/31/59/601383159.db2.gz LSPPCGQTXASRJO-UHFFFAOYSA-N -2 3 375.335 2.899 20 0 GFADHL CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000300656594 602161656 /nfs/dbraw/zinc/16/16/56/602161656.db2.gz KPLMTPUQUILRIY-VXNVDRBHSA-N -2 3 398.300 2.693 20 0 GFADHL Cc1nc(C)c(CC(=O)NC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)c(=O)[n-]1 ZINC000740216349 602360510 /nfs/dbraw/zinc/36/05/10/602360510.db2.gz FEQWXMUWBQZFAC-KRWDZBQOSA-N -2 3 386.452 2.590 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1NC(C)=O ZINC000739932928 602646380 /nfs/dbraw/zinc/64/63/80/602646380.db2.gz NWJMNICAWUFKPZ-UHFFFAOYSA-N -2 3 379.394 2.544 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])ccc1F ZINC000740717174 602646931 /nfs/dbraw/zinc/64/69/31/602646931.db2.gz SZOFFRGBRRMQMZ-UHFFFAOYSA-N -3 3 394.380 2.755 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])cc1 ZINC000740715527 602647001 /nfs/dbraw/zinc/64/70/01/602647001.db2.gz DNECDODMTDFWNN-UHFFFAOYSA-N -3 3 376.390 2.616 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)ccc1C ZINC000738562276 602779029 /nfs/dbraw/zinc/77/90/29/602779029.db2.gz SXSWYLFHLRTGHX-UHFFFAOYSA-N -2 3 381.385 2.983 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)N(C(=O)[O-])[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000740207763 602883661 /nfs/dbraw/zinc/88/36/61/602883661.db2.gz JNTKBDDVKAPUPE-VXGBXAGGSA-N -2 3 385.424 2.762 20 0 GFADHL CN(C(=O)[O-])c1ccc(OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000827914349 603050143 /nfs/dbraw/zinc/05/01/43/603050143.db2.gz PFXGJYVBXXXBPW-UHFFFAOYSA-N -2 3 382.369 2.531 20 0 GFADHL O=C([O-])NC1CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000740560087 603087238 /nfs/dbraw/zinc/08/72/38/603087238.db2.gz UDYMQGQNHPXMJZ-UHFFFAOYSA-N -2 3 384.351 2.702 20 0 GFADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])c2)n1 ZINC000829894062 603473762 /nfs/dbraw/zinc/47/37/62/603473762.db2.gz MZWGHOMXNSUEPL-KRWDZBQOSA-N -2 3 393.399 2.942 20 0 GFADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])c2)n1 ZINC000829894063 603473789 /nfs/dbraw/zinc/47/37/89/603473789.db2.gz MZWGHOMXNSUEPL-QGZVFWFLSA-N -2 3 393.399 2.942 20 0 GFADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(C)cc2C(=O)[O-])c1C ZINC000829869677 604356132 /nfs/dbraw/zinc/35/61/32/604356132.db2.gz LBVIRDPFMSSNTF-UHFFFAOYSA-N -2 3 381.406 2.583 20 0 GFADHL CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC000833466535 604744561 /nfs/dbraw/zinc/74/45/61/604744561.db2.gz ISJKIBATCWLJHW-UHFFFAOYSA-N -2 3 380.397 2.919 20 0 GFADHL Cc1nc(C)c(CC(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c(=O)[n-]1 ZINC000833754714 604888628 /nfs/dbraw/zinc/88/86/28/604888628.db2.gz DQAUJQFRCCJAKD-CQSZACIVSA-N -2 3 384.310 2.887 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1OC ZINC000833729066 605125007 /nfs/dbraw/zinc/12/50/07/605125007.db2.gz MKPJIGUGIFTTOT-UHFFFAOYSA-N -2 3 395.408 2.760 20 0 GFADHL O=C([O-])N1CCSC[C@H]1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000831413488 605327618 /nfs/dbraw/zinc/32/76/18/605327618.db2.gz BLPNLBOBFGRRFE-SECBINFHSA-N -2 3 375.244 2.579 20 0 GFADHL O=C([O-])Nc1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)c([O-])c1 ZINC000834256917 605978240 /nfs/dbraw/zinc/97/82/40/605978240.db2.gz TYQYWVCRCASMMW-UHFFFAOYSA-N -2 3 385.420 2.691 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000821308485 606598376 /nfs/dbraw/zinc/59/83/76/606598376.db2.gz BHLXYPUYQASOIT-UHFFFAOYSA-N -2 3 398.370 2.517 20 0 GFADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823588855 606713155 /nfs/dbraw/zinc/71/31/55/606713155.db2.gz CMGFAEGULYOAIV-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL CCCOc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821139310 606864060 /nfs/dbraw/zinc/86/40/60/606864060.db2.gz SOEIAUQQMRROCB-UHFFFAOYSA-N -2 3 395.391 2.735 20 0 GFADHL CCCOc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821139310 606864061 /nfs/dbraw/zinc/86/40/61/606864061.db2.gz SOEIAUQQMRROCB-UHFFFAOYSA-N -2 3 395.391 2.735 20 0 GFADHL CSCc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821969592 606866337 /nfs/dbraw/zinc/86/63/37/606866337.db2.gz BLCDFMCQALYWOD-UHFFFAOYSA-N -2 3 397.432 2.809 20 0 GFADHL CSCc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821969592 606866338 /nfs/dbraw/zinc/86/63/38/606866338.db2.gz BLCDFMCQALYWOD-UHFFFAOYSA-N -2 3 397.432 2.809 20 0 GFADHL CC(C)CCc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820081512 607025067 /nfs/dbraw/zinc/02/50/67/607025067.db2.gz JSKOQOMQTQEHER-UHFFFAOYSA-N -2 3 378.483 2.713 20 0 GFADHL CCSCc1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825674567 608057273 /nfs/dbraw/zinc/05/72/73/608057273.db2.gz NYBJMPMQWTZZNK-UHFFFAOYSA-N -2 3 390.494 2.624 20 0 GFADHL O=S(=O)([N-]c1cccc2ncccc12)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826492884 608101321 /nfs/dbraw/zinc/10/13/21/608101321.db2.gz JPCOTAIOJCQXJG-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1C ZINC000825081729 608582130 /nfs/dbraw/zinc/58/21/30/608582130.db2.gz MYWFPVQTHIMVDR-SECBINFHSA-N -2 3 395.876 2.797 20 0 GFADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1C ZINC000825081729 608582131 /nfs/dbraw/zinc/58/21/31/608582131.db2.gz MYWFPVQTHIMVDR-SECBINFHSA-N -2 3 395.876 2.797 20 0 GFADHL O=S(=O)(CCC1CC1)[N-]c1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000826484799 608886631 /nfs/dbraw/zinc/88/66/31/608886631.db2.gz PSAOZYXYGXOLFL-UHFFFAOYSA-N -2 3 386.437 2.596 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000824086554 609329929 /nfs/dbraw/zinc/32/99/29/609329929.db2.gz NGWQKPDIPMRZLY-LLVKDONJSA-N -2 3 395.382 2.651 20 0 GFADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825717991 609528489 /nfs/dbraw/zinc/52/84/89/609528489.db2.gz SPNHFOXXMAVBJB-UHFFFAOYSA-N -2 3 379.829 2.589 20 0 GFADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825717991 609528490 /nfs/dbraw/zinc/52/84/90/609528490.db2.gz SPNHFOXXMAVBJB-UHFFFAOYSA-N -2 3 379.829 2.589 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)cnc1Cl ZINC000826272318 660452431 /nfs/dbraw/zinc/45/24/31/660452431.db2.gz DIGOSZADYQZHBW-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(Br)c2)c(Cl)c1 ZINC000071392858 655000041 /nfs/dbraw/zinc/00/00/41/655000041.db2.gz QKXHOZWAVZLTSM-UHFFFAOYSA-N -2 3 391.630 2.997 20 0 GFADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])cc1Cl ZINC000275137643 655218762 /nfs/dbraw/zinc/21/87/62/655218762.db2.gz JMDBNXMVQVFCNI-QMMMGPOBSA-N -2 3 394.852 2.605 20 0 GFADHL CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000579705299 655502704 /nfs/dbraw/zinc/50/27/04/655502704.db2.gz LCAFHECRZLGFAP-ISVAXAHUSA-N -2 3 390.870 2.549 20 0 GFADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3F)CCC2)n1 ZINC000761292082 656008418 /nfs/dbraw/zinc/00/84/18/656008418.db2.gz KWRBNSQUSTXUHW-UHFFFAOYSA-N -2 3 384.454 2.955 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC2CCOCC2)C(=O)[O-])c1Cl ZINC000776597929 656764296 /nfs/dbraw/zinc/76/42/96/656764296.db2.gz AGIDZAQWTSLIBU-LBPRGKRZSA-N -2 3 396.292 2.850 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780376390 657001738 /nfs/dbraw/zinc/00/17/38/657001738.db2.gz HKTVKIIYRBLQPM-UHFFFAOYSA-N -2 3 376.406 2.797 20 0 GFADHL C[C@@H]1CC(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C[C@@H](C)O1 ZINC000802722827 659496266 /nfs/dbraw/zinc/49/62/66/659496266.db2.gz LHMSOOFTTHOTAS-NXEZZACHSA-N -2 3 377.409 2.535 20 0 GFADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCO1 ZINC000844895775 661446625 /nfs/dbraw/zinc/44/66/25/661446625.db2.gz WFXPSDMJLQUQFR-VIFPVBQESA-N -2 3 382.265 2.928 20 0 GFADHL C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000871917700 662741771 /nfs/dbraw/zinc/74/17/71/662741771.db2.gz NLOFJZDTUIFDDE-IUCAKERBSA-N -2 3 382.265 2.785 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000871999663 662750520 /nfs/dbraw/zinc/75/05/20/662750520.db2.gz ASCKTTWBMQDXEQ-HTQZYQBOSA-N -2 3 385.385 2.630 20 0 GFADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000899933027 663703026 /nfs/dbraw/zinc/70/30/26/663703026.db2.gz GHGRZWYEVFSGJV-UHFFFAOYSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000909158906 664147372 /nfs/dbraw/zinc/14/73/72/664147372.db2.gz HIZFHZLTCPFSHI-MJVIPROJSA-N -2 3 383.242 2.549 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000399487778 563533709 /nfs/dbraw/zinc/53/37/09/563533709.db2.gz ZKQRHYKCZKODFU-QPUJVOFHSA-N -2 3 382.251 2.612 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCCC1 ZINC000161827722 551598937 /nfs/dbraw/zinc/59/89/37/551598937.db2.gz GCISNPUWJCEWQF-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL CCn1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1C(=O)[O-] ZINC000277726538 563223347 /nfs/dbraw/zinc/22/33/47/563223347.db2.gz SQGUTGLBUVMDDB-UHFFFAOYSA-N -2 3 382.825 2.789 20 0 GFADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000421410042 563309437 /nfs/dbraw/zinc/30/94/37/563309437.db2.gz TYJDXCQQJVWQKY-JTQLQIEISA-N -2 3 383.388 2.985 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCCCC(=O)[O-] ZINC000314312721 563438427 /nfs/dbraw/zinc/43/84/27/563438427.db2.gz XBIZKNYRJBIGML-UHFFFAOYSA-N -2 3 394.287 2.771 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000314165066 563438634 /nfs/dbraw/zinc/43/86/34/563438634.db2.gz AZNTVJHMNPHDGI-UHFFFAOYSA-N -2 3 392.271 2.524 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](SC)C1 ZINC000326021729 563454448 /nfs/dbraw/zinc/45/44/48/563454448.db2.gz PHNIQBWGIRPYCU-GHMZBOCLSA-N -2 3 393.914 2.999 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)sc1Br ZINC000399752675 563534546 /nfs/dbraw/zinc/53/45/46/563534546.db2.gz VBWXNYQOBKUNKV-WCBMZHEXSA-N -2 3 384.317 2.843 20 0 GFADHL C=Cc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000436480984 563672160 /nfs/dbraw/zinc/67/21/60/563672160.db2.gz YVOWJWHPRJDPNZ-UHFFFAOYSA-N -2 3 382.463 2.511 20 0 GFADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)o1 ZINC000291916905 563764676 /nfs/dbraw/zinc/76/46/76/563764676.db2.gz MUUIYMOTQAILNO-UHFFFAOYSA-N -2 3 376.793 2.515 20 0 GFADHL CCCS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2ccc(C)o2)c(F)cc1F ZINC000540211901 564242113 /nfs/dbraw/zinc/24/21/13/564242113.db2.gz CZOMQOQZHCYBIO-UHFFFAOYSA-N -2 3 394.421 2.819 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474435490 564278835 /nfs/dbraw/zinc/27/88/35/564278835.db2.gz BDPITEXQPGNBGP-ZETCQYMHSA-N -2 3 378.834 2.552 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1 ZINC000509389115 564295471 /nfs/dbraw/zinc/29/54/71/564295471.db2.gz CWIJWMVFSSZIBN-UHFFFAOYSA-N -2 3 375.324 2.855 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000567564523 564377430 /nfs/dbraw/zinc/37/74/30/564377430.db2.gz XHBFGJYCRMUFDB-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000567796969 564389170 /nfs/dbraw/zinc/38/91/70/564389170.db2.gz KVSDAYLNNMWXNP-LLVKDONJSA-N -2 3 385.463 2.693 20 0 GFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000515739944 564486602 /nfs/dbraw/zinc/48/66/02/564486602.db2.gz QUWSRHOYIMXNDW-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000547546485 564492213 /nfs/dbraw/zinc/49/22/13/564492213.db2.gz VPDIMUPXZOPQCI-GXFFZTMASA-N -2 3 375.830 2.512 20 0 GFADHL COc1ccccc1C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000547571520 564495740 /nfs/dbraw/zinc/49/57/40/564495740.db2.gz XTUFGGSHMNVFRB-LLVKDONJSA-N -2 3 389.882 2.632 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1c(F)cccc1F ZINC000547612660 564502739 /nfs/dbraw/zinc/50/27/39/564502739.db2.gz ODHBNYDBTDPZJP-CQSZACIVSA-N -2 3 375.780 2.864 20 0 GFADHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C(=O)[O-])c1C ZINC000547639658 564505214 /nfs/dbraw/zinc/50/52/14/564505214.db2.gz NXXCYPUCBSZELO-CYBMUJFWSA-N -2 3 388.239 2.763 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000547871981 564514250 /nfs/dbraw/zinc/51/42/50/564514250.db2.gz LIQCIMVGCRIKPJ-MFKMUULPSA-N -2 3 375.830 2.512 20 0 GFADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000547869282 564514269 /nfs/dbraw/zinc/51/42/69/564514269.db2.gz DNDBBZKRCQZYKY-SMDDNHRTSA-N -2 3 387.479 2.580 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])cc1Cl ZINC000547889671 564516775 /nfs/dbraw/zinc/51/67/75/564516775.db2.gz QDMGXQVYAZBVGC-GXTWGEPZSA-N -2 3 382.265 2.924 20 0 GFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000547931528 564522024 /nfs/dbraw/zinc/52/20/24/564522024.db2.gz CLGNEZNKPYLMCQ-SECBINFHSA-N -2 3 384.679 2.738 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000547933591 564522781 /nfs/dbraw/zinc/52/27/81/564522781.db2.gz XYTUMMZBHIBUEF-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])c1 ZINC000548228145 564539274 /nfs/dbraw/zinc/53/92/74/564539274.db2.gz CJSKEMQKMWXAJG-LLVKDONJSA-N -2 3 394.287 2.625 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCOCC1 ZINC000548234907 564540534 /nfs/dbraw/zinc/54/05/34/564540534.db2.gz FMOYPQUXNHGOEL-GFCCVEGCSA-N -2 3 382.265 2.542 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]C[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000548530120 564556281 /nfs/dbraw/zinc/55/62/81/564556281.db2.gz QUTGTRBEHXEWIA-LLVKDONJSA-N -2 3 389.882 2.632 20 0 GFADHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000548542056 564558157 /nfs/dbraw/zinc/55/81/57/564558157.db2.gz HMDHOTZNADZUAC-SECBINFHSA-N -2 3 382.301 2.822 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2cccc(Cl)c2)C(=O)[O-])c(F)cc1F ZINC000548559481 564560334 /nfs/dbraw/zinc/56/03/34/564560334.db2.gz OOPRNAYBUITOEN-CQSZACIVSA-N -2 3 389.807 2.901 20 0 GFADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCCCC(=O)[O-] ZINC000548580159 564563904 /nfs/dbraw/zinc/56/39/04/564563904.db2.gz RPDGJCHKJAUCNF-UHFFFAOYSA-N -2 3 385.463 2.611 20 0 GFADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000486775586 564666619 /nfs/dbraw/zinc/66/66/19/564666619.db2.gz SDCIDNMYOZMSHA-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000486775586 564666622 /nfs/dbraw/zinc/66/66/22/564666622.db2.gz SDCIDNMYOZMSHA-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]Cc1cccc(CSC)c1 ZINC000576514664 564714990 /nfs/dbraw/zinc/71/49/90/564714990.db2.gz DORQUFNBSQVTBV-UHFFFAOYSA-N -2 3 387.504 2.796 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000526060585 564718072 /nfs/dbraw/zinc/71/80/72/564718072.db2.gz AKGGINHUDKIJKM-JTQLQIEISA-N -2 3 398.359 2.714 20 0 GFADHL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000577112589 564725656 /nfs/dbraw/zinc/72/56/56/564725656.db2.gz ANZQHNBMMGYFPS-UHFFFAOYSA-N -2 3 376.150 2.841 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000527051366 564728029 /nfs/dbraw/zinc/72/80/29/564728029.db2.gz DKEVOSSPMRUZNA-SNVBAGLBSA-N -2 3 381.262 2.863 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CCSc2ccccc2)C(=O)[O-])s1 ZINC000579656805 564750007 /nfs/dbraw/zinc/75/00/07/564750007.db2.gz GYPYIJXKAMFDIX-LBPRGKRZSA-N -2 3 386.520 2.619 20 0 GFADHL O=C([O-])[C@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000555410647 564792144 /nfs/dbraw/zinc/79/21/44/564792144.db2.gz LSPGOPHXDKJEPA-JKSUJKDBSA-N -2 3 389.901 2.544 20 0 GFADHL Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000581189128 564792279 /nfs/dbraw/zinc/79/22/79/564792279.db2.gz WXSGETVNZKTSJE-GDBMZVCRSA-N -2 3 381.475 2.953 20 0 GFADHL Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000581189131 564792328 /nfs/dbraw/zinc/79/23/28/564792328.db2.gz WXSGETVNZKTSJE-ZBFHGGJFSA-N -2 3 381.475 2.953 20 0 GFADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000582358466 564842608 /nfs/dbraw/zinc/84/26/08/564842608.db2.gz YBKZCPGGIRQIQP-AWEZNQCLSA-N -2 3 377.871 2.713 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)Oc1ccccc1 ZINC000583097267 564875515 /nfs/dbraw/zinc/87/55/15/564875515.db2.gz ZBBVKJODYZPSLG-AWEZNQCLSA-N -2 3 390.244 2.804 20 0 GFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000583082331 564875556 /nfs/dbraw/zinc/87/55/56/564875556.db2.gz RJSJVXKKYPOZIG-LBPRGKRZSA-N -2 3 385.438 2.950 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000530339813 564876687 /nfs/dbraw/zinc/87/66/87/564876687.db2.gz VSZQOQOBFKDRKJ-LBPRGKRZSA-N -2 3 395.487 2.679 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H]1CCCOC1 ZINC000583807780 564908030 /nfs/dbraw/zinc/90/80/30/564908030.db2.gz ZVLTVPOTCZHAEO-YMTOWFKASA-N -2 3 389.882 2.713 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000466291955 564936453 /nfs/dbraw/zinc/93/64/53/564936453.db2.gz WOTWNDSBGWLAAC-DEOSSOPVSA-N -2 3 381.475 2.681 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1O ZINC000500288406 564949775 /nfs/dbraw/zinc/94/97/75/564949775.db2.gz IMTOYEXVZXTRSR-UHFFFAOYSA-N -2 3 385.825 2.927 20 0 GFADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000562643951 565037585 /nfs/dbraw/zinc/03/75/85/565037585.db2.gz QRGVWDOMNBBUSC-CMPLNLGQSA-N -2 3 380.388 2.802 20 0 GFADHL CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000537197833 565055131 /nfs/dbraw/zinc/05/51/31/565055131.db2.gz GSNGMVVQMKGXTG-UHFFFAOYSA-N -2 3 384.841 2.605 20 0 GFADHL CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000663137272 565396962 /nfs/dbraw/zinc/39/69/62/565396962.db2.gz XSWUGBJCRQQEQZ-UHFFFAOYSA-N -2 3 395.253 2.864 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000645943739 565577107 /nfs/dbraw/zinc/57/71/07/565577107.db2.gz DZAOGSHAWJUBQD-UHFFFAOYSA-N -2 3 377.340 2.826 20 0 GFADHL O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000646043306 565585203 /nfs/dbraw/zinc/58/52/03/565585203.db2.gz DIPLIKFYELMUKB-LBPRGKRZSA-N -2 3 380.388 2.802 20 0 GFADHL COC1(C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)[O-])CCC1 ZINC000650431939 565820914 /nfs/dbraw/zinc/82/09/14/565820914.db2.gz HYYAGHOZEXQPBO-JTQLQIEISA-N -2 3 382.265 2.684 20 0 GFADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-])C1CC1 ZINC000656169822 566109683 /nfs/dbraw/zinc/10/96/83/566109683.db2.gz ROYLANWURWBEAZ-NEPJUHHUSA-N -2 3 382.265 2.540 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cc(F)ccc1F ZINC000681566217 566112025 /nfs/dbraw/zinc/11/20/25/566112025.db2.gz AZMOQOHXMHLBAG-GFCCVEGCSA-N -2 3 379.743 2.862 20 0 GFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(I)cc1 ZINC000611247690 566124327 /nfs/dbraw/zinc/12/43/27/566124327.db2.gz YFNWOYHNQNTTFX-UHFFFAOYSA-N -2 3 393.177 2.937 20 0 GFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656513444 566131378 /nfs/dbraw/zinc/13/13/78/566131378.db2.gz YELFTZMRFVFEHM-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-] ZINC000656516747 566132691 /nfs/dbraw/zinc/13/26/91/566132691.db2.gz IVQLHGOEKZIDDJ-UWVGGRQHSA-N -2 3 394.287 2.625 20 0 GFADHL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736770267 598843424 /nfs/dbraw/zinc/84/34/24/598843424.db2.gz HOVRJPZXUXTENY-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736770267 598843426 /nfs/dbraw/zinc/84/34/26/598843426.db2.gz HOVRJPZXUXTENY-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822955407 599623536 /nfs/dbraw/zinc/62/35/36/599623536.db2.gz UBNNQHYZIRARRZ-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822955407 599623537 /nfs/dbraw/zinc/62/35/37/599623537.db2.gz UBNNQHYZIRARRZ-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccs1 ZINC000739635486 599725065 /nfs/dbraw/zinc/72/50/65/599725065.db2.gz RIOPELDXEDVBOG-ZETCQYMHSA-N -2 3 381.262 2.944 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1OCCCC(=O)[O-] ZINC000060360535 599768163 /nfs/dbraw/zinc/76/81/63/599768163.db2.gz CBJYNMLSZDZLKT-UHFFFAOYSA-N -3 3 393.417 2.738 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000268597822 599906945 /nfs/dbraw/zinc/90/69/45/599906945.db2.gz IVOQYBYGGXCPCW-UHFFFAOYSA-N -2 3 379.434 2.828 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1OCC(F)F ZINC000738636586 599927372 /nfs/dbraw/zinc/92/73/72/599927372.db2.gz REZDVCFINLWFAZ-UHFFFAOYSA-N -2 3 387.360 2.844 20 0 GFADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(CN(C)C(=O)[O-])cc3)ccc2O1 ZINC000736825621 600299710 /nfs/dbraw/zinc/29/97/10/600299710.db2.gz OQHQSMXZDUURHN-LBPRGKRZSA-N -2 3 376.434 2.921 20 0 GFADHL C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000736822663 600395808 /nfs/dbraw/zinc/39/58/08/600395808.db2.gz UHMWFGKREQFKFQ-GFCCVEGCSA-N -2 3 394.424 2.550 20 0 GFADHL CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000736164953 600536269 /nfs/dbraw/zinc/53/62/69/600536269.db2.gz GVKKHQLQEFADEA-UHFFFAOYSA-N -2 3 386.404 2.524 20 0 GFADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc(Br)cnc2Cl)s1 ZINC000739777348 600628014 /nfs/dbraw/zinc/62/80/14/600628014.db2.gz OFKALQCQFSCRSC-UHFFFAOYSA-N -2 3 391.634 2.619 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cc1C(=O)[O-] ZINC000264611326 600815535 /nfs/dbraw/zinc/81/55/35/600815535.db2.gz GQAFRSCVZQOMRS-UHFFFAOYSA-N -2 3 390.461 2.941 20 0 GFADHL Cc1csc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000314879695 601211035 /nfs/dbraw/zinc/21/10/35/601211035.db2.gz HYFRELBSHQJEDO-UHFFFAOYSA-N -2 3 381.262 2.935 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)c1F ZINC000833294689 601230689 /nfs/dbraw/zinc/23/06/89/601230689.db2.gz VGHHKSLEOJLRIM-UHFFFAOYSA-N -2 3 394.355 2.797 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1nc(C)cs1 ZINC000828994227 601234662 /nfs/dbraw/zinc/23/46/62/601234662.db2.gz MABIENOMHHUGLV-SECBINFHSA-N -2 3 376.406 2.858 20 0 GFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1cccnc1 ZINC000826687423 601259515 /nfs/dbraw/zinc/25/95/15/601259515.db2.gz IHWKICYCWOJXTF-GFCCVEGCSA-N -2 3 384.404 2.776 20 0 GFADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000831590498 601266745 /nfs/dbraw/zinc/26/67/45/601266745.db2.gz IXHHYAGLYAQHQK-LBPRGKRZSA-N -2 3 389.779 2.517 20 0 GFADHL CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000016122098 601318629 /nfs/dbraw/zinc/31/86/29/601318629.db2.gz JNFWMBWLGQOMOK-UHFFFAOYSA-N -2 3 380.397 2.919 20 0 GFADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1CN(C)C ZINC000832204175 601361438 /nfs/dbraw/zinc/36/14/38/601361438.db2.gz HVJIAONJSUPLPN-UHFFFAOYSA-N -2 3 378.450 2.564 20 0 GFADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)C2CC2)s1 ZINC000185067688 601580416 /nfs/dbraw/zinc/58/04/16/601580416.db2.gz ZHHFQGJGSNSREK-ZDUSSCGKSA-N -2 3 388.417 2.858 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(Cl)n1 ZINC000769637461 602106455 /nfs/dbraw/zinc/10/64/55/602106455.db2.gz GWWMLCYHEJWOTF-UHFFFAOYSA-N -2 3 377.205 2.896 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccc(C#N)cc1 ZINC000320307055 602143888 /nfs/dbraw/zinc/14/38/88/602143888.db2.gz CDZHFUUMSIPOBK-QMMMGPOBSA-N -2 3 399.222 2.651 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc1C(=O)[O-] ZINC000740063405 602245818 /nfs/dbraw/zinc/24/58/18/602245818.db2.gz IJSVZISOHHIORN-UHFFFAOYSA-N -3 3 390.417 2.843 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])c1C ZINC000740059696 602245911 /nfs/dbraw/zinc/24/59/11/602245911.db2.gz IZRQMXKFNZMHCJ-UHFFFAOYSA-N -3 3 390.417 2.843 20 0 GFADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740276026 602253979 /nfs/dbraw/zinc/25/39/79/602253979.db2.gz LVKDNUQRCMNDKJ-UHFFFAOYSA-N -2 3 393.403 2.844 20 0 GFADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)cc2)n[nH]1 ZINC000832900735 602296166 /nfs/dbraw/zinc/29/61/66/602296166.db2.gz LDHGKMNAOSQXFB-UHFFFAOYSA-N -2 3 389.389 2.715 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000826279125 607560001 /nfs/dbraw/zinc/56/00/01/607560001.db2.gz GKXBXVJFJLUJNS-ZDUSSCGKSA-N -2 3 399.476 2.564 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000826279125 607560003 /nfs/dbraw/zinc/56/00/03/607560003.db2.gz GKXBXVJFJLUJNS-ZDUSSCGKSA-N -2 3 399.476 2.564 20 0 GFADHL CCC(CC)(CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000739253693 602565128 /nfs/dbraw/zinc/56/51/28/602565128.db2.gz JIVMJHUBAUWQCW-UHFFFAOYSA-N -2 3 385.305 2.615 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@@](C)(CNC(=O)[O-])C(C)C)cc2)cc(=O)[n-]1 ZINC000830686417 604635023 /nfs/dbraw/zinc/63/50/23/604635023.db2.gz OTVTXLAYBBDFNL-IBGZPJMESA-N -2 3 387.440 2.961 20 0 GFADHL CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833482621 605208742 /nfs/dbraw/zinc/20/87/42/605208742.db2.gz FWSQJXAZOWQBHF-GHMZBOCLSA-N -2 3 377.409 2.535 20 0 GFADHL Cc1nc(C)c(CCC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c(=O)[n-]1 ZINC000833754961 605303101 /nfs/dbraw/zinc/30/31/01/605303101.db2.gz RRMWJHQQBREMMJ-LJQANCHMSA-N -2 3 379.416 2.827 20 0 GFADHL O=C([O-])N(CC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000831450943 605415282 /nfs/dbraw/zinc/41/52/82/605415282.db2.gz KYSTXVVFUYTZDM-UHFFFAOYSA-N -2 3 379.210 2.956 20 0 GFADHL O=C([O-])N[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000832789170 605881756 /nfs/dbraw/zinc/88/17/56/605881756.db2.gz JSQWBDUHFGAJCB-AWEZNQCLSA-N -2 3 379.210 2.780 20 0 GFADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000834279771 606035594 /nfs/dbraw/zinc/03/55/94/606035594.db2.gz WZYUAMOPAMEHBQ-UHFFFAOYSA-N -2 3 376.785 2.991 20 0 GFADHL O=S(=O)([N-]c1cccc(Oc2ncccc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000823589173 606433164 /nfs/dbraw/zinc/43/31/64/606433164.db2.gz RDLABTOTAPOHOP-UHFFFAOYSA-N -2 3 394.416 2.855 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cnc2ccsc2c1 ZINC000823588763 606591721 /nfs/dbraw/zinc/59/17/21/606591721.db2.gz AYDBCTWWBCZKFQ-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cnc2ccsc2c1 ZINC000823588763 606591723 /nfs/dbraw/zinc/59/17/23/606591723.db2.gz AYDBCTWWBCZKFQ-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1Cl ZINC000822266797 606751406 /nfs/dbraw/zinc/75/14/06/606751406.db2.gz JDDLZZUONYNZRN-UHFFFAOYSA-N -2 3 392.872 2.695 20 0 GFADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)c1 ZINC000822259489 606765270 /nfs/dbraw/zinc/76/52/70/606765270.db2.gz YYTPZENVULUEQN-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000822259489 606765271 /nfs/dbraw/zinc/76/52/71/606765271.db2.gz YYTPZENVULUEQN-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL CC1(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCCC1 ZINC000824816886 607806505 /nfs/dbraw/zinc/80/65/05/607806505.db2.gz JAJHDFZNLMNMGL-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL CC1(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCCC1 ZINC000824816886 607806506 /nfs/dbraw/zinc/80/65/06/607806506.db2.gz JAJHDFZNLMNMGL-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL O=S(=O)([N-]c1ccc2ncccc2c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492930 608101224 /nfs/dbraw/zinc/10/12/24/608101224.db2.gz LNILZGCLOLGWEO-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1ccc2ncccc2c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492930 608101225 /nfs/dbraw/zinc/10/12/25/608101225.db2.gz LNILZGCLOLGWEO-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824119588 608236544 /nfs/dbraw/zinc/23/65/44/608236544.db2.gz LISPVUOSXZQUMD-UHFFFAOYSA-N -2 3 391.428 2.984 20 0 GFADHL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824119588 608236545 /nfs/dbraw/zinc/23/65/45/608236545.db2.gz LISPVUOSXZQUMD-UHFFFAOYSA-N -2 3 391.428 2.984 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492327 609529124 /nfs/dbraw/zinc/52/91/24/609529124.db2.gz DQAZEXVHKSLBGA-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492327 609529126 /nfs/dbraw/zinc/52/91/26/609529126.db2.gz DQAZEXVHKSLBGA-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493171 609529529 /nfs/dbraw/zinc/52/95/29/609529529.db2.gz WVXOOAXAMLYJAE-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493171 609529531 /nfs/dbraw/zinc/52/95/31/609529531.db2.gz WVXOOAXAMLYJAE-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(Br)ccc1[O-] ZINC000821186240 660318198 /nfs/dbraw/zinc/31/81/98/660318198.db2.gz VABKWZGNRQUUKI-GFCCVEGCSA-N -2 3 380.260 2.628 20 0 GFADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(F)c(Cl)cc2Cl)s1 ZINC000059921965 654826185 /nfs/dbraw/zinc/82/61/85/654826185.db2.gz XLVFJAFBDQMPDJ-UHFFFAOYSA-N -2 3 385.229 2.608 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])s2)cs1 ZINC000275332027 655229894 /nfs/dbraw/zinc/22/98/94/655229894.db2.gz UHYKJDPVEDGFDU-SSDOTTSWSA-N -2 3 382.435 2.567 20 0 GFADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776611822 656766547 /nfs/dbraw/zinc/76/65/47/656766547.db2.gz BUOCYZIFWQYPGQ-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL CC(C)Cc1nsc([N-]C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)n1 ZINC000862189848 662272387 /nfs/dbraw/zinc/27/23/87/662272387.db2.gz DRNGGRQEUHYCHA-UHFFFAOYSA-N -2 3 376.360 2.760 20 0 GFADHL COC[C@@H]([N-]S(=O)(=O)c1c([O-])cccc1OC(F)(F)F)c1ccco1 ZINC000914214552 664386684 /nfs/dbraw/zinc/38/66/84/664386684.db2.gz LDRKKRACUSTSBE-SECBINFHSA-N -2 3 381.328 2.550 20 0 GFADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)[C@@H]([C@@H]2CCCO2)C1 ZINC000923160662 664623234 /nfs/dbraw/zinc/62/32/34/664623234.db2.gz UESSSBPBSJMWEA-KMUNFCNLSA-N -2 3 398.253 2.639 20 0 GFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000128063033 551346116 /nfs/dbraw/zinc/34/61/16/551346116.db2.gz DJIXSXYXWVLMQA-BDAKNGLRSA-N -2 3 382.301 2.822 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000131844238 551376322 /nfs/dbraw/zinc/37/63/22/551376322.db2.gz WZCINTLPBDCCKJ-UHFFFAOYSA-N -2 3 380.447 2.914 20 0 GFADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135326460 551387371 /nfs/dbraw/zinc/38/73/71/551387371.db2.gz YPHGPCQFJOHZSI-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)c(C)o1 ZINC000175991639 552133771 /nfs/dbraw/zinc/13/37/71/552133771.db2.gz BIJNSZHCHXJNQR-UHFFFAOYSA-N -2 3 398.491 2.637 20 0 GFADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000235082512 553068168 /nfs/dbraw/zinc/06/81/68/553068168.db2.gz NZCZAGUMDHQQNJ-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CCOc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000282116099 563398297 /nfs/dbraw/zinc/39/82/97/563398297.db2.gz KDADNGQQBIVGDN-UHFFFAOYSA-N -2 3 384.479 2.566 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000324106033 563451498 /nfs/dbraw/zinc/45/14/98/563451498.db2.gz DEBZSNRHDCLJRL-CQSZACIVSA-N -2 3 390.244 2.673 20 0 GFADHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000327691281 563459297 /nfs/dbraw/zinc/45/92/97/563459297.db2.gz SJTQAUVLLMVXBN-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1F ZINC000427316600 563465540 /nfs/dbraw/zinc/46/55/40/563465540.db2.gz SEYWEXMPKBDYJH-UHFFFAOYSA-N -2 3 375.324 2.969 20 0 GFADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)n1 ZINC000284158646 563466034 /nfs/dbraw/zinc/46/60/34/563466034.db2.gz WFVKOYYTGJOQBA-UHFFFAOYSA-N -2 3 394.236 2.597 20 0 GFADHL O=C(CNC(=O)c1cccc([O-])c1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000427544557 563469662 /nfs/dbraw/zinc/46/96/62/563469662.db2.gz BYLINRADXPRORN-UHFFFAOYSA-N -2 3 399.628 2.882 20 0 GFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000427681429 563472267 /nfs/dbraw/zinc/47/22/67/563472267.db2.gz COSKKXYXZYDTQL-SECBINFHSA-N -2 3 387.351 2.750 20 0 GFADHL CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)cs1 ZINC000393279235 563528499 /nfs/dbraw/zinc/52/84/99/563528499.db2.gz WSNBVDHXIVWNJB-UHFFFAOYSA-N -2 3 390.870 2.544 20 0 GFADHL Cc1nc(C2CCCC2)sc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000331391118 563548087 /nfs/dbraw/zinc/54/80/87/563548087.db2.gz JUPXGERYIYZMRG-UHFFFAOYSA-N -2 3 387.512 2.584 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000436993989 563687526 /nfs/dbraw/zinc/68/75/26/563687526.db2.gz JRLYOTAJMMHOIR-UHFFFAOYSA-N -3 3 375.324 2.996 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442212037 563769288 /nfs/dbraw/zinc/76/92/88/563769288.db2.gz GSAHGZXYGLJBBF-UHFFFAOYSA-N -2 3 377.752 2.882 20 0 GFADHL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)CCC2CCCC2)c1 ZINC000564636101 564242398 /nfs/dbraw/zinc/24/23/98/564242398.db2.gz DWILEJKMLJPXIY-UHFFFAOYSA-N -2 3 389.495 2.500 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]Cc2cccs2)c(F)c1 ZINC000450972790 564258000 /nfs/dbraw/zinc/25/80/00/564258000.db2.gz ROZAXGUVKYBVST-UHFFFAOYSA-N -2 3 392.499 2.517 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000540983003 564262046 /nfs/dbraw/zinc/26/20/46/564262046.db2.gz CUYBGHXZUTXUNH-SECBINFHSA-N -2 3 382.251 2.756 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1F ZINC000509616024 564306279 /nfs/dbraw/zinc/30/62/79/564306279.db2.gz FMCLFVCNOREKCD-UHFFFAOYSA-N -2 3 379.287 2.507 20 0 GFADHL CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000566175346 564314199 /nfs/dbraw/zinc/31/41/99/564314199.db2.gz ZSZBIVQVJIVEMX-QWHCGFSZSA-N -2 3 391.486 2.875 20 0 GFADHL CSc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl ZINC000476418359 564339014 /nfs/dbraw/zinc/33/90/14/564339014.db2.gz MIAPJEYBOPIRNN-UHFFFAOYSA-N -2 3 382.850 2.746 20 0 GFADHL CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476932814 564359466 /nfs/dbraw/zinc/35/94/66/564359466.db2.gz LSQOSGGGDSMILP-IUODEOHRSA-N -2 3 392.518 2.834 20 0 GFADHL C[C@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000512195591 564394528 /nfs/dbraw/zinc/39/45/28/564394528.db2.gz ZHNCFTMAGSPOEU-QWHCGFSZSA-N -2 3 392.518 2.692 20 0 GFADHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)sc1C(=O)[O-] ZINC000514790221 564457155 /nfs/dbraw/zinc/45/71/55/564457155.db2.gz ZEWAWZXZZSQNQE-ZETCQYMHSA-N -2 3 395.384 2.603 20 0 GFADHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000547610750 564502442 /nfs/dbraw/zinc/50/24/42/564502442.db2.gz HPTSMOHLGJJZOL-CQSZACIVSA-N -2 3 399.255 2.839 20 0 GFADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(=O)[O-] ZINC000547613156 564503375 /nfs/dbraw/zinc/50/33/75/564503375.db2.gz YTKQVMPARPNYJG-ZWNOBZJWSA-N -2 3 391.873 2.684 20 0 GFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000570393082 564503555 /nfs/dbraw/zinc/50/35/55/564503555.db2.gz BFLPGJPTIWZZGN-JSGCOSHPSA-N -2 3 389.788 2.579 20 0 GFADHL COc1ccc(Br)cc1S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-] ZINC000547639982 564505228 /nfs/dbraw/zinc/50/52/28/564505228.db2.gz XCWRJLGLJCMCAE-SECBINFHSA-N -2 3 394.287 2.625 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])cc1Cl ZINC000570533335 564510660 /nfs/dbraw/zinc/51/06/60/564510660.db2.gz OQXGJNCPDZPISM-RKDXNWHRSA-N -2 3 382.265 2.781 20 0 GFADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000547871979 564514608 /nfs/dbraw/zinc/51/46/08/564514608.db2.gz LIQCIMVGCRIKPJ-GWCFXTLKSA-N -2 3 375.830 2.512 20 0 GFADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000547884196 564516015 /nfs/dbraw/zinc/51/60/15/564516015.db2.gz IJNSDVVNKVCNBO-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000547897625 564517718 /nfs/dbraw/zinc/51/77/18/564517718.db2.gz ZWGSHFSKIDRYBD-JTQLQIEISA-N -2 3 382.251 2.756 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2Cl)C(=O)[O-])s1 ZINC000548207981 564536357 /nfs/dbraw/zinc/53/63/57/564536357.db2.gz QXCHJZOTCZQBJD-LLVKDONJSA-N -2 3 388.898 2.581 20 0 GFADHL Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000548204955 564536688 /nfs/dbraw/zinc/53/66/88/564536688.db2.gz XJLSKUPCJQMPFK-UHFFFAOYSA-N -2 3 395.289 2.978 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)c1 ZINC000548217297 564537582 /nfs/dbraw/zinc/53/75/82/564537582.db2.gz LXNCMBAZWYHRPD-ZBEGNZNMSA-N -2 3 375.874 2.908 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000548266333 564545566 /nfs/dbraw/zinc/54/55/66/564545566.db2.gz VAWYBGYBHLKBDW-LLVKDONJSA-N -2 3 378.834 2.657 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1F ZINC000548524889 564555359 /nfs/dbraw/zinc/55/53/59/564555359.db2.gz GZPRXYLPGNPVHF-NSHDSACASA-N -2 3 394.243 2.754 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)Cc1cccc(Cl)c1 ZINC000548538774 564557512 /nfs/dbraw/zinc/55/75/12/564557512.db2.gz LRSBTCDJWXWGRF-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1F ZINC000548562581 564560841 /nfs/dbraw/zinc/56/08/41/564560841.db2.gz WFYRHSRTOWTTKU-CYBMUJFWSA-N -2 3 377.315 2.737 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1F ZINC000548579171 564564169 /nfs/dbraw/zinc/56/41/69/564564169.db2.gz NIJJZAKCFGQLKD-LLVKDONJSA-N -2 3 377.315 2.737 20 0 GFADHL Cc1cc(CS(=O)(=O)[N-]c2c(C)c(Br)ccc2C(=O)[O-])on1 ZINC000548587724 564564939 /nfs/dbraw/zinc/56/49/39/564564939.db2.gz AADXASYDTDTOQS-UHFFFAOYSA-N -2 3 389.227 2.694 20 0 GFADHL O=C([O-])CSCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000548593008 564565932 /nfs/dbraw/zinc/56/59/32/564565932.db2.gz HXMXHKPODMYURT-UHFFFAOYSA-N -2 3 392.911 2.560 20 0 GFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000548619677 564567191 /nfs/dbraw/zinc/56/71/91/564567191.db2.gz AOFRPVCYFZGKRD-QMMMGPOBSA-N -2 3 382.251 2.756 20 0 GFADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000548765850 564573704 /nfs/dbraw/zinc/57/37/04/564573704.db2.gz HRDAHESCSYBMNL-GFCCVEGCSA-N -2 3 386.882 2.995 20 0 GFADHL COCCS(=O)(=O)[N-]c1cc(F)c(OC2CCCCC2)cc1C(=O)[O-] ZINC000484929644 564602252 /nfs/dbraw/zinc/60/22/52/564602252.db2.gz WBZMABSKURJYDA-UHFFFAOYSA-N -2 3 375.418 2.624 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c(Cl)c1 ZINC000485069629 564605568 /nfs/dbraw/zinc/60/55/68/564605568.db2.gz AECXZTKMLMEECN-GFCCVEGCSA-N -2 3 391.873 2.684 20 0 GFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551596393 564657284 /nfs/dbraw/zinc/65/72/84/564657284.db2.gz FWYBVVJHAVOATD-MRVPVSSYSA-N -2 3 384.679 2.738 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3cc(C(=O)[O-])co3)s2)cs1 ZINC000526951140 564723717 /nfs/dbraw/zinc/72/37/17/564723717.db2.gz NOXFDRGTKMYBRB-UHFFFAOYSA-N -2 3 384.460 2.950 20 0 GFADHL Cc1nc(-c2ccccc2)c(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)s1 ZINC000492109803 564798315 /nfs/dbraw/zinc/79/83/15/564798315.db2.gz OCEJPVMDFNZMEM-UHFFFAOYSA-N -2 3 395.491 2.594 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000581566763 564808086 /nfs/dbraw/zinc/80/80/86/564808086.db2.gz DDJUICAFFAOJKD-QWRGUYRKSA-N -2 3 380.388 2.802 20 0 GFADHL CCC(CC)([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000556056816 564811579 /nfs/dbraw/zinc/81/15/79/564811579.db2.gz WGMZUXPWNPGSKX-NSHDSACASA-N -2 3 393.889 2.675 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000556714344 564836626 /nfs/dbraw/zinc/83/66/26/564836626.db2.gz CQGLXNYLPWLNJO-VXGBXAGGSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H]1CCCOC1 ZINC000583807778 564907759 /nfs/dbraw/zinc/90/77/59/564907759.db2.gz ZVLTVPOTCZHAEO-OTYXRUKQSA-N -2 3 389.882 2.713 20 0 GFADHL O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000558879117 564917539 /nfs/dbraw/zinc/91/75/39/564917539.db2.gz YSCLQAUYWDSMOU-CYBMUJFWSA-N -2 3 393.770 2.732 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(Cl)cc1F ZINC000560081775 564949413 /nfs/dbraw/zinc/94/94/13/564949413.db2.gz HWUVKNSWDCFSJT-RNCFNFMXSA-N -2 3 381.853 2.723 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000562982227 565050629 /nfs/dbraw/zinc/05/06/29/565050629.db2.gz IQSXYAAESPKSJD-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@H](CSCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC000592451337 565277810 /nfs/dbraw/zinc/27/78/10/565277810.db2.gz SNLYIAHDRYYVFM-MRVPVSSYSA-N -2 3 389.392 2.577 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F ZINC000663293171 565408036 /nfs/dbraw/zinc/40/80/36/565408036.db2.gz BRWVSNXMGCDWNF-QMMMGPOBSA-N -2 3 389.779 2.670 20 0 GFADHL CCSC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)CC1 ZINC000596087577 565512929 /nfs/dbraw/zinc/51/29/29/565512929.db2.gz IBWBQLAMAFWDEK-UHFFFAOYSA-N -2 3 379.887 2.611 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H](C)Sc1ccccc1 ZINC000645983069 565580205 /nfs/dbraw/zinc/58/02/05/565580205.db2.gz PXGKFTSAOAVRSJ-JTQLQIEISA-N -2 3 387.504 2.914 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C1CCC1 ZINC000650412880 565818231 /nfs/dbraw/zinc/81/82/31/565818231.db2.gz MSIGGBFHEZBDNO-LLVKDONJSA-N -2 3 387.763 2.770 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c(F)cc1Br ZINC000650430525 565820094 /nfs/dbraw/zinc/82/00/94/565820094.db2.gz PZNISFINGIMBRE-SNVBAGLBSA-N -2 3 394.262 2.676 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000650427296 565820287 /nfs/dbraw/zinc/82/02/87/565820287.db2.gz FLAPBKYIYRTAES-SSDOTTSWSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)CC1CC1 ZINC000650431579 565820986 /nfs/dbraw/zinc/82/09/86/565820986.db2.gz WMWVZFYMYKWBKP-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)CC1CC1 ZINC000650430736 565821114 /nfs/dbraw/zinc/82/11/14/565821114.db2.gz WBOOJSSJPKYDEK-SECBINFHSA-N -2 3 383.800 2.721 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C(=O)[O-])CC2)c(Cl)c1Cl ZINC000630434325 565901401 /nfs/dbraw/zinc/90/14/01/565901401.db2.gz PFUCIPVYQAFPEX-KYZUINATSA-N -2 3 382.265 2.924 20 0 GFADHL CCC[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000653670313 565977453 /nfs/dbraw/zinc/97/74/53/565977453.db2.gz AKJRLJLCRZMIDL-VIFPVBQESA-N -2 3 381.226 2.521 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(F)ccc1F ZINC000681568050 566113755 /nfs/dbraw/zinc/11/37/55/566113755.db2.gz RKGSXGMWJDIVCT-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656517856 566133129 /nfs/dbraw/zinc/13/31/29/566133129.db2.gz QUEUVCQDCSGWTC-NSHDSACASA-N -2 3 382.663 2.634 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-] ZINC000682536585 566161696 /nfs/dbraw/zinc/16/16/96/566161696.db2.gz SFSOEVXBENMTPA-LLVKDONJSA-N -2 3 393.889 2.533 20 0 GFADHL CC(C)(O)C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000683181655 566186794 /nfs/dbraw/zinc/18/67/94/566186794.db2.gz JYYIJAMEKQGECH-UHFFFAOYSA-N -2 3 384.841 2.556 20 0 GFADHL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)cc2s1 ZINC000737488616 598841574 /nfs/dbraw/zinc/84/15/74/598841574.db2.gz SMPHVYNWHPHFQR-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)cc2s1 ZINC000737488616 598841576 /nfs/dbraw/zinc/84/15/76/598841576.db2.gz SMPHVYNWHPHFQR-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL O=S(=O)([N-]c1ccnn1C1CCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738339690 598867511 /nfs/dbraw/zinc/86/75/11/598867511.db2.gz PKROWOSQSJUPGF-UHFFFAOYSA-N -2 3 393.860 2.633 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000737301755 598969022 /nfs/dbraw/zinc/96/90/22/598969022.db2.gz SEFKVZYGYRRKNZ-UHFFFAOYSA-N -2 3 378.483 2.730 20 0 GFADHL C[C@@H](NC(=O)c1cccc(Br)c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736123453 598407861 /nfs/dbraw/zinc/40/78/61/598407861.db2.gz PLSBTZHNPDVDTA-SECBINFHSA-N -2 3 388.225 2.826 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccccc2)n1 ZINC000486761198 598423817 /nfs/dbraw/zinc/42/38/17/598423817.db2.gz USPFSOGCWXAXGY-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1csc(-c2ccccc2)n1 ZINC000486761198 598423819 /nfs/dbraw/zinc/42/38/19/598423819.db2.gz USPFSOGCWXAXGY-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC000736230771 598481419 /nfs/dbraw/zinc/48/14/19/598481419.db2.gz VCURQWVCHVBOGJ-STQMWFEESA-N -2 3 391.497 2.524 20 0 GFADHL C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000736230771 598481420 /nfs/dbraw/zinc/48/14/20/598481420.db2.gz VCURQWVCHVBOGJ-STQMWFEESA-N -2 3 391.497 2.524 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736445061 598536431 /nfs/dbraw/zinc/53/64/31/598536431.db2.gz JFLACRMJIBIEFB-ZDUSSCGKSA-N -2 3 379.486 2.668 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736445061 598536433 /nfs/dbraw/zinc/53/64/33/598536433.db2.gz JFLACRMJIBIEFB-ZDUSSCGKSA-N -2 3 379.486 2.668 20 0 GFADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000739927207 599858199 /nfs/dbraw/zinc/85/81/99/599858199.db2.gz OCXOTYYZYKXMJO-SECBINFHSA-N -2 3 386.779 2.780 20 0 GFADHL Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000738616152 600159476 /nfs/dbraw/zinc/15/94/76/600159476.db2.gz PKNZHONWERVHPE-STQMWFEESA-N -2 3 392.408 2.594 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c([O-])c1 ZINC000738514362 600328799 /nfs/dbraw/zinc/32/87/99/600328799.db2.gz DEATYKXFFBGPCS-QGZVFWFLSA-N -2 3 391.807 2.843 20 0 GFADHL Cc1nc(C)c(CC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000738844751 600415970 /nfs/dbraw/zinc/41/59/70/600415970.db2.gz OHLGZMPZUGJBJK-QGZVFWFLSA-N -2 3 385.464 2.971 20 0 GFADHL O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000740026005 600447448 /nfs/dbraw/zinc/44/74/48/600447448.db2.gz YJEPOPRYHKPNPR-UHFFFAOYSA-N -2 3 390.248 2.999 20 0 GFADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000739687592 600489759 /nfs/dbraw/zinc/48/97/59/600489759.db2.gz SNSOJIFSMWHBPI-UHFFFAOYSA-N -2 3 377.418 2.761 20 0 GFADHL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000042792391 600542602 /nfs/dbraw/zinc/54/26/02/600542602.db2.gz LMQFOJWKRVZGLN-UHFFFAOYSA-N -2 3 392.433 2.851 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000466255839 600545877 /nfs/dbraw/zinc/54/58/77/600545877.db2.gz LXQGOXPUDUGNMU-MRXNPFEDSA-N -2 3 377.418 2.662 20 0 GFADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000740143024 600896841 /nfs/dbraw/zinc/89/68/41/600896841.db2.gz AEFCXFTUWCPDRL-UHFFFAOYSA-N -2 3 396.465 2.878 20 0 GFADHL Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1C(=O)[O-] ZINC000832948319 601067263 /nfs/dbraw/zinc/06/72/63/601067263.db2.gz ZUKDQVFYNXUKSV-UHFFFAOYSA-N -2 3 392.408 2.525 20 0 GFADHL CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1(C)C ZINC000829413768 601240658 /nfs/dbraw/zinc/24/06/58/601240658.db2.gz XGDAUNHBRCTGSW-STQMWFEESA-N -2 3 391.436 2.925 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])sc1Br ZINC000127330048 601256591 /nfs/dbraw/zinc/25/65/91/601256591.db2.gz OKRZELSVCGSEPJ-SECBINFHSA-N -2 3 384.317 2.844 20 0 GFADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000831390528 601320558 /nfs/dbraw/zinc/32/05/58/601320558.db2.gz PCVJLCISMFVSIS-WTKPLQERSA-N -2 3 379.365 2.511 20 0 GFADHL CCc1oc(C(=O)[O-])cc1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000830384156 601462039 /nfs/dbraw/zinc/46/20/39/601462039.db2.gz IZYSLOPGMSMTAM-CQSZACIVSA-N -2 3 387.388 2.594 20 0 GFADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000826636869 601829940 /nfs/dbraw/zinc/82/99/40/601829940.db2.gz RKRWFGBUHRRBJI-UHFFFAOYSA-N -2 3 399.852 2.989 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000832868494 601862858 /nfs/dbraw/zinc/86/28/58/601862858.db2.gz NGMOVEYSZSOEBQ-UHFFFAOYSA-N -3 3 378.406 2.604 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1-c1nnn[n-]1 ZINC000826304055 607532894 /nfs/dbraw/zinc/53/28/94/607532894.db2.gz UJLIKBVZDBJNAF-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1-c1nn[n-]n1 ZINC000826304055 607532895 /nfs/dbraw/zinc/53/28/95/607532895.db2.gz UJLIKBVZDBJNAF-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739040903 601993448 /nfs/dbraw/zinc/99/34/48/601993448.db2.gz XIWNVIZRMNSYQL-DTWKUNHWSA-N -2 3 397.316 2.567 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2Cl)c(Br)o1 ZINC000055313159 602139948 /nfs/dbraw/zinc/13/99/48/602139948.db2.gz ADVHRLUQPSNTPY-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c(Br)o1 ZINC000315752462 602147939 /nfs/dbraw/zinc/14/79/39/602147939.db2.gz RUYAGTWSJHCBLI-ZJUUUORDSA-N -2 3 386.223 2.575 20 0 GFADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@@H](C)C1 ZINC000226176746 602154825 /nfs/dbraw/zinc/15/48/25/602154825.db2.gz YGNRDDONVDYIIH-HRDYMLBCSA-N -2 3 380.260 2.843 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1noc(-c2ccccc2)n1 ZINC000827754983 602172457 /nfs/dbraw/zinc/17/24/57/602172457.db2.gz OKFULCFPWUHXOV-VIFPVBQESA-N -2 3 379.419 2.536 20 0 GFADHL O=C([O-])N(CCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000740488719 602315078 /nfs/dbraw/zinc/31/50/78/602315078.db2.gz JAWRJWIOOHBQCN-UHFFFAOYSA-N -2 3 384.351 2.655 20 0 GFADHL C[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1[O-])N1CCc2sccc2C1 ZINC000738938577 602846467 /nfs/dbraw/zinc/84/64/67/602846467.db2.gz FQTZDFNHSUPARC-NSHDSACASA-N -2 3 375.450 2.720 20 0 GFADHL O=C([O-])NCc1ccc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)o1 ZINC000832710659 602882697 /nfs/dbraw/zinc/88/26/97/602882697.db2.gz RXYFRGZMVQDLDK-UHFFFAOYSA-N -2 3 376.369 2.881 20 0 GFADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000828580579 604806729 /nfs/dbraw/zinc/80/67/29/604806729.db2.gz OCLJWHKAMXLTMF-UHFFFAOYSA-N -2 3 377.418 2.934 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(OC)c1C(=O)[O-] ZINC000833734452 604862100 /nfs/dbraw/zinc/86/21/00/604862100.db2.gz FPTJVALFLAQINF-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1nc(C2CCCCC2)no1 ZINC000833523816 605041303 /nfs/dbraw/zinc/04/13/03/605041303.db2.gz YHERPWKQWMTJOJ-NSHDSACASA-N -2 3 379.438 2.855 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)c(Br)o1 ZINC000391552206 605075513 /nfs/dbraw/zinc/07/55/13/605075513.db2.gz OJFNPFMCOKPSSB-UHFFFAOYSA-N -2 3 378.244 2.599 20 0 GFADHL CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833482625 605208767 /nfs/dbraw/zinc/20/87/67/605208767.db2.gz FWSQJXAZOWQBHF-QWRGUYRKSA-N -2 3 377.409 2.535 20 0 GFADHL O=C([O-])N1CCC2(C[C@@H]2C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000834047272 605955781 /nfs/dbraw/zinc/95/57/81/605955781.db2.gz AICCNBDCQQTVHM-LLVKDONJSA-N -2 3 383.242 2.551 20 0 GFADHL Cc1sc2[n-]c([C@H](C)OC(=O)c3cnc(NC(=O)[O-])cn3)nc(=O)c2c1C ZINC000833934678 606009349 /nfs/dbraw/zinc/00/93/49/606009349.db2.gz BFPPZRVQFZOGJE-ZETCQYMHSA-N -2 3 389.393 2.812 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)s1 ZINC000822432135 606208945 /nfs/dbraw/zinc/20/89/45/606208945.db2.gz YEZNHVPFGNDTGD-UHFFFAOYSA-N -2 3 394.482 2.528 20 0 GFADHL O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1ccccc1-c1nn[n-]n1 ZINC000823589129 606332062 /nfs/dbraw/zinc/33/20/62/606332062.db2.gz OOQSCXZPKLELPK-UHFFFAOYSA-N -2 3 389.412 2.738 20 0 GFADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821043190 606614392 /nfs/dbraw/zinc/61/43/92/606614392.db2.gz MMZYEOZASILCIA-UHFFFAOYSA-N -2 3 379.486 2.587 20 0 GFADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821043190 606614393 /nfs/dbraw/zinc/61/43/93/606614393.db2.gz MMZYEOZASILCIA-UHFFFAOYSA-N -2 3 379.486 2.587 20 0 GFADHL Cc1c2nc([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)sc2ccc1F ZINC000822034588 606768602 /nfs/dbraw/zinc/76/86/02/606768602.db2.gz IAFHWHMAQOCLMR-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL Cc1c2nc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)sc2ccc1F ZINC000822034588 606768603 /nfs/dbraw/zinc/76/86/03/606768603.db2.gz IAFHWHMAQOCLMR-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL CSc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821984761 606864134 /nfs/dbraw/zinc/86/41/34/606864134.db2.gz SIQGZQKOVFFEQM-UHFFFAOYSA-N -2 3 383.405 2.668 20 0 GFADHL CSc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821984761 606864136 /nfs/dbraw/zinc/86/41/36/606864136.db2.gz SIQGZQKOVFFEQM-UHFFFAOYSA-N -2 3 383.405 2.668 20 0 GFADHL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000822435817 607155981 /nfs/dbraw/zinc/15/59/81/607155981.db2.gz BPIAHMGVYKRKEC-UHFFFAOYSA-N -2 3 392.510 2.939 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000826279100 607924477 /nfs/dbraw/zinc/92/44/77/607924477.db2.gz FQMAQIYCLFBADX-CYBMUJFWSA-N -2 3 391.497 2.587 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000826279100 607924478 /nfs/dbraw/zinc/92/44/78/607924478.db2.gz FQMAQIYCLFBADX-CYBMUJFWSA-N -2 3 391.497 2.587 20 0 GFADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1c(Cl)ccnc1Cl ZINC000826493137 608351375 /nfs/dbraw/zinc/35/13/75/608351375.db2.gz VIYNONGAOJSZII-UHFFFAOYSA-N -2 3 389.199 2.508 20 0 GFADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1c(Cl)ccnc1Cl ZINC000826493137 608351378 /nfs/dbraw/zinc/35/13/78/608351378.db2.gz VIYNONGAOJSZII-UHFFFAOYSA-N -2 3 389.199 2.508 20 0 GFADHL O=C(COc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000826419501 608387450 /nfs/dbraw/zinc/38/74/50/608387450.db2.gz ZWOYVSMBSSTYQX-UHFFFAOYSA-N -2 3 380.191 2.897 20 0 GFADHL O=C(COc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000826419501 608387452 /nfs/dbraw/zinc/38/74/52/608387452.db2.gz ZWOYVSMBSSTYQX-UHFFFAOYSA-N -2 3 380.191 2.897 20 0 GFADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826451509 609259454 /nfs/dbraw/zinc/25/94/54/609259454.db2.gz JRQNVKBMHVNUFD-LBPRGKRZSA-N -2 3 380.191 2.551 20 0 GFADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826451509 609259456 /nfs/dbraw/zinc/25/94/56/609259456.db2.gz JRQNVKBMHVNUFD-LBPRGKRZSA-N -2 3 380.191 2.551 20 0 GFADHL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000824319167 609422646 /nfs/dbraw/zinc/42/26/46/609422646.db2.gz HXRSOALANIJTAW-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000824319167 609422648 /nfs/dbraw/zinc/42/26/48/609422648.db2.gz HXRSOALANIJTAW-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1-c1nn[n-]n1 ZINC000826299736 609499929 /nfs/dbraw/zinc/49/99/29/609499929.db2.gz SJIWXCLUJCZTPI-UHFFFAOYSA-N -2 3 395.391 2.620 20 0 GFADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825605054 609527555 /nfs/dbraw/zinc/52/75/55/609527555.db2.gz PGICKCSZYHTOGZ-UHFFFAOYSA-N -2 3 393.856 2.857 20 0 GFADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825605054 609527558 /nfs/dbraw/zinc/52/75/58/609527558.db2.gz PGICKCSZYHTOGZ-UHFFFAOYSA-N -2 3 393.856 2.857 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000819088664 660246071 /nfs/dbraw/zinc/24/60/71/660246071.db2.gz DCVUDSKZPCSCAA-XCBNKYQSSA-N -2 3 399.694 2.521 20 0 GFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000031665315 654597684 /nfs/dbraw/zinc/59/76/84/654597684.db2.gz UWNNTWRSEAGFTB-UHFFFAOYSA-N -2 3 386.223 2.962 20 0 GFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161823786 655128732 /nfs/dbraw/zinc/12/87/32/655128732.db2.gz PKQQYZIXYGTWFF-VIFPVBQESA-N -2 3 382.251 2.613 20 0 GFADHL CC(C)c1n[nH]c(C(=O)[N-]N=c2cnc3ccccc3[n-]2)c1Br ZINC000193521411 655410724 /nfs/dbraw/zinc/41/07/24/655410724.db2.gz BUQWEOMKNMXFDG-UHFFFAOYSA-N -2 3 375.230 2.996 20 0 GFADHL O=C([O-])[C@@H](CCSc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000580137127 655508911 /nfs/dbraw/zinc/50/89/11/655508911.db2.gz HQCYSAYEHRKBHV-CQSZACIVSA-N -2 3 387.429 2.879 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@@H]1CC1(C)C ZINC000841491613 661273150 /nfs/dbraw/zinc/27/31/50/661273150.db2.gz OKAWARODXOTEEV-YUMQZZPRSA-N -2 3 380.260 2.843 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)c1ccc(F)cc1F ZINC000776566109 656759637 /nfs/dbraw/zinc/75/96/37/656759637.db2.gz VOPSIFUKMVVSSZ-NSHDSACASA-N -2 3 376.768 2.508 20 0 GFADHL O=C([O-])[C@@H](CCSc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000811673040 660014083 /nfs/dbraw/zinc/01/40/83/660014083.db2.gz BLXVZISYROPZRR-GFCCVEGCSA-N -2 3 386.882 2.649 20 0 GFADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000843292933 661376378 /nfs/dbraw/zinc/37/63/78/661376378.db2.gz CXPWZYHXWHQZFC-SNVBAGLBSA-N -2 3 397.902 2.664 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)[C@H]1CCCOC1 ZINC000871937215 662743977 /nfs/dbraw/zinc/74/39/77/662743977.db2.gz SITFPZDUKPFAMR-BDAKNGLRSA-N -2 3 382.265 2.785 20 0 GFADHL CCSc1nnc([N-]C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000030568596 551127858 /nfs/dbraw/zinc/12/78/58/551127858.db2.gz ZQEJERUOURVCPG-UHFFFAOYSA-N -2 3 390.512 2.572 20 0 GFADHL CCc1ncc(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)s1 ZINC000065108810 551185976 /nfs/dbraw/zinc/18/59/76/551185976.db2.gz NXIPUYCDIGUZGP-UHFFFAOYSA-N -2 3 395.491 2.610 20 0 GFADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000153717776 551459102 /nfs/dbraw/zinc/45/91/02/551459102.db2.gz DVZPVXWDEJWWFR-UHFFFAOYSA-N -2 3 392.499 2.603 20 0 GFADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CN1C1CC1 ZINC000185104965 552354283 /nfs/dbraw/zinc/35/42/83/552354283.db2.gz CHORWCGEBOLRHF-RKDXNWHRSA-N -2 3 393.292 2.595 20 0 GFADHL Cc1c(Br)ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1F ZINC000193468489 552994111 /nfs/dbraw/zinc/99/41/11/552994111.db2.gz UIQHERAPOKTRFL-UHFFFAOYSA-N -2 3 377.191 2.724 20 0 GFADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000386596118 563518924 /nfs/dbraw/zinc/51/89/24/563518924.db2.gz WDOPVRYOAGLVAY-AWEZNQCLSA-N -2 3 394.287 2.770 20 0 GFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000320526390 563447120 /nfs/dbraw/zinc/44/71/20/563447120.db2.gz HWNBMHYXOVLSOI-UHFFFAOYSA-N -2 3 375.811 2.938 20 0 GFADHL CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000322312538 563450078 /nfs/dbraw/zinc/45/00/78/563450078.db2.gz YLSNQGWUPYSARQ-VIFPVBQESA-N -2 3 381.903 2.857 20 0 GFADHL O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000323914061 563451534 /nfs/dbraw/zinc/45/15/34/563451534.db2.gz GQDMGICJDBSRBO-LBPRGKRZSA-N -2 3 384.866 2.857 20 0 GFADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1C ZINC000427250094 563463270 /nfs/dbraw/zinc/46/32/70/563463270.db2.gz QCWUAOHOQYTLSQ-UHFFFAOYSA-N -2 3 388.239 2.836 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)CC(=O)[O-] ZINC000380176904 563514721 /nfs/dbraw/zinc/51/47/21/563514721.db2.gz CCINKNMYQXZSSU-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)c1nccs1 ZINC000391673839 563525225 /nfs/dbraw/zinc/52/52/25/563525225.db2.gz OELQRKZEBMXTES-JTQLQIEISA-N -2 3 390.870 2.933 20 0 GFADHL C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000285614252 563529022 /nfs/dbraw/zinc/52/90/22/563529022.db2.gz WRQOZVVQYLLWNA-DTWKUNHWSA-N -2 3 382.265 2.643 20 0 GFADHL O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1ccccc1[O-] ZINC000436592616 563674295 /nfs/dbraw/zinc/67/42/95/563674295.db2.gz WXAUGAIFDZPJLQ-UHFFFAOYSA-N -2 3 384.816 2.878 20 0 GFADHL CC1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436641398 563676142 /nfs/dbraw/zinc/67/61/42/563676142.db2.gz VLDBWZXQTABYRN-UHFFFAOYSA-N -2 3 380.853 2.938 20 0 GFADHL O=C(NCc1ccc([O-])c(F)c1)c1cc(I)ccc1[O-] ZINC000436979908 563686429 /nfs/dbraw/zinc/68/64/29/563686429.db2.gz KRZRFHYRNHYKTK-UHFFFAOYSA-N -2 3 387.148 2.772 20 0 GFADHL CCc1nnc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)s1 ZINC000290439066 563710009 /nfs/dbraw/zinc/71/00/09/563710009.db2.gz BQVCBLMJKKKISW-UHFFFAOYSA-N -2 3 396.277 2.584 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000563737223 564204805 /nfs/dbraw/zinc/20/48/05/564204805.db2.gz NXLDBQBBMQDJLA-ZETCQYMHSA-N -2 3 379.278 2.637 20 0 GFADHL CCc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)ccc1F ZINC000507579211 564233594 /nfs/dbraw/zinc/23/35/94/564233594.db2.gz CEZUPNFSASPJNT-UHFFFAOYSA-N -2 3 390.433 2.700 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCC1 ZINC000540983567 564262010 /nfs/dbraw/zinc/26/20/10/564262010.db2.gz MCDCSDQHOGKLLM-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000541909679 564294437 /nfs/dbraw/zinc/29/44/37/564294437.db2.gz HAMNZUAXLHUESZ-MGCOHNPYSA-N -2 3 394.262 2.758 20 0 GFADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c1 ZINC000509608569 564306197 /nfs/dbraw/zinc/30/61/97/564306197.db2.gz CMWQYXSHXITIKK-UHFFFAOYSA-N -2 3 389.788 2.752 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1F ZINC000509659654 564307957 /nfs/dbraw/zinc/30/79/57/564307957.db2.gz UCHKKRDXAPNWAV-UHFFFAOYSA-N -2 3 377.752 2.882 20 0 GFADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000542860125 564329872 /nfs/dbraw/zinc/32/98/72/564329872.db2.gz DDYQPMBPGPJEIF-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1 ZINC000567585074 564378554 /nfs/dbraw/zinc/37/85/54/564378554.db2.gz MZKPEEMKQXPPMA-NXEZZACHSA-N -2 3 379.525 2.798 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]Cc1ccc(OC(C)C)cc1 ZINC000567804568 564389818 /nfs/dbraw/zinc/38/98/18/564389818.db2.gz NVJLMEISOROZCL-UHFFFAOYSA-N -2 3 385.463 2.721 20 0 GFADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c3ccc(Cl)cc3)cn21 ZINC000568847099 564437027 /nfs/dbraw/zinc/43/70/27/564437027.db2.gz DUKYXDYEBKWGCV-MEBBXXQBSA-N -2 3 383.857 2.538 20 0 GFADHL O=C([O-])c1c(F)cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1F ZINC000569180877 564453018 /nfs/dbraw/zinc/45/30/18/564453018.db2.gz AWYFVOMXORDBGQ-UHFFFAOYSA-N -2 3 381.278 2.559 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000547565751 564495088 /nfs/dbraw/zinc/49/50/88/564495088.db2.gz QAYGVSSWWQKDFB-LBPRGKRZSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c(F)c1 ZINC000546973741 564476070 /nfs/dbraw/zinc/47/60/70/564476070.db2.gz YHCQYWYBCKGOFT-UHFFFAOYSA-N -2 3 380.422 2.655 20 0 GFADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000570088862 564490623 /nfs/dbraw/zinc/49/06/23/564490623.db2.gz RDRREBRKDMQPRE-BZNIZROVSA-N -2 3 393.889 2.675 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000547546486 564492742 /nfs/dbraw/zinc/49/27/42/564492742.db2.gz VPDIMUPXZOPQCI-MFKMUULPSA-N -2 3 375.830 2.512 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)ccc1C(=O)[O-] ZINC000547577528 564497448 /nfs/dbraw/zinc/49/74/48/564497448.db2.gz LISSOQUSTQSLIR-UHFFFAOYSA-N -2 3 375.233 2.874 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-] ZINC000547608415 564501464 /nfs/dbraw/zinc/50/14/64/564501464.db2.gz BQFPKLXUDAZVAW-ZDUSSCGKSA-N -2 3 388.898 2.643 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CSCC=C(C)C)C(=O)[O-])c1 ZINC000547608509 564501962 /nfs/dbraw/zinc/50/19/62/564501962.db2.gz FGFPOXRCBOWDRJ-ZDUSSCGKSA-N -2 3 393.914 2.780 20 0 GFADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)ccc1F ZINC000516985051 564519436 /nfs/dbraw/zinc/51/94/36/564519436.db2.gz BBWHTHUGXXVTPZ-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000548242634 564542367 /nfs/dbraw/zinc/54/23/67/564542367.db2.gz SRFUJPNFIVGDCH-AWEZNQCLSA-N -2 3 387.816 2.982 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccsc1 ZINC000518033642 564545016 /nfs/dbraw/zinc/54/50/16/564545016.db2.gz LGQJINAXTILPIK-JTQLQIEISA-N -2 3 380.369 2.656 20 0 GFADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000518110594 564546790 /nfs/dbraw/zinc/54/67/90/564546790.db2.gz INKSXXXJDOUWOL-PWSUYJOCSA-N -2 3 380.388 2.802 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548545366 564557904 /nfs/dbraw/zinc/55/79/04/564557904.db2.gz NCJNJAHNVGFAHH-SNVBAGLBSA-N -2 3 382.251 2.756 20 0 GFADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000548588385 564564749 /nfs/dbraw/zinc/56/47/49/564564749.db2.gz NIUGGUORXDPDRL-JTQLQIEISA-N -2 3 392.271 2.767 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000548590745 564564928 /nfs/dbraw/zinc/56/49/28/564564928.db2.gz WRKBPSFOFXXDBK-CYBMUJFWSA-N -2 3 379.450 2.704 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccsc1 ZINC000548768554 564573665 /nfs/dbraw/zinc/57/36/65/564573665.db2.gz INONNRZNQKPNHH-SECBINFHSA-N -2 3 380.369 2.656 20 0 GFADHL O=C([O-])CN(Cc1cccc(Br)c1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000573258975 564630136 /nfs/dbraw/zinc/63/01/36/564630136.db2.gz BFNZLVBAXCDCRD-UHFFFAOYSA-N -2 3 392.253 2.909 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1C(=O)[O-] ZINC000522597270 564652870 /nfs/dbraw/zinc/65/28/70/564652870.db2.gz XJCGNQLXQAMTFO-DEOSSOPVSA-N -2 3 381.475 2.681 20 0 GFADHL O=S(=O)([N-]Cc1ncccc1[O-])c1cccc(Br)c1Cl ZINC000551552562 564654514 /nfs/dbraw/zinc/65/45/14/564654514.db2.gz VPTXZHKUYPONHU-UHFFFAOYSA-N -2 3 377.647 2.682 20 0 GFADHL O=C([O-])[C@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000551593255 564657026 /nfs/dbraw/zinc/65/70/26/564657026.db2.gz ZGOKYIBZFIJYHT-AWEZNQCLSA-N -2 3 389.807 2.983 20 0 GFADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000551908821 564667723 /nfs/dbraw/zinc/66/77/23/564667723.db2.gz JPTBVVVYFVXOMC-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(Br)cc1 ZINC000551999084 564672585 /nfs/dbraw/zinc/67/25/85/564672585.db2.gz GILATSNQNPRQDP-NOZJJQNGSA-N -2 3 388.239 2.782 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000526061102 564718157 /nfs/dbraw/zinc/71/81/57/564718157.db2.gz GEWCWTHCNCFPSB-IINYFYTJSA-N -2 3 393.889 2.531 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000527052004 564727915 /nfs/dbraw/zinc/72/79/15/564727915.db2.gz WNZJONHZKJMXSQ-NEPJUHHUSA-N -2 3 393.889 2.533 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000581691899 564814851 /nfs/dbraw/zinc/81/48/51/564814851.db2.gz VKBLXXAOSXTELY-QMMMGPOBSA-N -2 3 389.779 2.670 20 0 GFADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000582179035 564834224 /nfs/dbraw/zinc/83/42/24/564834224.db2.gz GXDQOLWJIGDXQX-UHFFFAOYSA-N -2 3 394.396 2.901 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)c1nc(C)cs1 ZINC000582238962 564836961 /nfs/dbraw/zinc/83/69/61/564836961.db2.gz DNSQEQNMDZCTSK-QMMMGPOBSA-N -2 3 376.481 2.649 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCC1 ZINC000556775963 564839695 /nfs/dbraw/zinc/83/96/95/564839695.db2.gz SHUPUPJVGQHFST-UHFFFAOYSA-N -2 3 382.663 2.636 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)[C@H](C)C(=O)[O-] ZINC000582471055 564848300 /nfs/dbraw/zinc/84/83/00/564848300.db2.gz OWGJBAVJEXPLHJ-QWRGUYRKSA-N -2 3 375.874 2.906 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000530338153 564876919 /nfs/dbraw/zinc/87/69/19/564876919.db2.gz ZEOKIAYNQBSXFB-JTQLQIEISA-N -2 3 381.262 2.863 20 0 GFADHL C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000583750420 564905959 /nfs/dbraw/zinc/90/59/59/564905959.db2.gz OHHVGOZORNVDEX-VIFPVBQESA-N -2 3 377.340 2.906 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000583856494 564910195 /nfs/dbraw/zinc/91/01/95/564910195.db2.gz JMFCHTYLOAFZRY-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])s1 ZINC000584051014 564918077 /nfs/dbraw/zinc/91/80/77/564918077.db2.gz CGPGMDRALZZUOS-UKRRQHHQSA-N -2 3 380.491 2.693 20 0 GFADHL C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H](C(=O)[O-])C1 ZINC000584215644 564925823 /nfs/dbraw/zinc/92/58/23/564925823.db2.gz PXTHUFLKSXUREW-YMTOWFKASA-N -2 3 393.237 2.616 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CCC1 ZINC000663257115 565403902 /nfs/dbraw/zinc/40/39/02/565403902.db2.gz XVBBDUSRPBJVPK-JTQLQIEISA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CCC1 ZINC000663257533 565404252 /nfs/dbraw/zinc/40/42/52/565404252.db2.gz WYDFBKUJTNXQKH-VIFPVBQESA-N -2 3 385.335 2.504 20 0 GFADHL COc1cc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)ccc1Cl ZINC000663294406 565407938 /nfs/dbraw/zinc/40/79/38/565407938.db2.gz QEMSYVKZWFPBQL-QMMMGPOBSA-N -2 3 389.779 2.670 20 0 GFADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000663293496 565408082 /nfs/dbraw/zinc/40/80/82/565408082.db2.gz IGJRNDYSTNBCEH-QMMMGPOBSA-N -2 3 382.335 2.629 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000642323647 565410879 /nfs/dbraw/zinc/41/08/79/565410879.db2.gz YJQCPPNVZXHXET-UHFFFAOYSA-N -2 3 385.239 2.779 20 0 GFADHL C[C@]1([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000646039544 565583701 /nfs/dbraw/zinc/58/37/01/565583701.db2.gz UBJWROKWCVHEJU-BMIGLBTASA-N -2 3 381.372 2.739 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-])C(C)C ZINC000647130408 565640660 /nfs/dbraw/zinc/64/06/60/565640660.db2.gz YRQZHABAPSWKJS-CQSZACIVSA-N -2 3 375.512 2.975 20 0 GFADHL CCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(Br)c1O ZINC000670369822 565720281 /nfs/dbraw/zinc/72/02/81/565720281.db2.gz DELSPSRXELHMHM-ARJAWSKDSA-N -2 3 381.182 2.918 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCC1 ZINC000650419721 565819096 /nfs/dbraw/zinc/81/90/96/565819096.db2.gz OOSPIQMZKRGFOE-UHFFFAOYSA-N -2 3 387.763 2.772 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000650427501 565820273 /nfs/dbraw/zinc/82/02/73/565820273.db2.gz LANVHCXIMSGSSE-ZETCQYMHSA-N -2 3 387.763 2.770 20 0 GFADHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000629288698 565836489 /nfs/dbraw/zinc/83/64/89/565836489.db2.gz FQFPLRQNJAPWGK-ZDUSSCGKSA-N -2 3 381.372 2.960 20 0 GFADHL CCOC1(CS(=O)(=O)[N-]c2c(Cl)cc(C)cc2C(=O)[O-])CCOCC1 ZINC000629294227 565837410 /nfs/dbraw/zinc/83/74/10/565837410.db2.gz VNRSMMAVCUFTQB-UHFFFAOYSA-N -2 3 391.873 2.674 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493463 565969407 /nfs/dbraw/zinc/96/94/07/565969407.db2.gz XDRYYWPRJKXEGM-ZMLRMANQSA-N -2 3 375.874 2.762 20 0 GFADHL COc1ccc(OCCS(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000607030749 565974975 /nfs/dbraw/zinc/97/49/75/565974975.db2.gz RBOKORSESHBRAL-UHFFFAOYSA-N -2 3 385.825 2.868 20 0 GFADHL O=C([O-])CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000680997838 566090315 /nfs/dbraw/zinc/09/03/15/566090315.db2.gz UPQIKTUDGWBVHG-UHFFFAOYSA-N -2 3 382.825 2.944 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1F ZINC000681568013 566113305 /nfs/dbraw/zinc/11/33/05/566113305.db2.gz QJGCFOWIHLKOBO-CQSZACIVSA-N -2 3 377.315 2.656 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-] ZINC000656510944 566130386 /nfs/dbraw/zinc/13/03/86/566130386.db2.gz MOKLHXBUQYFUSY-JTQLQIEISA-N -2 3 394.287 2.770 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C(F)(F)F ZINC000656517436 566133466 /nfs/dbraw/zinc/13/34/66/566133466.db2.gz NETONTDSAVZCAG-MRVPVSSYSA-N -2 3 377.743 2.552 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000656724303 566158395 /nfs/dbraw/zinc/15/83/95/566158395.db2.gz FFAPEAXQUKANMG-VIFPVBQESA-N -2 3 383.800 2.721 20 0 GFADHL O=S(=O)([N-]c1nc2c(s1)CCCC2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738338156 598891532 /nfs/dbraw/zinc/89/15/32/598891532.db2.gz CSKHCPSYASEFTB-UHFFFAOYSA-N -2 3 396.885 2.656 20 0 GFADHL O=S(=O)([N-]c1nc2c(s1)CCCC2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000738338156 598891533 /nfs/dbraw/zinc/89/15/33/598891533.db2.gz CSKHCPSYASEFTB-UHFFFAOYSA-N -2 3 396.885 2.656 20 0 GFADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000736415228 598973812 /nfs/dbraw/zinc/97/38/12/598973812.db2.gz DYVSECDIYHYASY-MRXNPFEDSA-N -2 3 399.476 2.564 20 0 GFADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000736415228 598973814 /nfs/dbraw/zinc/97/38/14/598973814.db2.gz DYVSECDIYHYASY-MRXNPFEDSA-N -2 3 399.476 2.564 20 0 GFADHL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)sc2C1 ZINC000736413816 598437312 /nfs/dbraw/zinc/43/73/12/598437312.db2.gz ZQXHBCZLPZSAMV-JTQLQIEISA-N -2 3 390.494 2.639 20 0 GFADHL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC000736413816 598437313 /nfs/dbraw/zinc/43/73/13/598437313.db2.gz ZQXHBCZLPZSAMV-JTQLQIEISA-N -2 3 390.494 2.639 20 0 GFADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821049237 599623003 /nfs/dbraw/zinc/62/30/03/599623003.db2.gz JIXKGTQLNOLAIG-LLVKDONJSA-N -2 3 399.904 2.932 20 0 GFADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821049237 599623004 /nfs/dbraw/zinc/62/30/04/599623004.db2.gz JIXKGTQLNOLAIG-LLVKDONJSA-N -2 3 399.904 2.932 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000737211170 599747544 /nfs/dbraw/zinc/74/75/44/599747544.db2.gz XHPMVDAZQJPKSA-UHFFFAOYSA-N -3 3 394.405 2.699 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1C(=O)[O-] ZINC000737211138 599747592 /nfs/dbraw/zinc/74/75/92/599747592.db2.gz WNERWTYYWRTFDU-UHFFFAOYSA-N -3 3 398.368 2.813 20 0 GFADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000738359362 599768743 /nfs/dbraw/zinc/76/87/43/599768743.db2.gz RJCAMAXOBZWTTB-UHFFFAOYSA-N -3 3 393.417 2.656 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CC2)o1 ZINC000740174133 599772528 /nfs/dbraw/zinc/77/25/28/599772528.db2.gz UBICYKNLWASEFH-UHFFFAOYSA-N -2 3 386.223 2.708 20 0 GFADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000738201750 599847740 /nfs/dbraw/zinc/84/77/40/599847740.db2.gz VMTTWNBURFTRDK-INIZCTEOSA-N -2 3 389.477 2.786 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1cccc(F)c1 ZINC000739502388 599979743 /nfs/dbraw/zinc/97/97/43/599979743.db2.gz PPEULQGIXHXJOC-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737178105 600301923 /nfs/dbraw/zinc/30/19/23/600301923.db2.gz PFESZGYFPZSQMK-UHFFFAOYSA-N -2 3 394.449 2.670 20 0 GFADHL COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c2=O ZINC000738074915 600331996 /nfs/dbraw/zinc/33/19/96/600331996.db2.gz UCUXVYXEZQKKDK-UHFFFAOYSA-N -2 3 381.388 2.899 20 0 GFADHL Cc1nc(C)c(CC(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])c(=O)[n-]1 ZINC000738845898 600601934 /nfs/dbraw/zinc/60/19/34/600601934.db2.gz YVKBFXPQNLHKIR-KRWDZBQOSA-N -2 3 393.443 2.554 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccsc2)c(F)cc1Br ZINC000740086869 600633207 /nfs/dbraw/zinc/63/32/07/600633207.db2.gz BJOKESJYBJKLIM-UHFFFAOYSA-N -2 3 394.243 2.826 20 0 GFADHL CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736726542 600634637 /nfs/dbraw/zinc/63/46/37/600634637.db2.gz MQNQHAIFBOWGHO-SSDOTTSWSA-N -2 3 380.235 2.611 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)ccc1C(=O)[O-] ZINC000738477347 600893733 /nfs/dbraw/zinc/89/37/33/600893733.db2.gz WWZSJWLVQRLUGB-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832972320 601233262 /nfs/dbraw/zinc/23/32/62/601233262.db2.gz XQWNLHYAUDLLBA-LLVKDONJSA-N -2 3 385.388 2.717 20 0 GFADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C12CCCC2 ZINC000829931368 601239749 /nfs/dbraw/zinc/23/97/49/601239749.db2.gz NTNAOQUBFTVCML-OLZOCXBDSA-N -2 3 389.420 2.679 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2csc(CCc3ccccc3)n2)o1 ZINC000833323593 601261350 /nfs/dbraw/zinc/26/13/50/601261350.db2.gz POJKNWFJBAQUOL-UHFFFAOYSA-N -2 3 392.458 2.698 20 0 GFADHL COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000747605329 601320318 /nfs/dbraw/zinc/32/03/18/601320318.db2.gz ZOGWHKMDPQAHOT-WTKPLQERSA-N -2 3 379.365 2.511 20 0 GFADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000831084974 601388600 /nfs/dbraw/zinc/38/86/00/601388600.db2.gz VAFXPIJSNNXPNN-OAHLLOKOSA-N -2 3 397.836 2.539 20 0 GFADHL CSCc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000826229235 607535941 /nfs/dbraw/zinc/53/59/41/607535941.db2.gz VQLOGMBOEWNUOW-UHFFFAOYSA-N -2 3 375.479 2.839 20 0 GFADHL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)c2)o1 ZINC000826317259 607536842 /nfs/dbraw/zinc/53/68/42/607536842.db2.gz VBMJNLANAADOOT-UHFFFAOYSA-N -2 3 396.432 2.939 20 0 GFADHL O=C([O-])c1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000819188394 602238438 /nfs/dbraw/zinc/23/84/38/602238438.db2.gz OAIZWCZHAOULRT-UHFFFAOYSA-N -2 3 379.210 2.852 20 0 GFADHL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)c1 ZINC000739478170 602654449 /nfs/dbraw/zinc/65/44/49/602654449.db2.gz LFKHPHOLYDBFDW-UHFFFAOYSA-N -2 3 382.369 2.893 20 0 GFADHL O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000740516544 602992641 /nfs/dbraw/zinc/99/26/41/602992641.db2.gz KZRRRPIVGGWFTF-DZGCQCFKSA-N -2 3 388.497 2.815 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000830421452 603208479 /nfs/dbraw/zinc/20/84/79/603208479.db2.gz VTUGDYNLJGCLMJ-CYBMUJFWSA-N -2 3 391.449 2.781 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@H](C)NC(=O)[O-])cc2)cc1 ZINC000830421453 603208733 /nfs/dbraw/zinc/20/87/33/603208733.db2.gz VTUGDYNLJGCLMJ-ZDUSSCGKSA-N -2 3 391.449 2.781 20 0 GFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1C(=O)[O-] ZINC000833749149 604943981 /nfs/dbraw/zinc/94/39/81/604943981.db2.gz ACRGJUPDEFHXRA-WEVVVXLNSA-N -3 3 379.365 2.731 20 0 GFADHL Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822231023 606212342 /nfs/dbraw/zinc/21/23/42/606212342.db2.gz XWOMSMXITJLOEU-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000821589541 606752441 /nfs/dbraw/zinc/75/24/41/606752441.db2.gz SBFFMDSSANXYAT-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822240084 606865052 /nfs/dbraw/zinc/86/50/52/606865052.db2.gz RNPRFJOOCWVJOE-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822240084 606865054 /nfs/dbraw/zinc/86/50/54/606865054.db2.gz RNPRFJOOCWVJOE-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)ccc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823583294 606865517 /nfs/dbraw/zinc/86/55/17/606865517.db2.gz LMFNXGXVVWHMQB-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL O=S(=O)([N-]c1cc(Cl)ccc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823583294 606865519 /nfs/dbraw/zinc/86/55/19/606865519.db2.gz LMFNXGXVVWHMQB-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL O=S(=O)([N-]c1ccc2ncsc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589197 606867325 /nfs/dbraw/zinc/86/73/25/606867325.db2.gz SFVBAIGXOPWIQH-UHFFFAOYSA-N -2 3 394.388 2.555 20 0 GFADHL O=S(=O)([N-]c1ccc2ncsc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589197 606867327 /nfs/dbraw/zinc/86/73/27/606867327.db2.gz SFVBAIGXOPWIQH-UHFFFAOYSA-N -2 3 394.388 2.555 20 0 GFADHL Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)c2)n1 ZINC000822403918 606937764 /nfs/dbraw/zinc/93/77/64/606937764.db2.gz ZWMNNDCAOZJSFU-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)c2)n1 ZINC000822403918 606937765 /nfs/dbraw/zinc/93/77/65/606937765.db2.gz ZWMNNDCAOZJSFU-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000825480822 608293816 /nfs/dbraw/zinc/29/38/16/608293816.db2.gz MOJBCEYHHOYTAY-UHFFFAOYSA-N -2 3 378.483 2.778 20 0 GFADHL CCCCCC[C@](C)(NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000825268804 609258692 /nfs/dbraw/zinc/25/86/92/609258692.db2.gz YTJTXJKXKDBXHF-DJJJIMSYSA-N -2 3 389.456 2.564 20 0 GFADHL CCCCCC[C@](C)(NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000825268804 609258694 /nfs/dbraw/zinc/25/86/94/609258694.db2.gz YTJTXJKXKDBXHF-DJJJIMSYSA-N -2 3 389.456 2.564 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(F)(F)F ZINC000824087266 609330032 /nfs/dbraw/zinc/33/00/32/609330032.db2.gz RWRQSEYPJUYPGE-JTQLQIEISA-N -2 3 395.382 2.651 20 0 GFADHL O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492818 609460691 /nfs/dbraw/zinc/46/06/91/609460691.db2.gz FYWYEMOHMJBJQX-UHFFFAOYSA-N -2 3 390.856 2.595 20 0 GFADHL O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492818 609460693 /nfs/dbraw/zinc/46/06/93/609460693.db2.gz FYWYEMOHMJBJQX-UHFFFAOYSA-N -2 3 390.856 2.595 20 0 GFADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820848402 660308073 /nfs/dbraw/zinc/30/80/73/660308073.db2.gz XDBZEALTPXRBQT-UHFFFAOYSA-N -2 3 378.483 2.812 20 0 GFADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c1 ZINC000824024618 660384128 /nfs/dbraw/zinc/38/41/28/660384128.db2.gz MOHBKYAFCLGKIG-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000032595874 654605998 /nfs/dbraw/zinc/60/59/98/654605998.db2.gz VIFOXOPMLIFVIY-UHFFFAOYSA-N -2 3 384.479 2.648 20 0 GFADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000035038054 654610323 /nfs/dbraw/zinc/61/03/23/654610323.db2.gz YGZNSIBPWXQNCI-UHFFFAOYSA-N -2 3 390.280 2.730 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)Cc1cccs1 ZINC000185065942 655362256 /nfs/dbraw/zinc/36/22/56/655362256.db2.gz GAHOQENPVAPVRP-VIFPVBQESA-N -2 3 375.418 2.882 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000742030492 655709463 /nfs/dbraw/zinc/70/94/63/655709463.db2.gz FGAMESSRDQXRNH-UHFFFAOYSA-N -2 3 389.886 2.524 20 0 GFADHL CSCC[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761309649 656010109 /nfs/dbraw/zinc/01/01/09/656010109.db2.gz MUTCQRYXNLOMKO-LURJTMIESA-N -2 3 388.330 2.629 20 0 GFADHL O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[N-]OC/C=C/Cl ZINC000812397595 660026246 /nfs/dbraw/zinc/02/62/46/660026246.db2.gz HPMBTEUHXWRTSM-KRXBUXKQSA-N -2 3 386.882 2.892 20 0 GFADHL O=C([O-])[C@@]1([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CCSC1 ZINC000851599233 661825793 /nfs/dbraw/zinc/82/57/93/661825793.db2.gz CWHKQMZWQGNLQH-GFCCVEGCSA-N -2 3 380.210 2.617 20 0 GFADHL COc1cc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)c(Cl)cc1C(=O)[O-] ZINC000871941614 662744589 /nfs/dbraw/zinc/74/45/89/662744589.db2.gz AZZNWSIZEROQDP-ZCFIWIBFSA-N -2 3 375.752 2.666 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])sc1Br ZINC000401304572 563535483 /nfs/dbraw/zinc/53/54/83/563535483.db2.gz MEHXNDORMHSQKS-MRVPVSSYSA-N -2 3 384.317 2.987 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCSCc2ccccc2F)c1 ZINC000013310893 551109046 /nfs/dbraw/zinc/10/90/46/551109046.db2.gz LVOTWXZFVSLXHV-UHFFFAOYSA-N -2 3 375.468 2.797 20 0 GFADHL Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)nc3)c2)n1 ZINC000055601502 551173550 /nfs/dbraw/zinc/17/35/50/551173550.db2.gz RHPMAECTWICSMK-UHFFFAOYSA-N -2 3 376.825 2.595 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1F ZINC000135332014 551387265 /nfs/dbraw/zinc/38/72/65/551387265.db2.gz XCZYLFFKMAYZNG-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc(Cl)c1[O-] ZINC000172356739 551677222 /nfs/dbraw/zinc/67/72/22/551677222.db2.gz LWWGUBHQYNPEGU-UHFFFAOYSA-N -2 3 381.262 2.678 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)s1 ZINC000371908636 563291164 /nfs/dbraw/zinc/29/11/64/563291164.db2.gz FZFSBOZDAJDQHA-UHFFFAOYSA-N -2 3 378.431 2.509 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1SC ZINC000326262864 563454286 /nfs/dbraw/zinc/45/42/86/563454286.db2.gz IOLYWCLOGCWKCY-VXGBXAGGSA-N -2 3 393.914 2.999 20 0 GFADHL CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000327910784 563460148 /nfs/dbraw/zinc/46/01/48/563460148.db2.gz JXHQVTXYMXUNFF-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)[C@@H]1OCCc2sccc21 ZINC000427248696 563463502 /nfs/dbraw/zinc/46/35/02/563463502.db2.gz HKZJMQUXDHBUNX-VFZGTOFNSA-N -2 3 385.438 2.566 20 0 GFADHL CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000330588121 563512700 /nfs/dbraw/zinc/51/27/00/563512700.db2.gz MQGVJUNRIUIDHO-OLZOCXBDSA-N -2 3 392.518 2.690 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCC1 ZINC000380083764 563514786 /nfs/dbraw/zinc/51/47/86/563514786.db2.gz JNOLOFMARZQCND-UHFFFAOYSA-N -2 3 382.663 2.778 20 0 GFADHL CCOC(=O)C(=C([O-])CSc1nc(CC)cc(=O)[n-]1)c1nc(C)cs1 ZINC000436209646 563667576 /nfs/dbraw/zinc/66/75/76/563667576.db2.gz LCPUJHLVACVMHJ-CYBMUJFWSA-N -2 3 381.479 2.518 20 0 GFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000436663430 563675857 /nfs/dbraw/zinc/67/58/57/563675857.db2.gz JAZGBULJVQIEIK-UHFFFAOYSA-N -2 3 386.223 2.742 20 0 GFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000436669057 563676064 /nfs/dbraw/zinc/67/60/64/563676064.db2.gz ZJKOBBKGAAWOMK-UHFFFAOYSA-N -2 3 375.324 2.998 20 0 GFADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc(F)cc(Br)c1[O-] ZINC000436844761 563681038 /nfs/dbraw/zinc/68/10/38/563681038.db2.gz ANXTULOLQLLLPI-UHFFFAOYSA-N -2 3 378.161 2.726 20 0 GFADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc(F)cc(Br)c1[O-] ZINC000436844761 563681040 /nfs/dbraw/zinc/68/10/40/563681040.db2.gz ANXTULOLQLLLPI-UHFFFAOYSA-N -2 3 378.161 2.726 20 0 GFADHL O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc(F)cc(Br)c1[O-] ZINC000436844761 563681041 /nfs/dbraw/zinc/68/10/41/563681041.db2.gz ANXTULOLQLLLPI-UHFFFAOYSA-N -2 3 378.161 2.726 20 0 GFADHL COC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000414332244 563726904 /nfs/dbraw/zinc/72/69/04/563726904.db2.gz LGASZBWVUCSBQQ-LBPRGKRZSA-N -2 3 389.882 2.808 20 0 GFADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000564843020 564251242 /nfs/dbraw/zinc/25/12/42/564251242.db2.gz BMNQAZANMHFBBW-UHFFFAOYSA-N -2 3 395.289 2.598 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2cccc(Br)c2F)cc1C(=O)[O-] ZINC000541003315 564262894 /nfs/dbraw/zinc/26/28/94/564262894.db2.gz HVIOFXHYAYMXMR-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2cc([O-])cc(Br)c2)CCCC1 ZINC000451105821 564275766 /nfs/dbraw/zinc/27/57/66/564275766.db2.gz NPEZXNGGITZLOM-UHFFFAOYSA-N -2 3 392.271 2.630 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)F)c2)cc1C(=O)[O-] ZINC000565361699 564278167 /nfs/dbraw/zinc/27/81/67/564278167.db2.gz YMBFIGDYJVCEOE-QMMMGPOBSA-N -2 3 375.349 2.927 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)CC(C)C)c(F)c1 ZINC000451348459 564304006 /nfs/dbraw/zinc/30/40/06/564304006.db2.gz QDEAJYFRMISAOC-GFCCVEGCSA-N -2 3 380.507 2.690 20 0 GFADHL CCc1ocnc1C(=O)[N-]c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000477481046 564378881 /nfs/dbraw/zinc/37/88/81/564378881.db2.gz ZGYHVOGGQWVQSJ-UHFFFAOYSA-N -2 3 387.820 2.723 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1(c2cccc(F)c2)CC1 ZINC000567797120 564389391 /nfs/dbraw/zinc/38/93/91/564389391.db2.gz MZBPLFNBVUGOFS-UHFFFAOYSA-N -2 3 385.438 2.604 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000515029583 564466534 /nfs/dbraw/zinc/46/65/34/564466534.db2.gz WHJBDVSETKOFCR-UHFFFAOYSA-N -2 3 391.779 2.804 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1Cl ZINC000547588637 564499630 /nfs/dbraw/zinc/49/96/30/564499630.db2.gz JVJXLENKGXLPFK-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC000547608040 564501683 /nfs/dbraw/zinc/50/16/83/564501683.db2.gz HDWJPXIDJJEQCP-ZDUSSCGKSA-N -2 3 388.898 2.643 20 0 GFADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000547608729 564501953 /nfs/dbraw/zinc/50/19/53/564501953.db2.gz KWWSTPBYHOSHMF-UHFFFAOYSA-N -2 3 385.239 2.839 20 0 GFADHL CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000516767541 564511407 /nfs/dbraw/zinc/51/14/07/564511407.db2.gz ULKHLHYRXKTMFF-LBPRGKRZSA-N -2 3 380.507 2.690 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000547879572 564515048 /nfs/dbraw/zinc/51/50/48/564515048.db2.gz VUIOYTJYNMBECC-SNVBAGLBSA-N -2 3 389.260 2.610 20 0 GFADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000547888811 564516616 /nfs/dbraw/zinc/51/66/16/564516616.db2.gz BNVBZHNCFVPCHL-UHFFFAOYSA-N -2 3 383.809 2.555 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1Cl ZINC000547889674 564516999 /nfs/dbraw/zinc/51/69/99/564516999.db2.gz QDMGXQVYAZBVGC-TZMCWYRMSA-N -2 3 382.265 2.924 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000547897626 564517711 /nfs/dbraw/zinc/51/77/11/564517711.db2.gz ZWGSHFSKIDRYBD-SNVBAGLBSA-N -2 3 382.251 2.756 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000547933693 564522961 /nfs/dbraw/zinc/52/29/61/564522961.db2.gz VREGCBDUWPTIHZ-LBPRGKRZSA-N -2 3 375.855 2.823 20 0 GFADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000547937156 564523675 /nfs/dbraw/zinc/52/36/75/564523675.db2.gz WJHWYGAKSTUQLJ-AWEZNQCLSA-N -2 3 375.780 2.592 20 0 GFADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(=O)[O-] ZINC000548260278 564544463 /nfs/dbraw/zinc/54/44/63/564544463.db2.gz ALDXMQPDWHULKY-MFKMUULPSA-N -2 3 391.873 2.684 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(Cl)c1 ZINC000548264506 564545558 /nfs/dbraw/zinc/54/55/58/564545558.db2.gz NBOKNTYJQBGTKO-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])s1 ZINC000548545443 564557681 /nfs/dbraw/zinc/55/76/81/564557681.db2.gz PJMBLXOTNQLHAQ-VIFPVBQESA-N -2 3 384.317 2.987 20 0 GFADHL COc1ccc(Br)c(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])c1 ZINC000548543204 564557761 /nfs/dbraw/zinc/55/77/61/564557761.db2.gz LHPAFSBYTZGMTF-UHFFFAOYSA-N -2 3 394.287 2.627 20 0 GFADHL Cc1cc(CS(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])on1 ZINC000548554448 564559501 /nfs/dbraw/zinc/55/95/01/564559501.db2.gz OSAWGGKTIZJGQT-UHFFFAOYSA-N -2 3 389.227 2.694 20 0 GFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000548592498 564565857 /nfs/dbraw/zinc/56/58/57/564565857.db2.gz NEOYKSJFWFAVQZ-CQSZACIVSA-N -2 3 389.807 2.901 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)sc1Br ZINC000519348487 564575195 /nfs/dbraw/zinc/57/51/95/564575195.db2.gz UCJCZNVEWAGTRA-XCBNKYQSSA-N -2 3 382.301 2.597 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCC1 ZINC000548837194 564577734 /nfs/dbraw/zinc/57/77/34/564577734.db2.gz OZSWDEFBTHIBHO-UHFFFAOYSA-N -2 3 382.663 2.778 20 0 GFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000572458894 564595115 /nfs/dbraw/zinc/59/51/15/564595115.db2.gz OLQUTDGXMRNCTM-MRVPVSSYSA-N -2 3 384.679 2.738 20 0 GFADHL Cn1cnc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC000574960153 564689834 /nfs/dbraw/zinc/68/98/34/564689834.db2.gz JOLDTDHNYHWJCN-GFCCVEGCSA-N -2 3 392.264 2.611 20 0 GFADHL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1OC ZINC000575336386 564696277 /nfs/dbraw/zinc/69/62/77/564696277.db2.gz GCOUZVPFYRKIQF-UHFFFAOYSA-N -2 3 389.788 2.781 20 0 GFADHL COC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000580427563 564758437 /nfs/dbraw/zinc/75/84/37/564758437.db2.gz CTAXMOIKPPQHRE-LBPRGKRZSA-N -2 3 391.417 2.699 20 0 GFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000555581550 564798629 /nfs/dbraw/zinc/79/86/29/564798629.db2.gz RNTCKVLJPOYAHH-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000581660642 564812928 /nfs/dbraw/zinc/81/29/28/564812928.db2.gz JGBDQTUOLZNYDK-ZJUUUORDSA-N -2 3 383.388 2.985 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCOc2ccc(C(F)(F)F)cc2)c1 ZINC000556262613 564815980 /nfs/dbraw/zinc/81/59/80/564815980.db2.gz YMXKESZQHIHFJG-UHFFFAOYSA-N -2 3 395.380 2.822 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])c(F)cc1Br ZINC000582228803 564835910 /nfs/dbraw/zinc/83/59/10/564835910.db2.gz PDDUWPNOYZNJIO-NXEZZACHSA-N -2 3 394.262 2.676 20 0 GFADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000530526319 564885522 /nfs/dbraw/zinc/88/55/22/564885522.db2.gz GLVPQGHRLVIBQK-NSHDSACASA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1Cl ZINC000530530965 564886285 /nfs/dbraw/zinc/88/62/85/564886285.db2.gz YTNKOZLKMSZWEX-GFCCVEGCSA-N -2 3 394.758 2.858 20 0 GFADHL O=C(CNC(=O)c1ccc([O-])cc1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000530895768 564897344 /nfs/dbraw/zinc/89/73/44/564897344.db2.gz AGTBCEHWBFCXGZ-UHFFFAOYSA-N -2 3 399.628 2.882 20 0 GFADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-])C1CC1 ZINC000558686656 564911196 /nfs/dbraw/zinc/91/11/96/564911196.db2.gz VNRFKKMUOISCAT-JMCQJSRRSA-N -2 3 396.690 2.880 20 0 GFADHL COc1ccc(F)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000532038280 564926785 /nfs/dbraw/zinc/92/67/85/564926785.db2.gz RJUACYCITIEHPU-UHFFFAOYSA-N -2 3 389.788 2.752 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c(F)c1 ZINC000560380360 564959227 /nfs/dbraw/zinc/95/92/27/564959227.db2.gz KPSIJDBPHVGOCZ-HNNXBMFYSA-N -2 3 387.816 2.900 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000563069990 565054775 /nfs/dbraw/zinc/05/47/75/565054775.db2.gz RJYTXMIPJPXWAN-SMDDNHRTSA-N -2 3 389.788 2.579 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccsc1 ZINC000584326528 565076229 /nfs/dbraw/zinc/07/62/29/565076229.db2.gz JVZBOQMVFLKWGE-QMMMGPOBSA-N -2 3 380.241 2.598 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)cc1Cl ZINC000663255381 565403950 /nfs/dbraw/zinc/40/39/50/565403950.db2.gz QUTXZHAXSMNZOR-SECBINFHSA-N -2 3 382.265 2.781 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CCC1 ZINC000663257532 565404506 /nfs/dbraw/zinc/40/45/06/565404506.db2.gz WYDFBKUJTNXQKH-SECBINFHSA-N -2 3 385.335 2.504 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C(C)(C)C1(F)F ZINC000663427880 565420292 /nfs/dbraw/zinc/42/02/92/565420292.db2.gz ZRIDBSLCWQDAIL-SNVBAGLBSA-N -2 3 383.800 2.616 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1)c1nc(C(F)(F)F)cs1 ZINC000645988447 565580159 /nfs/dbraw/zinc/58/01/59/565580159.db2.gz HICZGRIYNGJVCQ-QMMMGPOBSA-N -2 3 395.384 2.685 20 0 GFADHL O=C(N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)c1cc([O-])ccc1Cl ZINC000645984892 565580696 /nfs/dbraw/zinc/58/06/96/565580696.db2.gz PBFDGEDQQIWOSQ-ZDUSSCGKSA-N -2 3 382.182 2.871 20 0 GFADHL O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cc([O-])ccc1Cl ZINC000645984892 565580701 /nfs/dbraw/zinc/58/07/01/565580701.db2.gz PBFDGEDQQIWOSQ-ZDUSSCGKSA-N -2 3 382.182 2.871 20 0 GFADHL C[C@@]1([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000646039546 565584185 /nfs/dbraw/zinc/58/41/85/565584185.db2.gz UBJWROKWCVHEJU-MEBBXXQBSA-N -2 3 381.372 2.739 20 0 GFADHL Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-] ZINC000650231385 565808817 /nfs/dbraw/zinc/80/88/17/565808817.db2.gz NCYNNBRGVLOHIX-SECBINFHSA-N -2 3 384.317 2.844 20 0 GFADHL COC1(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C(=O)[O-])CCC1 ZINC000650431927 565821461 /nfs/dbraw/zinc/82/14/61/565821461.db2.gz HSEVPPNZPMJCRF-GFCCVEGCSA-N -2 3 382.265 2.684 20 0 GFADHL CCOC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])c(Cl)cc2C)CCOCC1 ZINC000629306179 565840628 /nfs/dbraw/zinc/84/06/28/565840628.db2.gz UECLFLBIPVVAHZ-UHFFFAOYSA-N -2 3 391.873 2.674 20 0 GFADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000630434114 565901256 /nfs/dbraw/zinc/90/12/56/565901256.db2.gz HLDMFUVOMMNPKL-KYZUINATSA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000630434309 565901588 /nfs/dbraw/zinc/90/15/88/565901588.db2.gz OOZLUEGYMLLGJB-KYZUINATSA-N -2 3 385.335 2.646 20 0 GFADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-])C1CC1 ZINC000656168210 566108661 /nfs/dbraw/zinc/10/86/61/566108661.db2.gz OQQSXCWHAIYUDF-NWDGAFQWSA-N -2 3 382.265 2.540 20 0 GFADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-])C1CC1 ZINC000656169848 566109306 /nfs/dbraw/zinc/10/93/06/566109306.db2.gz RVQWGNPZWUITDP-OLZOCXBDSA-N -2 3 382.265 2.540 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-] ZINC000656510485 566130546 /nfs/dbraw/zinc/13/05/46/566130546.db2.gz GDSFTIQLTYUGEO-UHFFFAOYSA-N -2 3 394.287 2.627 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000656724294 566158310 /nfs/dbraw/zinc/15/83/10/566158310.db2.gz FFAPEAXQUKANMG-SECBINFHSA-N -2 3 383.800 2.721 20 0 GFADHL O=S(=O)([N-]c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341722 598842138 /nfs/dbraw/zinc/84/21/38/598842138.db2.gz KOIONVVJBMSPJI-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341722 598842139 /nfs/dbraw/zinc/84/21/39/598842139.db2.gz KOIONVVJBMSPJI-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735642836 598844699 /nfs/dbraw/zinc/84/46/99/598844699.db2.gz HVXKGQYPRRGDBQ-UHFFFAOYSA-N -2 3 391.428 2.984 20 0 GFADHL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735642836 598844700 /nfs/dbraw/zinc/84/47/00/598844700.db2.gz HVXKGQYPRRGDBQ-UHFFFAOYSA-N -2 3 391.428 2.984 20 0 GFADHL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737047715 598946731 /nfs/dbraw/zinc/94/67/31/598946731.db2.gz RQSAMYITDTXUDO-UHFFFAOYSA-N -2 3 393.856 2.946 20 0 GFADHL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737047715 598946732 /nfs/dbraw/zinc/94/67/32/598946732.db2.gz RQSAMYITDTXUDO-UHFFFAOYSA-N -2 3 393.856 2.946 20 0 GFADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000739928503 599744269 /nfs/dbraw/zinc/74/42/69/599744269.db2.gz UVUAZILOSFNDPK-VIFPVBQESA-N -2 3 397.678 2.523 20 0 GFADHL O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000823589203 599308466 /nfs/dbraw/zinc/30/84/66/599308466.db2.gz SNTKIVHEEZMJTR-UHFFFAOYSA-N -2 3 383.355 2.772 20 0 GFADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC ZINC000736700018 599382090 /nfs/dbraw/zinc/38/20/90/599382090.db2.gz RVNJWRXPDYHVIT-UHFFFAOYSA-N -2 3 387.465 2.801 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1cccc(F)c1 ZINC000739502954 599980320 /nfs/dbraw/zinc/98/03/20/599980320.db2.gz RIVNDPNZMFUUSP-JTQLQIEISA-N -2 3 377.846 2.762 20 0 GFADHL COc1ccc(-c2cc3[n-]c(CN(CC(=O)[O-])C(C)C)nc(=O)c3s2)cc1 ZINC000737909925 600088698 /nfs/dbraw/zinc/08/86/98/600088698.db2.gz NGGIHMILHIXKIN-UHFFFAOYSA-N -2 3 387.461 2.955 20 0 GFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)cc1 ZINC000740240914 600256721 /nfs/dbraw/zinc/25/67/21/600256721.db2.gz MLLHOSVSDYYIBL-UHFFFAOYSA-N -2 3 391.445 2.991 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nccn3c2)ccc1Br ZINC000740089214 600513147 /nfs/dbraw/zinc/51/31/47/600513147.db2.gz AZTDZKIAIMQRFG-UHFFFAOYSA-N -2 3 396.222 2.596 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000523186408 600544065 /nfs/dbraw/zinc/54/40/65/600544065.db2.gz DQJYDMNIAYIYJY-UHFFFAOYSA-N -3 3 379.390 2.509 20 0 GFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738463465 600637812 /nfs/dbraw/zinc/63/78/12/600637812.db2.gz FVEHQLITQREWDG-UHFFFAOYSA-N -3 3 385.781 2.551 20 0 GFADHL COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1F ZINC000066587894 600814160 /nfs/dbraw/zinc/81/41/60/600814160.db2.gz GXNRWAGDJXFWSV-UHFFFAOYSA-N -2 3 382.369 2.811 20 0 GFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1 ZINC000740075314 600886375 /nfs/dbraw/zinc/88/63/75/600886375.db2.gz JPBUAQDQBXCXAK-UHFFFAOYSA-N -2 3 396.852 2.676 20 0 GFADHL CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000827163963 600978691 /nfs/dbraw/zinc/97/86/91/600978691.db2.gz HWYBAPZDANMHFA-UHFFFAOYSA-N -2 3 388.449 2.882 20 0 GFADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000829202323 601214440 /nfs/dbraw/zinc/21/44/40/601214440.db2.gz MAKUWEHIJPRHON-CQSZACIVSA-N -2 3 398.264 2.702 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)ccc1F ZINC000738512200 601320453 /nfs/dbraw/zinc/32/04/53/601320453.db2.gz WNKMFLZIEWTDJI-UHFFFAOYSA-N -2 3 393.396 2.609 20 0 GFADHL COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000747617124 601334230 /nfs/dbraw/zinc/33/42/30/601334230.db2.gz RKSGTUOBFABZPL-POHAHGRESA-N -2 3 375.402 2.680 20 0 GFADHL O=C([O-])c1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000833312765 601383651 /nfs/dbraw/zinc/38/36/51/601383651.db2.gz ZBDRCUGSIRBVIP-UHFFFAOYSA-N -2 3 383.141 2.947 20 0 GFADHL C/C(=C\COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000825758524 601415627 /nfs/dbraw/zinc/41/56/27/601415627.db2.gz KXOMKOOZQZVGRX-BJRSVTDJSA-N -2 3 383.400 2.828 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000832915015 601446646 /nfs/dbraw/zinc/44/66/46/601446646.db2.gz AXHJRJCEHNFOTF-UHFFFAOYSA-N -2 3 381.743 2.987 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000827761046 601842535 /nfs/dbraw/zinc/84/25/35/601842535.db2.gz RQXVZHMUMVLASW-MRVPVSSYSA-N -2 3 387.845 2.758 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cc(C(=O)[O-])c1F ZINC000832904431 601984916 /nfs/dbraw/zinc/98/49/16/601984916.db2.gz NCFVOYBXKXWDAE-UHFFFAOYSA-N -3 3 382.369 2.747 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c(Cl)n1 ZINC000832419127 602107005 /nfs/dbraw/zinc/10/70/05/602107005.db2.gz BMQHPHQFGNGMRX-UHFFFAOYSA-N -2 3 377.205 2.896 20 0 GFADHL C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329811 602147985 /nfs/dbraw/zinc/14/79/85/602147985.db2.gz JUOIJZMOQDTUHB-BDAKNGLRSA-N -2 3 380.260 2.845 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(F)(F)F)ccc1F ZINC000833302655 602214737 /nfs/dbraw/zinc/21/47/37/602214737.db2.gz WFJAGGAKCIGNPV-AWEZNQCLSA-N -2 3 391.342 2.976 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739039206 602315418 /nfs/dbraw/zinc/31/54/18/602315418.db2.gz NMLOTKMQJSHSFE-VHSXEESVSA-N -2 3 398.378 2.901 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCOc2ccc3ccccc3c2)o1 ZINC000833323450 602327052 /nfs/dbraw/zinc/32/70/52/602327052.db2.gz SOBRQQUFWPQGGI-UHFFFAOYSA-N -2 3 375.402 2.878 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)c(C)c1 ZINC000739791630 602652996 /nfs/dbraw/zinc/65/29/96/602652996.db2.gz IDXDYQRTQAABHY-UHFFFAOYSA-N -2 3 382.369 2.811 20 0 GFADHL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000829188568 602806455 /nfs/dbraw/zinc/80/64/55/602806455.db2.gz WQSPAIQCYJLBSE-UHFFFAOYSA-N -2 3 388.771 2.871 20 0 GFADHL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000829188568 602806460 /nfs/dbraw/zinc/80/64/60/602806460.db2.gz WQSPAIQCYJLBSE-UHFFFAOYSA-N -2 3 388.771 2.871 20 0 GFADHL O=C([O-])C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Br)c1 ZINC000833772616 604785246 /nfs/dbraw/zinc/78/52/46/604785246.db2.gz FLLGUEOJKDJANS-ZDUSSCGKSA-N -2 3 380.194 2.806 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1NC(C)=O ZINC000438795167 604990260 /nfs/dbraw/zinc/99/02/60/604990260.db2.gz OKHBLBVZLRKTFS-UHFFFAOYSA-N -2 3 398.824 2.806 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000833733552 605240439 /nfs/dbraw/zinc/24/04/39/605240439.db2.gz KFOCOBFINONVLP-UHFFFAOYSA-N -3 3 391.323 2.919 20 0 GFADHL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822436425 607155959 /nfs/dbraw/zinc/15/59/59/607155959.db2.gz LXAFDKBWGREQJJ-UHFFFAOYSA-N -2 3 378.483 2.631 20 0 GFADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000820524874 607220024 /nfs/dbraw/zinc/22/00/24/607220024.db2.gz BMUPDIDZRFIDSJ-VIFPVBQESA-N -2 3 382.405 2.703 20 0 GFADHL O=S(=O)([N-]c1ccc(C2CC2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826492697 608220518 /nfs/dbraw/zinc/22/05/18/608220518.db2.gz YOUAVWOBOFFDQR-UHFFFAOYSA-N -2 3 377.376 2.823 20 0 GFADHL O=S(=O)([N-]c1ccc(C2CC2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826492697 608220520 /nfs/dbraw/zinc/22/05/20/608220520.db2.gz YOUAVWOBOFFDQR-UHFFFAOYSA-N -2 3 377.376 2.823 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000826289384 608227852 /nfs/dbraw/zinc/22/78/52/608227852.db2.gz XXNZSNHPZKZWMV-UHFFFAOYSA-N -2 3 395.876 2.581 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c1 ZINC000826289050 608233738 /nfs/dbraw/zinc/23/37/38/608233738.db2.gz IIRARYZTPYGNNS-UHFFFAOYSA-N -2 3 392.872 2.695 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)o1 ZINC000826292657 608293337 /nfs/dbraw/zinc/29/33/37/608293337.db2.gz GFLIQGMHAUOBHT-UHFFFAOYSA-N -2 3 398.404 2.756 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)o1 ZINC000826292657 608293339 /nfs/dbraw/zinc/29/33/39/608293339.db2.gz GFLIQGMHAUOBHT-UHFFFAOYSA-N -2 3 398.404 2.756 20 0 GFADHL Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826350330 608307218 /nfs/dbraw/zinc/30/72/18/608307218.db2.gz RBRCNCGAIHMNJX-UHFFFAOYSA-N -2 3 395.857 2.567 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000825332522 608527564 /nfs/dbraw/zinc/52/75/64/608527564.db2.gz HKTSNOZNCQCBBD-UHFFFAOYSA-N -2 3 393.860 2.538 20 0 GFADHL CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826230201 608583357 /nfs/dbraw/zinc/58/33/57/608583357.db2.gz IUCNGDORLOKYAM-UHFFFAOYSA-N -2 3 379.442 2.837 20 0 GFADHL CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826230201 608583359 /nfs/dbraw/zinc/58/33/59/608583359.db2.gz IUCNGDORLOKYAM-UHFFFAOYSA-N -2 3 379.442 2.837 20 0 GFADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2ccno2)cccc1-c1nn[n-]n1 ZINC000826242965 609455243 /nfs/dbraw/zinc/45/52/43/609455243.db2.gz NXAPEOCVJNPMAO-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000824333515 609524994 /nfs/dbraw/zinc/52/49/94/609524994.db2.gz LALFQHCQVFJEDG-UHFFFAOYSA-N -2 3 394.844 2.503 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000824333515 609524996 /nfs/dbraw/zinc/52/49/96/609524996.db2.gz LALFQHCQVFJEDG-UHFFFAOYSA-N -2 3 394.844 2.503 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)c(C)c1Cl ZINC000819089224 660246080 /nfs/dbraw/zinc/24/60/80/660246080.db2.gz IFNPEUPBTJBKNC-IUCAKERBSA-N -2 3 397.902 2.520 20 0 GFADHL COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc(C(=O)[O-])c1OC ZINC000045946985 654672710 /nfs/dbraw/zinc/67/27/10/654672710.db2.gz FNOHFJPOLULHOE-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-][N-]C(=O)c1ccc2ccccc2n1 ZINC000055546240 654776206 /nfs/dbraw/zinc/77/62/06/654776206.db2.gz QWMLYZPLHIATAY-UHFFFAOYSA-N -2 3 375.837 2.820 20 0 GFADHL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216310 654957778 /nfs/dbraw/zinc/95/77/78/654957778.db2.gz NWTSJTZKQHZPOL-UHFFFAOYSA-N -2 3 382.850 2.746 20 0 GFADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000189413889 655386316 /nfs/dbraw/zinc/38/63/16/655386316.db2.gz MNKJOIIXKDPFHD-IUCAKERBSA-N -2 3 380.260 2.987 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])CCCC1 ZINC000578183244 655473497 /nfs/dbraw/zinc/47/34/97/655473497.db2.gz WPEBZVRCGQQABU-UHFFFAOYSA-N -2 3 375.830 2.513 20 0 GFADHL CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000840891028 661199422 /nfs/dbraw/zinc/19/94/22/661199422.db2.gz UGCSMEDSDIMIRV-RKDXNWHRSA-N -2 3 380.260 2.845 20 0 GFADHL COC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCCC1 ZINC000840892130 661200314 /nfs/dbraw/zinc/20/03/14/661200314.db2.gz VLHBGEUETRNMJC-UHFFFAOYSA-N -2 3 382.265 2.929 20 0 GFADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776453728 656743690 /nfs/dbraw/zinc/74/36/90/656743690.db2.gz MEJKCEFNQACEPI-NSHDSACASA-N -2 3 389.260 2.753 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])c(Cl)cc1Cl ZINC000776633588 656772272 /nfs/dbraw/zinc/77/22/72/656772272.db2.gz QTNRFHWHXLIFGS-MRVPVSSYSA-N -2 3 398.264 2.559 20 0 GFADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000776632831 656772291 /nfs/dbraw/zinc/77/22/91/656772291.db2.gz BSDRKHZEHWNYMR-MRVPVSSYSA-N -2 3 398.250 2.519 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)CC1CCCC1 ZINC000806637092 659838360 /nfs/dbraw/zinc/83/83/60/659838360.db2.gz XIBKILOYNJOMKI-LLVKDONJSA-N -2 3 380.388 2.660 20 0 GFADHL CSc1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC000852735868 661872927 /nfs/dbraw/zinc/87/29/27/661872927.db2.gz KCOUFMZEAQUUGU-QWHCGFSZSA-N -2 3 376.400 2.505 20 0 GFADHL CC(C)OC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000863417399 662329088 /nfs/dbraw/zinc/32/90/88/662329088.db2.gz VHTOSDZRXYMHOA-JTQLQIEISA-N -2 3 389.779 2.515 20 0 GFADHL C[C@](CC(=O)[O-])(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000864199301 662360141 /nfs/dbraw/zinc/36/01/41/662360141.db2.gz FEIWHCGAMUNGEB-QGZVFWFLSA-N -2 3 393.237 2.664 20 0 GFADHL CCO[C@H]1C[C@@](NC(=O)c2cc([O-])cc(Br)c2)(C(=O)[O-])C1(C)C ZINC000909600155 664164616 /nfs/dbraw/zinc/16/46/16/664164616.db2.gz FAVSXZBXXFWBDE-BLLLJJGKSA-N -2 3 386.242 2.543 20 0 GFADHL O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000909763451 664173676 /nfs/dbraw/zinc/17/36/76/664173676.db2.gz UQZRHGJEPLICJN-GFCCVEGCSA-N -2 3 382.132 2.634 20 0 GFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182916405 552295610 /nfs/dbraw/zinc/29/56/10/552295610.db2.gz NNDKWGNCAAATMF-UHFFFAOYSA-N -2 3 384.255 2.829 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCC1 ZINC000230099656 553064196 /nfs/dbraw/zinc/06/41/96/553064196.db2.gz CUBZDWMMEGMQHO-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL CC[C@@H](C)[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000237052025 553074246 /nfs/dbraw/zinc/07/42/46/553074246.db2.gz DTKQHHCRCGJIEP-XLKFXECMSA-N -2 3 381.226 2.520 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)c1 ZINC000237963787 553084882 /nfs/dbraw/zinc/08/48/82/553084882.db2.gz DHKFAMPZADUGHO-GFCCVEGCSA-N -2 3 386.520 2.623 20 0 GFADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c1 ZINC000371368477 563275550 /nfs/dbraw/zinc/27/55/50/563275550.db2.gz HFEXIZTUMZUDEB-UHFFFAOYSA-N -2 3 378.797 2.624 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)[C@H]1CCOC2(CCC2)C1 ZINC000372262455 563300520 /nfs/dbraw/zinc/30/05/20/563300520.db2.gz QWZXILXJVYFAAZ-HZMBPMFUSA-N -2 3 391.848 2.560 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H]1CCOC2(CCC2)C1 ZINC000372259953 563300637 /nfs/dbraw/zinc/30/06/37/563300637.db2.gz DZIFGBPKEXXKTO-IINYFYTJSA-N -2 3 391.848 2.560 20 0 GFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000314574045 563439081 /nfs/dbraw/zinc/43/90/81/563439081.db2.gz VGSUUNSBBCXCJL-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000322785082 563449719 /nfs/dbraw/zinc/44/97/19/563449719.db2.gz KAZOYUNYRHJRSA-UHFFFAOYSA-N -2 3 396.222 2.824 20 0 GFADHL COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)c(Br)c1[O-] ZINC000426813100 563455672 /nfs/dbraw/zinc/45/56/72/563455672.db2.gz VBGOWHSAHXDXMR-CQSZACIVSA-N -2 3 382.210 2.784 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1c(C)noc1C ZINC000327213381 563457055 /nfs/dbraw/zinc/45/70/55/563457055.db2.gz GPSGFQGPDYGUPW-QMMMGPOBSA-N -2 3 388.829 2.691 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000391882636 563525154 /nfs/dbraw/zinc/52/51/54/563525154.db2.gz LVDJCUMZQCCDOY-ZDUSSCGKSA-N -2 3 390.244 2.673 20 0 GFADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-] ZINC000401304983 563535290 /nfs/dbraw/zinc/53/52/90/563535290.db2.gz GMIJHFUNIUFSQF-SNVBAGLBSA-N -2 3 394.287 2.625 20 0 GFADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc(Br)c1O ZINC000436818127 563680235 /nfs/dbraw/zinc/68/02/35/563680235.db2.gz UNSBKHKJDUVBRB-ARJAWSKDSA-N -2 3 395.209 2.765 20 0 GFADHL COc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1[N-]S(C)(=O)=O ZINC000437008019 563688365 /nfs/dbraw/zinc/68/83/65/563688365.db2.gz YWXAARRZEBQGIT-UHFFFAOYSA-N -2 3 388.804 2.817 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1)C(F)F ZINC000414321383 563726346 /nfs/dbraw/zinc/72/63/46/563726346.db2.gz DVMBAIYIFHASQG-SNVBAGLBSA-N -2 3 386.214 2.778 20 0 GFADHL O=S(=O)([N-]Cc1nc(-c2ccc([O-])cc2F)no1)c1ccc(Cl)s1 ZINC000445454734 563849889 /nfs/dbraw/zinc/84/98/89/563849889.db2.gz HQAMUQWBTWUSGR-UHFFFAOYSA-N -2 3 389.817 2.775 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000563527500 564195103 /nfs/dbraw/zinc/19/51/03/564195103.db2.gz MUSDTTXEENBWCB-FZMZJTMJSA-N -2 3 383.800 2.863 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c1 ZINC000539398024 564218606 /nfs/dbraw/zinc/21/86/06/564218606.db2.gz YLXZALRPKXQDQY-UHFFFAOYSA-N -2 3 377.340 2.985 20 0 GFADHL Cc1cc(Br)c([O-])c(NC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC000539802289 564228479 /nfs/dbraw/zinc/22/84/79/564228479.db2.gz SVLFUSXVCSULCC-UHFFFAOYSA-N -2 3 379.210 2.537 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000564919622 564257200 /nfs/dbraw/zinc/25/72/00/564257200.db2.gz VLYKNKUKCHZAFS-UKRRQHHQSA-N -2 3 385.825 2.748 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(C)(CC)CC)c(F)c1 ZINC000451190644 564285250 /nfs/dbraw/zinc/28/52/50/564285250.db2.gz YDFZLGGAEJYKKW-UHFFFAOYSA-N -2 3 380.507 2.834 20 0 GFADHL C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000565772779 564295181 /nfs/dbraw/zinc/29/51/81/564295181.db2.gz QEYOURGYNJSXAO-VIFPVBQESA-N -2 3 377.340 2.906 20 0 GFADHL CCn1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1C(=O)[O-] ZINC000509385222 564295879 /nfs/dbraw/zinc/29/58/79/564295879.db2.gz HFEMALLGCBUUTE-UHFFFAOYSA-N -2 3 378.328 2.748 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCCC1 ZINC000568343582 564414786 /nfs/dbraw/zinc/41/47/86/564414786.db2.gz VWYOCESWUFGQEQ-UHFFFAOYSA-N -2 3 380.388 2.804 20 0 GFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000568753873 564433120 /nfs/dbraw/zinc/43/31/20/564433120.db2.gz FMQOGZCLFGXCKC-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000569358011 564460364 /nfs/dbraw/zinc/46/03/64/564460364.db2.gz BYANANZTAULUJZ-ZETCQYMHSA-N -2 3 375.497 2.635 20 0 GFADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccc1F ZINC000515473781 564480034 /nfs/dbraw/zinc/48/00/34/564480034.db2.gz BRXFSKNPMASYED-UHFFFAOYSA-N -2 3 394.396 2.936 20 0 GFADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000570088865 564490781 /nfs/dbraw/zinc/49/07/81/564490781.db2.gz RDRREBRKDMQPRE-ZBEGNZNMSA-N -2 3 393.889 2.675 20 0 GFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547561629 564493930 /nfs/dbraw/zinc/49/39/30/564493930.db2.gz BAAVKRPJVFYVPX-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000570270882 564499291 /nfs/dbraw/zinc/49/92/91/564499291.db2.gz PIHDQKMWCOJISD-MNOVXSKESA-N -2 3 381.372 2.739 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(=O)[O-])c1 ZINC000547702005 564507878 /nfs/dbraw/zinc/50/78/78/564507878.db2.gz RMKLHPPVNJKHLG-HNNXBMFYSA-N -2 3 383.853 2.713 20 0 GFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000570776229 564520279 /nfs/dbraw/zinc/52/02/79/564520279.db2.gz CZFHWAAJTDEYPU-SNVBAGLBSA-N -2 3 387.351 2.892 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547938058 564523792 /nfs/dbraw/zinc/52/37/92/564523792.db2.gz LUQCIYVWGWDMOT-NWDGAFQWSA-N -2 3 391.287 2.546 20 0 GFADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])cc1Cl ZINC000548214347 564537391 /nfs/dbraw/zinc/53/73/91/564537391.db2.gz TXKOQIQVJHVICV-UHFFFAOYSA-N -2 3 394.852 2.607 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccc(OC)cc2)s1 ZINC000548213126 564537716 /nfs/dbraw/zinc/53/77/16/564537716.db2.gz LULDHOJHNFZHCB-ZDUSSCGKSA-N -2 3 384.479 2.599 20 0 GFADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000548260896 564544563 /nfs/dbraw/zinc/54/45/63/564544563.db2.gz VXHIJEYJEBFECR-LBPRGKRZSA-N -2 3 394.287 2.625 20 0 GFADHL Cc1nc(CCC[N-]S(=O)(=O)c2cc(C)c(F)cc2F)sc1C(=O)[O-] ZINC000548529902 564556657 /nfs/dbraw/zinc/55/66/57/564556657.db2.gz OPIPFGPJSOOUIN-UHFFFAOYSA-N -2 3 390.433 2.647 20 0 GFADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-])C1CC1 ZINC000548867585 564578585 /nfs/dbraw/zinc/57/85/85/564578585.db2.gz PTPWCVFAVFAASW-MADCSZMMSA-N -2 3 396.690 2.880 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000572834919 564611991 /nfs/dbraw/zinc/61/19/91/564611991.db2.gz HWTAFIXNYVRMLO-PRHODGIISA-N -2 3 382.251 2.612 20 0 GFADHL C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(Br)cc1 ZINC000551999087 564672428 /nfs/dbraw/zinc/67/24/28/564672428.db2.gz GILATSNQNPRQDP-ZANVPECISA-N -2 3 388.239 2.782 20 0 GFADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1ccccc1OC1CCCC1 ZINC000574914810 564689044 /nfs/dbraw/zinc/68/90/44/564689044.db2.gz LKPBURLSLVUDHI-UHFFFAOYSA-N -2 3 382.463 2.641 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(=O)[O-] ZINC000576223097 564708235 /nfs/dbraw/zinc/70/82/35/564708235.db2.gz VZVBXVIYEXWWJL-SNVBAGLBSA-N -2 3 398.359 2.714 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000526061103 564718082 /nfs/dbraw/zinc/71/80/82/564718082.db2.gz GEWCWTHCNCFPSB-QMTHXVAHSA-N -2 3 393.889 2.531 20 0 GFADHL C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000580712696 564770377 /nfs/dbraw/zinc/77/03/77/564770377.db2.gz OAOQDERTDKCCLT-MRVPVSSYSA-N -2 3 394.396 2.770 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000460767910 564780444 /nfs/dbraw/zinc/78/04/44/564780444.db2.gz NTRGEMSVVDPRME-UHFFFAOYSA-N -2 3 376.463 2.565 20 0 GFADHL Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000581189129 564792164 /nfs/dbraw/zinc/79/21/64/564792164.db2.gz WXSGETVNZKTSJE-GOEBONIOSA-N -2 3 381.475 2.953 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000530338154 564876955 /nfs/dbraw/zinc/87/69/55/564876955.db2.gz ZEOKIAYNQBSXFB-SNVBAGLBSA-N -2 3 381.262 2.863 20 0 GFADHL Cc1ncc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c(=O)[n-]1 ZINC000558165543 564894912 /nfs/dbraw/zinc/89/49/12/564894912.db2.gz QRRCRNSVAFSRQB-UHFFFAOYSA-N -2 3 382.656 2.929 20 0 GFADHL O=C([N-]c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1cncs1 ZINC000531352602 564907348 /nfs/dbraw/zinc/90/73/48/564907348.db2.gz NEDRGLREJWYZHS-UHFFFAOYSA-N -2 3 375.834 2.629 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC000583906674 564912682 /nfs/dbraw/zinc/91/26/82/564912682.db2.gz CZEHWYANTDFWGA-SNVBAGLBSA-N -2 3 398.359 2.714 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000560078372 564948820 /nfs/dbraw/zinc/94/88/20/564948820.db2.gz NQZUPHPAFVAYSV-MRXNPFEDSA-N -2 3 376.459 2.963 20 0 GFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000560480283 564964717 /nfs/dbraw/zinc/96/47/17/564964717.db2.gz ZAVXXMFFAJERNI-SNVBAGLBSA-N -2 3 385.463 2.610 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c(C)c1 ZINC000501863238 564987354 /nfs/dbraw/zinc/98/73/54/564987354.db2.gz WPHJYFYGTNFLQS-UHFFFAOYSA-N -2 3 384.479 2.566 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])c1Cl ZINC000562319837 565024269 /nfs/dbraw/zinc/02/42/69/565024269.db2.gz CMUDOKLQDIZCCD-NSHDSACASA-N -2 3 378.233 2.869 20 0 GFADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000562643318 565037554 /nfs/dbraw/zinc/03/75/54/565037554.db2.gz PRRKMESCFWSQRR-RNCFNFMXSA-N -2 3 381.853 2.555 20 0 GFADHL COC(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c(F)cc1F ZINC000562768766 565042123 /nfs/dbraw/zinc/04/21/23/565042123.db2.gz YXTBZCODGKEXHT-UHFFFAOYSA-N -2 3 377.752 2.911 20 0 GFADHL Cc1nc(C=Cc2cc3c(cc2Br)OCO3)[n-]c(=O)c1CC(=O)[O-] ZINC000470261877 565042664 /nfs/dbraw/zinc/04/26/64/565042664.db2.gz WSQKJRFSUJVCNA-IHWYPQMZSA-N -2 3 393.193 2.779 20 0 GFADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCOc2c(Cl)cccc21 ZINC000563069029 565053893 /nfs/dbraw/zinc/05/38/93/565053893.db2.gz ORBVFJIVEPUQGK-SNVBAGLBSA-N -2 3 388.854 2.687 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000563069985 565054596 /nfs/dbraw/zinc/05/45/96/565054596.db2.gz RJYTXMIPJPXWAN-FZMZJTMJSA-N -2 3 389.788 2.579 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCCCC1 ZINC000590609672 565193626 /nfs/dbraw/zinc/19/36/26/565193626.db2.gz YMROAAWOMBPLFN-HNNXBMFYSA-N -2 3 392.518 2.834 20 0 GFADHL CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000590610564 565193951 /nfs/dbraw/zinc/19/39/51/565193951.db2.gz ZBCGDDSRPYYTGT-DOMZBBRYSA-N -2 3 392.518 2.834 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@@H](OC)C1CCCC1 ZINC000663429456 565419948 /nfs/dbraw/zinc/41/99/48/565419948.db2.gz CATBJLPRMKNADC-CYBMUJFWSA-N -2 3 391.873 2.530 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCc1c(C)cc(C)cc1C ZINC000645967151 565579580 /nfs/dbraw/zinc/57/95/80/565579580.db2.gz AYWWZUKYBDFFKV-UHFFFAOYSA-N -2 3 383.491 2.901 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)CC(=O)[O-] ZINC000650408562 565817735 /nfs/dbraw/zinc/81/77/35/565817735.db2.gz CSYBZJIVEQTSMG-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@H](C)C(=O)[O-] ZINC000650421137 565819876 /nfs/dbraw/zinc/81/98/76/565819876.db2.gz JMNUVIWVXNUIBN-NKWVEPMBSA-N -2 3 375.752 2.626 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000629295232 565837069 /nfs/dbraw/zinc/83/70/69/565837069.db2.gz NLODBPQATORIAV-LLVKDONJSA-N -2 3 382.251 2.674 20 0 GFADHL CC1(C)C[C@@H](S(=O)(=O)[N-]c2cc(Br)c(F)cc2C(=O)[O-])CO1 ZINC000629302504 565839803 /nfs/dbraw/zinc/83/98/03/565839803.db2.gz ALCDPDSCKCIKMX-SSDOTTSWSA-N -2 3 396.234 2.596 20 0 GFADHL CCO[C@H](CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-])C1CC1 ZINC000629313620 565841381 /nfs/dbraw/zinc/84/13/81/565841381.db2.gz CBEJUTQIBRWMSN-GFCCVEGCSA-N -2 3 392.271 2.704 20 0 GFADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-])C1CC1 ZINC000656168188 566108766 /nfs/dbraw/zinc/10/87/66/566108766.db2.gz GCEDJKPJVYGUQM-RYUDHWBXSA-N -2 3 396.292 2.848 20 0 GFADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-])C1CC1 ZINC000656167744 566108773 /nfs/dbraw/zinc/10/87/73/566108773.db2.gz ATEOXMPBQMXRTO-OLZOCXBDSA-N -2 3 382.265 2.540 20 0 GFADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-])C1CC1 ZINC000656168209 566108928 /nfs/dbraw/zinc/10/89/28/566108928.db2.gz OQQSXCWHAIYUDF-NEPJUHHUSA-N -2 3 382.265 2.540 20 0 GFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656513443 566131412 /nfs/dbraw/zinc/13/14/12/566131412.db2.gz YELFTZMRFVFEHM-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000656181586 566111682 /nfs/dbraw/zinc/11/16/82/566111682.db2.gz UOKUWPLCTPHZPQ-IUCAKERBSA-N -2 3 387.401 2.533 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000681573722 566113125 /nfs/dbraw/zinc/11/31/25/566113125.db2.gz ABWQMYSBPSKXPP-LLVKDONJSA-N -2 3 377.390 2.529 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(F)cc1F ZINC000681575257 566114257 /nfs/dbraw/zinc/11/42/57/566114257.db2.gz MLTXFTSTDGIWMI-ZDUSSCGKSA-N -2 3 377.315 2.737 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-] ZINC000656511855 566130406 /nfs/dbraw/zinc/13/04/06/566130406.db2.gz DVYDUHYQYRKHCQ-SNVBAGLBSA-N -2 3 394.287 2.627 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)s1 ZINC000656716904 566157427 /nfs/dbraw/zinc/15/74/27/566157427.db2.gz HSKIWKIUSQKDCZ-JTQLQIEISA-N -2 3 387.401 2.615 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCOCC2CCC2)cc1C(F)(F)F ZINC000634790396 566177470 /nfs/dbraw/zinc/17/74/70/566177470.db2.gz GANSNSBERSJQAB-UHFFFAOYSA-N -2 3 381.372 2.962 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000683140233 566184139 /nfs/dbraw/zinc/18/41/39/566184139.db2.gz PALFAMYVVALHDG-GFCCVEGCSA-N -2 3 384.679 2.882 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738346258 598910124 /nfs/dbraw/zinc/91/01/24/598910124.db2.gz WRTGWKXLNVMJKV-UHFFFAOYSA-N -2 3 396.407 2.869 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738346258 598910125 /nfs/dbraw/zinc/91/01/25/598910125.db2.gz WRTGWKXLNVMJKV-UHFFFAOYSA-N -2 3 396.407 2.869 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736448514 599218429 /nfs/dbraw/zinc/21/84/29/599218429.db2.gz ZKHJLTGDURMJPM-CQSZACIVSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736448514 599218430 /nfs/dbraw/zinc/21/84/30/599218430.db2.gz ZKHJLTGDURMJPM-CQSZACIVSA-N -2 3 393.513 2.809 20 0 GFADHL O=S(=O)([N-]c1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738342148 598296450 /nfs/dbraw/zinc/29/64/50/598296450.db2.gz MQNKPLWSRRTIAR-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738342148 598296452 /nfs/dbraw/zinc/29/64/52/598296452.db2.gz MQNKPLWSRRTIAR-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)CC(C)(C)C ZINC000735975611 598414669 /nfs/dbraw/zinc/41/46/69/598414669.db2.gz NELZNCKPPPGSNC-SNVBAGLBSA-N -2 3 399.904 2.787 20 0 GFADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)CC(C)(C)C ZINC000735975611 598414672 /nfs/dbraw/zinc/41/46/72/598414672.db2.gz NELZNCKPPPGSNC-SNVBAGLBSA-N -2 3 399.904 2.787 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000737399477 599561101 /nfs/dbraw/zinc/56/11/01/599561101.db2.gz KLAQCLOMNKGPHD-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000737399477 599561104 /nfs/dbraw/zinc/56/11/04/599561104.db2.gz KLAQCLOMNKGPHD-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000736958842 599768920 /nfs/dbraw/zinc/76/89/20/599768920.db2.gz KRTHRDGRRNVYEX-CYBMUJFWSA-N -2 3 398.250 2.519 20 0 GFADHL C[C@@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315098905 599770599 /nfs/dbraw/zinc/77/05/99/599770599.db2.gz CCHJJBZYWCAZGC-VIFPVBQESA-N -2 3 388.239 2.650 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCCC3)c2)o1 ZINC000740176903 599773645 /nfs/dbraw/zinc/77/36/45/599773645.db2.gz YPLGMGVZBUFFPK-UHFFFAOYSA-N -2 3 392.433 2.585 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCOc2cccc(Cl)c2Cl)o1 ZINC000740176841 599775151 /nfs/dbraw/zinc/77/51/51/599775151.db2.gz UJWNUJTYHBJZMS-UHFFFAOYSA-N -2 3 380.205 2.642 20 0 GFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(F)cc1F ZINC000324663988 599850340 /nfs/dbraw/zinc/85/03/40/599850340.db2.gz LUNCSIZKYHJWLA-UHFFFAOYSA-N -3 3 377.346 2.532 20 0 GFADHL COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(C(=O)[O-])cc1OC ZINC000517979264 599938527 /nfs/dbraw/zinc/93/85/27/599938527.db2.gz SORNGWQRINXEIN-SNVBAGLBSA-N -2 3 393.417 2.526 20 0 GFADHL O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000740318467 600065851 /nfs/dbraw/zinc/06/58/51/600065851.db2.gz KDZXWDDDSQOAAV-OAHLLOKOSA-N -2 3 381.306 2.942 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1OCC ZINC000047949100 600541304 /nfs/dbraw/zinc/54/13/04/600541304.db2.gz FPZQNMDYDJOJDB-UHFFFAOYSA-N -2 3 395.433 2.992 20 0 GFADHL O=C([O-])CCc1nnc([N-]C(=O)c2csc(Cc3ccc(F)cc3)n2)s1 ZINC000739782242 600632073 /nfs/dbraw/zinc/63/20/73/600632073.db2.gz WDHAUOJVKINECQ-UHFFFAOYSA-N -2 3 392.437 2.994 20 0 GFADHL O=C([O-])c1ccsc1N1CC[C@@H]([N-]C(=O)C(F)(F)c2ccc(F)cc2)C1=O ZINC000833337070 601069273 /nfs/dbraw/zinc/06/92/73/601069273.db2.gz YYEUBUKHABQTIN-GFCCVEGCSA-N -2 3 398.362 2.599 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000645955965 601217618 /nfs/dbraw/zinc/21/76/18/601217618.db2.gz MMVPYWMNPYZCGZ-UHFFFAOYSA-N -2 3 393.339 2.706 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc(NC(=O)CC(C)C)c2)cc1C(=O)[O-] ZINC000833026415 601219360 /nfs/dbraw/zinc/21/93/60/601219360.db2.gz AOKBEDCRTQMDCG-UHFFFAOYSA-N -2 3 394.449 2.749 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CCc2coc(-c3ccc(C)cc3)n2)cc1C(=O)[O-] ZINC000832907217 601220177 /nfs/dbraw/zinc/22/01/77/601220177.db2.gz MZPVTDARBMUKMY-UHFFFAOYSA-N -2 3 390.417 2.771 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(-n3ccnc3)c2)cc1C(=O)[O-] ZINC000833027130 601224165 /nfs/dbraw/zinc/22/41/65/601224165.db2.gz CIRKHFXPAIUJFG-NSHDSACASA-N -2 3 375.406 2.511 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)c1F ZINC000323927259 601227726 /nfs/dbraw/zinc/22/77/26/601227726.db2.gz XSDPSKQIPAMVGI-UHFFFAOYSA-N -2 3 375.780 2.837 20 0 GFADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000826717948 601235949 /nfs/dbraw/zinc/23/59/49/601235949.db2.gz XSKGNZHZEHWFLB-YKXBDCQTSA-N -2 3 391.449 2.720 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)sc1Br ZINC000123555495 601256333 /nfs/dbraw/zinc/25/63/33/601256333.db2.gz UQTDHRMQVIRBQI-UHFFFAOYSA-N -2 3 382.301 2.741 20 0 GFADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000013278722 601319633 /nfs/dbraw/zinc/31/96/33/601319633.db2.gz KGBXGIQAEKMIEH-UHFFFAOYSA-N -2 3 399.808 2.619 20 0 GFADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(F)cc1F ZINC000024428220 601320009 /nfs/dbraw/zinc/32/00/09/601320009.db2.gz HKHDIFSNXRYECN-QPJJXVBHSA-N -2 3 397.355 2.650 20 0 GFADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2F)c1 ZINC000736065121 601332477 /nfs/dbraw/zinc/33/24/77/601332477.db2.gz XYYCXBPKXSOGOV-UHFFFAOYSA-N -2 3 393.371 2.958 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000827760634 601385102 /nfs/dbraw/zinc/38/51/02/601385102.db2.gz MBZDCQLUYGICPU-SNVBAGLBSA-N -2 3 397.428 2.994 20 0 GFADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1ccc(Cl)cc1 ZINC000831078087 601388568 /nfs/dbraw/zinc/38/85/68/601388568.db2.gz JLKKMNZPHYKBJX-OAHLLOKOSA-N -2 3 397.836 2.539 20 0 GFADHL COc1ccc(-c2cc3[n-]c(CN4C[C@H](C(=O)[O-])[C@H](C)C4)nc(=O)c3s2)cc1 ZINC000832116073 601513120 /nfs/dbraw/zinc/51/31/20/601513120.db2.gz GKGAHIBIIMZQQC-RISCZKNCSA-N -2 3 399.472 2.813 20 0 GFADHL Cc1sc(C(=O)[O-])cc1COC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000832912088 601727088 /nfs/dbraw/zinc/72/70/88/601727088.db2.gz UNJRGPNYXSHXLG-UHFFFAOYSA-N -2 3 377.418 2.632 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(F)cc1F ZINC000548203856 601831228 /nfs/dbraw/zinc/83/12/28/601831228.db2.gz USDWYTZEFXGWGQ-MRXNPFEDSA-N -2 3 394.399 2.729 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1-c1ncco1 ZINC000481614235 602202836 /nfs/dbraw/zinc/20/28/36/602202836.db2.gz VCGUXXOOYFCGOT-UHFFFAOYSA-N -2 3 388.401 2.914 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000831444556 602219063 /nfs/dbraw/zinc/21/90/63/602219063.db2.gz HBBNUWGCCYYQAC-AWEZNQCLSA-N -2 3 397.474 2.665 20 0 GFADHL CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C[C@@H]1OC ZINC000829055356 602221854 /nfs/dbraw/zinc/22/18/54/602221854.db2.gz HHZBQWFRZZVOMG-NEPJUHHUSA-N -2 3 377.409 2.535 20 0 GFADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(CN(C)C(=O)[O-])c3)ccc2O1 ZINC000739189269 602655352 /nfs/dbraw/zinc/65/53/52/602655352.db2.gz LGZXQZYDYOLVQX-GFCCVEGCSA-N -2 3 376.434 2.921 20 0 GFADHL O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000740516546 602992182 /nfs/dbraw/zinc/99/21/82/602992182.db2.gz KZRRRPIVGGWFTF-UKRRQHHQSA-N -2 3 388.497 2.815 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](NC(=O)[O-])[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000740211063 603183256 /nfs/dbraw/zinc/18/32/56/603183256.db2.gz XEFGBHYTBPLFGV-IAQYHMDHSA-N -2 3 385.424 2.668 20 0 GFADHL CCN(CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C(=O)[O-] ZINC000739396064 603420672 /nfs/dbraw/zinc/42/06/72/603420672.db2.gz ODNUYABZDUQKIR-UHFFFAOYSA-N -2 3 391.449 2.734 20 0 GFADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000760102657 604473479 /nfs/dbraw/zinc/47/34/79/604473479.db2.gz DOJVSSIQMNFGDT-UHFFFAOYSA-N -2 3 382.251 2.902 20 0 GFADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C[C@@H]3CSCCN3C(=O)[O-])c2)n1 ZINC000829893675 605421088 /nfs/dbraw/zinc/42/10/88/605421088.db2.gz JEWDUMWKOFQMLX-CYBMUJFWSA-N -2 3 389.433 2.549 20 0 GFADHL CC(C)N(CCC(=O)[O-])C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000833497168 605755089 /nfs/dbraw/zinc/75/50/89/605755089.db2.gz RIWXIAHTGVOXNH-LJQANCHMSA-N -2 3 398.459 2.965 20 0 GFADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823299378 606379692 /nfs/dbraw/zinc/37/96/92/606379692.db2.gz UYCXQUJUPPVWIB-UHFFFAOYSA-N -2 3 383.593 2.569 20 0 GFADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823299378 606379694 /nfs/dbraw/zinc/37/96/94/606379694.db2.gz UYCXQUJUPPVWIB-UHFFFAOYSA-N -2 3 383.593 2.569 20 0 GFADHL Cc1ccc(C=CS(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000822233171 606622185 /nfs/dbraw/zinc/62/21/85/606622185.db2.gz IZMYZKFJYGKJKW-KTKRTIGZSA-N -2 3 387.469 2.539 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1O ZINC000822328374 606655776 /nfs/dbraw/zinc/65/57/76/606655776.db2.gz ONRXETAFHMYIPE-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1O ZINC000822328374 606655777 /nfs/dbraw/zinc/65/57/77/606655777.db2.gz ONRXETAFHMYIPE-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000821589316 606751238 /nfs/dbraw/zinc/75/12/38/606751238.db2.gz ILPCEJMMAPUIBY-UHFFFAOYSA-N -2 3 398.492 2.612 20 0 GFADHL CC(C)(C(=O)[N-]OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819891936 606838987 /nfs/dbraw/zinc/83/89/87/606838987.db2.gz MLFKKXHRCONSMP-UHFFFAOYSA-N -2 3 381.436 2.661 20 0 GFADHL CC(C)(C(=O)[N-]OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819891936 606838988 /nfs/dbraw/zinc/83/89/88/606838988.db2.gz MLFKKXHRCONSMP-UHFFFAOYSA-N -2 3 381.436 2.661 20 0 GFADHL Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822229530 606892169 /nfs/dbraw/zinc/89/21/69/606892169.db2.gz WNTXIOFHSRNWGK-NSHDSACASA-N -2 3 393.419 2.535 20 0 GFADHL CSc1c(F)cc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1F ZINC000826229452 609469640 /nfs/dbraw/zinc/46/96/40/609469640.db2.gz FGCFWCURAKLJKC-UHFFFAOYSA-N -2 3 397.432 2.976 20 0 GFADHL CSc1c(F)cc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1F ZINC000826229452 609469642 /nfs/dbraw/zinc/46/96/42/609469642.db2.gz FGCFWCURAKLJKC-UHFFFAOYSA-N -2 3 397.432 2.976 20 0 GFADHL O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492615 609529151 /nfs/dbraw/zinc/52/91/51/609529151.db2.gz UTQVPNVNFFOMLE-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492615 609529153 /nfs/dbraw/zinc/52/91/53/609529153.db2.gz UTQVPNVNFFOMLE-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)c(C)c1Cl ZINC000819089222 660246098 /nfs/dbraw/zinc/24/60/98/660246098.db2.gz IFNPEUPBTJBKNC-BDAKNGLRSA-N -2 3 397.902 2.520 20 0 GFADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000899933208 663702995 /nfs/dbraw/zinc/70/29/95/663702995.db2.gz JWCLVLYJODATRW-UHFFFAOYSA-N -2 3 382.663 2.634 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cc(Cl)ccc1Cl ZINC000122934086 654747464 /nfs/dbraw/zinc/74/74/64/654747464.db2.gz QTGKWKGIQLVRHS-UHFFFAOYSA-N -2 3 384.248 2.898 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cc(Cl)ccc1Cl ZINC000122934086 654747469 /nfs/dbraw/zinc/74/74/69/654747469.db2.gz QTGKWKGIQLVRHS-UHFFFAOYSA-N -2 3 384.248 2.898 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000324651129 655384198 /nfs/dbraw/zinc/38/41/98/655384198.db2.gz BJXHYVBNZKZCDU-ZDUSSCGKSA-N -2 3 376.818 2.560 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000324584067 655384231 /nfs/dbraw/zinc/38/42/31/655384231.db2.gz YBGMGEOIKFYWJO-CYBMUJFWSA-N -2 3 376.818 2.560 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c(F)cc1Br ZINC000575151068 655436255 /nfs/dbraw/zinc/43/62/55/655436255.db2.gz IBXWCOZXRSBIQX-MRVPVSSYSA-N -2 3 382.251 2.676 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c(Cl)n1 ZINC000769639637 656283867 /nfs/dbraw/zinc/28/38/67/656283867.db2.gz RYEZKKOWFILEJD-UHFFFAOYSA-N -2 3 378.740 2.521 20 0 GFADHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000776549367 656756100 /nfs/dbraw/zinc/75/61/00/656756100.db2.gz PMKFRXOHGPAJPW-UHFFFAOYSA-N -2 3 389.260 2.537 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1c(F)cccc1F ZINC000776586383 656762970 /nfs/dbraw/zinc/76/29/70/656762970.db2.gz CTUMVEQFTHOXAW-LLVKDONJSA-N -2 3 397.186 2.771 20 0 GFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000776617822 656769014 /nfs/dbraw/zinc/76/90/14/656769014.db2.gz VCUUYIKJBXJCHJ-XCBNKYQSSA-N -2 3 384.317 2.987 20 0 GFADHL O=C([O-])[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3cnc(-c4ccccc4)s3)[C@@H]2C1 ZINC000903542508 663787880 /nfs/dbraw/zinc/78/78/80/663787880.db2.gz JWZQIJMXZVCEOI-RQJABVFESA-N -2 3 378.475 2.588 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CCC1 ZINC000395526213 677411337 /nfs/dbraw/zinc/41/13/37/677411337.db2.gz YTDQRUONUHQANC-UHFFFAOYSA-N -2 3 380.260 2.845 20 0 GFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)o1 ZINC000124728961 551317103 /nfs/dbraw/zinc/31/71/03/551317103.db2.gz IDTZJVBTRSQZRJ-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000127329066 551340542 /nfs/dbraw/zinc/34/05/42/551340542.db2.gz BDXGRBCZPJZQER-SECBINFHSA-N -2 3 382.251 2.613 20 0 GFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161829837 551598919 /nfs/dbraw/zinc/59/89/19/551598919.db2.gz ONPRKSBVOJYMEN-LLVKDONJSA-N -2 3 382.251 2.756 20 0 GFADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000229518915 553064524 /nfs/dbraw/zinc/06/45/24/553064524.db2.gz KDTOEYBKVLCMBI-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2ccc(F)cc2Br)(C(=O)[O-])C1 ZINC000314740991 563439097 /nfs/dbraw/zinc/43/90/97/563439097.db2.gz BVQUZVWLKKJWLR-YMTOWFKASA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@@H]1CCOC2(CCC2)C1 ZINC000372260040 563300448 /nfs/dbraw/zinc/30/04/48/563300448.db2.gz FWCLKBRQYNQHHT-QMTHXVAHSA-N -2 3 391.848 2.560 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-] ZINC000314915217 563440317 /nfs/dbraw/zinc/44/03/17/563440317.db2.gz MHZRQDQERTUIKG-NSHDSACASA-N -2 3 394.287 2.625 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(CC)(CC)C(=O)[O-] ZINC000316899755 563442276 /nfs/dbraw/zinc/44/22/76/563442276.db2.gz CCMATOGQWDDZEK-UHFFFAOYSA-N -2 3 394.287 2.770 20 0 GFADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000324023039 563451300 /nfs/dbraw/zinc/45/13/00/563451300.db2.gz OIWJIUFNCWBLCT-PELKAZGASA-N -2 3 384.281 2.929 20 0 GFADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F ZINC000326345965 563455070 /nfs/dbraw/zinc/45/50/70/563455070.db2.gz WZKCSUFNGINYRQ-MRVPVSSYSA-N -2 3 389.779 2.670 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000327280199 563457201 /nfs/dbraw/zinc/45/72/01/563457201.db2.gz GQNFPMFAEPBAFN-UHFFFAOYSA-N -2 3 385.825 2.864 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c(F)c1 ZINC000327362375 563457910 /nfs/dbraw/zinc/45/79/10/563457910.db2.gz SYTPTVKBBMEVBX-UHFFFAOYSA-N -2 3 387.772 2.749 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1 ZINC000432074123 563574294 /nfs/dbraw/zinc/57/42/94/563574294.db2.gz DIURPHCEGILXHF-UHFFFAOYSA-N -2 3 379.821 2.897 20 0 GFADHL COCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)s1 ZINC000436916701 563684854 /nfs/dbraw/zinc/68/48/54/563684854.db2.gz WZJJPMYUCIZCDR-UHFFFAOYSA-N -2 3 379.829 2.994 20 0 GFADHL CN(CCNC(=O)c1ccc(Cl)cc1[O-])C(=O)c1ccc(Cl)cc1[O-] ZINC000438355878 563704443 /nfs/dbraw/zinc/70/44/43/563704443.db2.gz OATRLUSRWQKFGF-UHFFFAOYSA-N -2 3 383.231 2.907 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)sc1Cl ZINC000364366741 563751158 /nfs/dbraw/zinc/75/11/58/563751158.db2.gz CDVGNNQOAAMJCJ-CMPLNLGQSA-N -2 3 393.914 2.791 20 0 GFADHL CC(C)(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416637663 563856621 /nfs/dbraw/zinc/85/66/21/563856621.db2.gz UTCABSXJUXOCTJ-JSGCOSHPSA-N -2 3 392.518 2.690 20 0 GFADHL Cn1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)cc1C(=O)[O-] ZINC000538939936 564206620 /nfs/dbraw/zinc/20/66/20/564206620.db2.gz WWNHRFLSFPNWIV-UHFFFAOYSA-N -2 3 395.181 2.565 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)s1 ZINC000539408801 564219184 /nfs/dbraw/zinc/21/91/84/564219184.db2.gz YBHBPZNSVWPWRR-DYVFJYSZSA-N -2 3 380.491 2.853 20 0 GFADHL Cc1nc(C=Cc2cn3ccc(Br)cc3n2)[n-]c(=O)c1CC(=O)[O-] ZINC000564550341 564238612 /nfs/dbraw/zinc/23/86/12/564238612.db2.gz MTVKOOOXPMBYKX-IHWYPQMZSA-N -2 3 389.209 2.698 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000564854224 564252408 /nfs/dbraw/zinc/25/24/08/564252408.db2.gz KHELTMYLKJRZQQ-QMTHXVAHSA-N -2 3 387.841 2.553 20 0 GFADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000566859534 564346632 /nfs/dbraw/zinc/34/66/32/564346632.db2.gz XGCBBRBCGKASKF-QMMMGPOBSA-N -2 3 382.335 2.629 20 0 GFADHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000567603359 564379895 /nfs/dbraw/zinc/37/98/95/564379895.db2.gz LMIDFOWCFOVQFJ-LLVKDONJSA-N -2 3 381.372 2.739 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000568746139 564433418 /nfs/dbraw/zinc/43/34/18/564433418.db2.gz MSCRMSXPFAGPNZ-SNVBAGLBSA-N -2 3 385.488 2.970 20 0 GFADHL O=S(=O)([N-]Cc1ncccc1[O-])c1cc(Br)sc1Cl ZINC000480742597 564486023 /nfs/dbraw/zinc/48/60/23/564486023.db2.gz CYKHPLXKVNLOHH-UHFFFAOYSA-N -2 3 383.676 2.743 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000515746457 564486522 /nfs/dbraw/zinc/48/65/22/564486522.db2.gz ZSCSGEZCJLUXNV-SNVBAGLBSA-N -2 3 381.262 2.863 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)Cc1ccccc1Cl ZINC000547547790 564493310 /nfs/dbraw/zinc/49/33/10/564493310.db2.gz VMLLDELFDDCSOX-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000547573052 564496763 /nfs/dbraw/zinc/49/67/63/564496763.db2.gz IZZCPAIIKVEINN-ZDUSSCGKSA-N -2 3 375.780 2.592 20 0 GFADHL CC(C)(CCC[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000547577701 564497427 /nfs/dbraw/zinc/49/74/27/564497427.db2.gz NBHQLWFZVCZWPU-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)CCCCC1 ZINC000547592579 564500091 /nfs/dbraw/zinc/50/00/91/564500091.db2.gz DTSKDDSSTBBDKY-UHFFFAOYSA-N -2 3 380.388 2.804 20 0 GFADHL C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000547611127 564502274 /nfs/dbraw/zinc/50/22/74/564502274.db2.gz DKRVIBFNKNREPZ-ZANVPECISA-N -2 3 388.239 2.782 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)cc1C ZINC000570394012 564503491 /nfs/dbraw/zinc/50/34/91/564503491.db2.gz ZZAXDQUIVCKBAR-LBPRGKRZSA-N -2 3 383.491 2.981 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])s1 ZINC000547617353 564504191 /nfs/dbraw/zinc/50/41/91/564504191.db2.gz STGPCOBNJNHYMH-LBPRGKRZSA-N -2 3 392.861 2.527 20 0 GFADHL Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C(=O)[O-])c1C ZINC000547639660 564505113 /nfs/dbraw/zinc/50/51/13/564505113.db2.gz NXXCYPUCBSZELO-ZDUSSCGKSA-N -2 3 388.239 2.763 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000547874045 564515503 /nfs/dbraw/zinc/51/55/03/564515503.db2.gz LPEBWJMQOROLOB-PWSUYJOCSA-N -2 3 389.857 2.820 20 0 GFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000547931529 564522110 /nfs/dbraw/zinc/52/21/10/564522110.db2.gz CLGNEZNKPYLMCQ-VIFPVBQESA-N -2 3 384.679 2.738 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000547936432 564523315 /nfs/dbraw/zinc/52/33/15/564523315.db2.gz HFKHZGQJKSOUJJ-LLVKDONJSA-N -2 3 382.265 2.542 20 0 GFADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548209565 564536860 /nfs/dbraw/zinc/53/68/60/564536860.db2.gz LMXBFHHVUNKTND-SKDRFNHKSA-N -2 3 389.882 2.713 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccsc1 ZINC000548768332 564573846 /nfs/dbraw/zinc/57/38/46/564573846.db2.gz ZAQWCGICZQSZRV-JTQLQIEISA-N -2 3 399.343 2.890 20 0 GFADHL C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2cc(F)ccc2Br)(C(=O)[O-])C1 ZINC000548837318 564577661 /nfs/dbraw/zinc/57/76/61/564577661.db2.gz WGUGTQOKQXBAEV-YMTOWFKASA-N -2 3 394.262 2.900 20 0 GFADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-])C1CC1 ZINC000548867499 564578519 /nfs/dbraw/zinc/57/85/19/564578519.db2.gz LQTAKDFJLKRBIW-MADCSZMMSA-N -2 3 396.690 2.880 20 0 GFADHL O=C([O-])[C@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000549548724 564597999 /nfs/dbraw/zinc/59/79/99/564597999.db2.gz HAOABUPCVHMRGX-DZGCQCFKSA-N -2 3 393.864 2.542 20 0 GFADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cn1C ZINC000572638142 564603490 /nfs/dbraw/zinc/60/34/90/564603490.db2.gz QDFNNLKGWVONQL-ZDUSSCGKSA-N -2 3 385.873 2.691 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-] ZINC000485037206 564605036 /nfs/dbraw/zinc/60/50/36/564605036.db2.gz VOGJXWQQILYEBS-GFCCVEGCSA-N -2 3 391.873 2.684 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(=O)[O-] ZINC000576223092 564708046 /nfs/dbraw/zinc/70/80/46/564708046.db2.gz VZVBXVIYEXWWJL-JTQLQIEISA-N -2 3 398.359 2.714 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(C)(C)C(C)C)c(F)c1 ZINC000576821401 564720838 /nfs/dbraw/zinc/72/08/38/564720838.db2.gz RVDAHDFNWWDLNS-UHFFFAOYSA-N -2 3 380.507 2.690 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000527052104 564728045 /nfs/dbraw/zinc/72/80/45/564728045.db2.gz IDKRKTOYAGTOCY-SNVBAGLBSA-N -2 3 380.369 2.575 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000554532664 564765025 /nfs/dbraw/zinc/76/50/25/564765025.db2.gz UGPQBYOIVMQAKI-NSHDSACASA-N -2 3 394.758 2.858 20 0 GFADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000580824611 564775546 /nfs/dbraw/zinc/77/55/46/564775546.db2.gz DDXNEVMFJUMQNY-NSHDSACASA-N -2 3 397.758 2.926 20 0 GFADHL O=C([O-])[C@H](CCSc1ccccc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000580865837 564777418 /nfs/dbraw/zinc/77/74/18/564777418.db2.gz UPBPESZZVFMUAL-AWEZNQCLSA-N -2 3 386.882 2.649 20 0 GFADHL CSc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)cc1Cl ZINC000556775198 564838829 /nfs/dbraw/zinc/83/88/29/564838829.db2.gz LLVRCAVDRZFZRG-ZETCQYMHSA-N -2 3 391.820 2.993 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccsc1 ZINC000530155469 564868611 /nfs/dbraw/zinc/86/86/11/564868611.db2.gz ZECMVXSZKKOOIJ-CMPLNLGQSA-N -2 3 387.866 2.943 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000557951637 564886273 /nfs/dbraw/zinc/88/62/73/564886273.db2.gz MKIRVMDZPNXMRX-SSDOTTSWSA-N -2 3 378.834 2.552 20 0 GFADHL COc1ccc(Br)cc1C([O-])=CCC(=O)N=c1nc(C)[n-]s1 ZINC000464431604 564907548 /nfs/dbraw/zinc/90/75/48/564907548.db2.gz UXGYELDXROAQRR-UHFFFAOYSA-N -2 3 384.255 2.641 20 0 GFADHL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)CCc2cccs2)n1 ZINC000558589881 564907968 /nfs/dbraw/zinc/90/79/68/564907968.db2.gz BQEPVKRBYZTENS-UHFFFAOYSA-N -2 3 377.447 2.616 20 0 GFADHL O=C([O-])[C@@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000559153588 564925017 /nfs/dbraw/zinc/92/50/17/564925017.db2.gz YDGAHCKTUYJCJK-GJZGRUSLSA-N -2 3 393.864 2.542 20 0 GFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-] ZINC000592450779 565277793 /nfs/dbraw/zinc/27/77/93/565277793.db2.gz PJPOBGLOLXBDJI-VIFPVBQESA-N -2 3 375.443 2.613 20 0 GFADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000663293078 565407203 /nfs/dbraw/zinc/40/72/03/565407203.db2.gz ABJAWUQXFATVTF-SSDOTTSWSA-N -2 3 377.743 2.801 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)oc1C(=O)[O-] ZINC000663421426 565419041 /nfs/dbraw/zinc/41/90/41/565419041.db2.gz OWBCSRWHUQLZAA-SECBINFHSA-N -2 3 375.349 2.927 20 0 GFADHL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000621598404 565432026 /nfs/dbraw/zinc/43/20/26/565432026.db2.gz HXGVFZAVYMTCJM-PWSUYJOCSA-N -2 3 393.237 2.664 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCC1 ZINC000645958396 565577719 /nfs/dbraw/zinc/57/77/19/565577719.db2.gz VWXAJBRVXHIQHB-UHFFFAOYSA-N -2 3 385.438 2.952 20 0 GFADHL C/C=C/C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000646041305 565583868 /nfs/dbraw/zinc/58/38/68/565583868.db2.gz IGGHVSZGSVQCIT-TZNOJPMFSA-N -2 3 392.271 2.546 20 0 GFADHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000646041306 565584048 /nfs/dbraw/zinc/58/40/48/565584048.db2.gz IGGHVSZGSVQCIT-USEMIUTHSA-N -2 3 392.271 2.546 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1C)C(=O)[O-] ZINC000629304345 565839248 /nfs/dbraw/zinc/83/92/48/565839248.db2.gz QOCQUKLKGYLUID-SECBINFHSA-N -2 3 382.251 2.676 20 0 GFADHL CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)OCC ZINC000629332359 565845140 /nfs/dbraw/zinc/84/51/40/565845140.db2.gz FUIBPQVXYVUBKX-NSHDSACASA-N -2 3 379.862 2.530 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])s1 ZINC000654777720 566021701 /nfs/dbraw/zinc/02/17/01/566021701.db2.gz SMCSWCWGEKKNRS-RKDXNWHRSA-N -2 3 382.301 2.598 20 0 GFADHL C[C@H](CCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC000656513278 566131324 /nfs/dbraw/zinc/13/13/24/566131324.db2.gz USLMIJUQVXLLNE-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL COc1cc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc(Br)c1[O-] ZINC000656567524 566142228 /nfs/dbraw/zinc/14/22/28/566142228.db2.gz RYOCQEQMJSKOJK-ZDUSSCGKSA-N -2 3 381.226 2.864 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)Cc1ccc(F)cc1C ZINC000656718258 566158158 /nfs/dbraw/zinc/15/81/58/566158158.db2.gz RYEQTXUPLHLHIU-SNVBAGLBSA-N -2 3 387.454 2.812 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC[C@@]1(C)CC1(F)F ZINC000656728992 566159424 /nfs/dbraw/zinc/15/94/24/566159424.db2.gz MKIPWRQRSZNFER-ZDUSSCGKSA-N -2 3 383.800 2.761 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@]1(CC(=O)[O-])CC[C@H](C)C1 ZINC000683729386 566211598 /nfs/dbraw/zinc/21/15/98/566211598.db2.gz KTYIXWJESDRXSN-ZBEGNZNMSA-N -2 3 375.874 2.908 20 0 GFADHL CCC(CC)S(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736350014 598858121 /nfs/dbraw/zinc/85/81/21/598858121.db2.gz KMLUZANSCQCHBQ-UHFFFAOYSA-N -2 3 399.476 2.782 20 0 GFADHL CCC(CC)S(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736350014 598858123 /nfs/dbraw/zinc/85/81/23/598858123.db2.gz KMLUZANSCQCHBQ-UHFFFAOYSA-N -2 3 399.476 2.782 20 0 GFADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000737225691 599029588 /nfs/dbraw/zinc/02/95/88/599029588.db2.gz GUNSFINBQOFXTD-ZDUSSCGKSA-N -2 3 389.485 2.780 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000737225691 599029590 /nfs/dbraw/zinc/02/95/90/599029590.db2.gz GUNSFINBQOFXTD-ZDUSSCGKSA-N -2 3 389.485 2.780 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCC(=O)[O-])ccc2C)c(C)c1 ZINC000262589078 597024554 /nfs/dbraw/zinc/02/45/54/597024554.db2.gz HGRLHXVHWSZWPN-UHFFFAOYSA-N -2 3 390.461 2.535 20 0 GFADHL Cc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1C(=O)[O-] ZINC000821013603 597492168 /nfs/dbraw/zinc/49/21/68/597492168.db2.gz ILBLQXZSCLZRDJ-UHFFFAOYSA-N -2 3 392.415 2.718 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)c(F)c1 ZINC000737370966 598283610 /nfs/dbraw/zinc/28/36/10/598283610.db2.gz ZHQGRFGMLARHSH-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000737056321 598356225 /nfs/dbraw/zinc/35/62/25/598356225.db2.gz CQNUNKAAOVQQST-IBGZPJMESA-N -2 3 387.440 2.875 20 0 GFADHL C[C@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736262113 598414854 /nfs/dbraw/zinc/41/48/54/598414854.db2.gz MGYSMJZHWYCYTQ-WDEREUQCSA-N -2 3 397.888 2.541 20 0 GFADHL C[C@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736262113 598414856 /nfs/dbraw/zinc/41/48/56/598414856.db2.gz MGYSMJZHWYCYTQ-WDEREUQCSA-N -2 3 397.888 2.541 20 0 GFADHL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735913397 598451498 /nfs/dbraw/zinc/45/14/98/598451498.db2.gz CBOFLPNWEKPLSX-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735913397 598451499 /nfs/dbraw/zinc/45/14/99/598451499.db2.gz CBOFLPNWEKPLSX-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736445168 598536102 /nfs/dbraw/zinc/53/61/02/598536102.db2.gz JXNLMIHKKFRILC-CQSZACIVSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736445168 598536104 /nfs/dbraw/zinc/53/61/04/598536104.db2.gz JXNLMIHKKFRILC-CQSZACIVSA-N -2 3 393.513 2.809 20 0 GFADHL CC(C)Oc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1-c1nnn[n-]1 ZINC000820160033 607365661 /nfs/dbraw/zinc/36/56/61/607365661.db2.gz DONFBPBQNNODKO-OAHLLOKOSA-N -2 3 395.419 2.851 20 0 GFADHL CC(C)Oc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1-c1nn[n-]n1 ZINC000820160033 607365663 /nfs/dbraw/zinc/36/56/63/607365663.db2.gz DONFBPBQNNODKO-OAHLLOKOSA-N -2 3 395.419 2.851 20 0 GFADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821049238 599623093 /nfs/dbraw/zinc/62/30/93/599623093.db2.gz JIXKGTQLNOLAIG-NSHDSACASA-N -2 3 399.904 2.932 20 0 GFADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821049238 599623094 /nfs/dbraw/zinc/62/30/94/599623094.db2.gz JIXKGTQLNOLAIG-NSHDSACASA-N -2 3 399.904 2.932 20 0 GFADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821050979 599624764 /nfs/dbraw/zinc/62/47/64/599624764.db2.gz WIOHAVHLROMORL-LBPRGKRZSA-N -2 3 379.486 2.587 20 0 GFADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821050979 599624765 /nfs/dbraw/zinc/62/47/65/599624765.db2.gz WIOHAVHLROMORL-LBPRGKRZSA-N -2 3 379.486 2.587 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000524319309 599746962 /nfs/dbraw/zinc/74/69/62/599746962.db2.gz PTBHYFQLITVVIT-UHFFFAOYSA-N -3 3 399.808 2.936 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(COCc3ccco3)c2)o1 ZINC000740176865 599770428 /nfs/dbraw/zinc/77/04/28/599770428.db2.gz VABJEHZRJYJFRG-UHFFFAOYSA-N -2 3 391.401 2.766 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000740175657 599777231 /nfs/dbraw/zinc/77/72/31/599777231.db2.gz RKDIPRJOAQELIN-ONGXEEELSA-N -2 3 375.324 2.831 20 0 GFADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C(=O)[O-])cc1 ZINC000738569463 600171597 /nfs/dbraw/zinc/17/15/97/600171597.db2.gz GCSSGTIBUYKITE-LLVKDONJSA-N -2 3 389.260 2.844 20 0 GFADHL Cc1nc(C)c(CCC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c(=O)[n-]1 ZINC000738846532 600213297 /nfs/dbraw/zinc/21/32/97/600213297.db2.gz DLHLTORUBDTRLW-UHFFFAOYSA-N -2 3 381.335 2.670 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)c(C)c1C ZINC000738063744 600299098 /nfs/dbraw/zinc/29/90/98/600299098.db2.gz IZMQDTQTIAJTOV-UHFFFAOYSA-N -2 3 375.406 2.687 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000584051432 600650924 /nfs/dbraw/zinc/65/09/24/600650924.db2.gz YFJPOCQOKOTEEJ-QGZVFWFLSA-N -2 3 388.445 2.666 20 0 GFADHL O=C([O-])c1ccc2nc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)ccc2c1 ZINC000826461564 607466757 /nfs/dbraw/zinc/46/67/57/607466757.db2.gz AAFRYRZYKVTBQN-AATRIKPKSA-N -2 3 383.371 2.931 20 0 GFADHL O=C([O-])c1ccc2nc(C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)ccc2c1 ZINC000826461564 607466758 /nfs/dbraw/zinc/46/67/58/607466758.db2.gz AAFRYRZYKVTBQN-AATRIKPKSA-N -2 3 383.371 2.931 20 0 GFADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C1CC1 ZINC000826630905 600762830 /nfs/dbraw/zinc/76/28/30/600762830.db2.gz ZOETZXHHKIDQLY-UHFFFAOYSA-N -2 3 380.235 2.753 20 0 GFADHL COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000320704372 600978241 /nfs/dbraw/zinc/97/82/41/600978241.db2.gz QBBJZMXLTCXEAY-UHFFFAOYSA-N -2 3 375.811 2.687 20 0 GFADHL C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828251988 601231373 /nfs/dbraw/zinc/23/13/73/601231373.db2.gz OZUWSBQBZICPJO-PWSUYJOCSA-N -2 3 377.409 2.537 20 0 GFADHL CCN(CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1C ZINC000829714051 601232825 /nfs/dbraw/zinc/23/28/25/601232825.db2.gz XEWHGTZBODXSML-UHFFFAOYSA-N -2 3 398.431 2.776 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)c1F ZINC000833294504 601234492 /nfs/dbraw/zinc/23/44/92/601234492.db2.gz DUVQIWKFDZVCHZ-SUMWQHHRSA-N -2 3 397.399 2.862 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)sc1Br ZINC000129772024 601256550 /nfs/dbraw/zinc/25/65/50/601256550.db2.gz QFEVKTWRTYOZMC-VIFPVBQESA-N -2 3 396.309 2.985 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000827761233 601385117 /nfs/dbraw/zinc/38/51/17/601385117.db2.gz VOOROKBABXBMGL-LLVKDONJSA-N -2 3 379.438 2.855 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c1F ZINC000833294374 601406355 /nfs/dbraw/zinc/40/63/55/601406355.db2.gz RKOFVGHKWZFEQK-UHFFFAOYSA-N -2 3 399.268 2.698 20 0 GFADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000237126970 601463122 /nfs/dbraw/zinc/46/31/22/601463122.db2.gz FAXZSMPEDFVGNG-MRXNPFEDSA-N -2 3 381.226 2.664 20 0 GFADHL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])cc2)CCO1 ZINC000828499642 601847769 /nfs/dbraw/zinc/84/77/69/601847769.db2.gz DPVYAVPIFMIULY-GFCCVEGCSA-N -2 3 394.424 2.550 20 0 GFADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc2F)c1 ZINC000466340170 601855271 /nfs/dbraw/zinc/85/52/71/601855271.db2.gz PUJZTMIQHBKRNO-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1-c1nnn[n-]1 ZINC000826303741 607536161 /nfs/dbraw/zinc/53/61/61/607536161.db2.gz CDIMMEWXIBRQTN-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1-c1nn[n-]n1 ZINC000826303741 607536163 /nfs/dbraw/zinc/53/61/63/607536163.db2.gz CDIMMEWXIBRQTN-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c1-c1nn[n-]n1 ZINC000826304064 607538063 /nfs/dbraw/zinc/53/80/63/607538063.db2.gz URSIYGSPZPGCOF-UHFFFAOYSA-N -2 3 385.449 2.689 20 0 GFADHL C[C@@H]1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C[C@@H](C)C1 ZINC000096833549 602157544 /nfs/dbraw/zinc/15/75/44/602157544.db2.gz KYWBUGFLGWIYLD-YUMQZZPRSA-N -2 3 380.260 2.843 20 0 GFADHL CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000068601943 602157704 /nfs/dbraw/zinc/15/77/04/602157704.db2.gz LQLIYRBTMAUJMT-DTWKUNHWSA-N -2 3 380.260 2.987 20 0 GFADHL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(NC(=O)[O-])ccc3F)ccc21 ZINC000738527657 602653766 /nfs/dbraw/zinc/65/37/66/602653766.db2.gz YMZSKQFSIDHYFY-UHFFFAOYSA-N -2 3 393.396 2.625 20 0 GFADHL O=C([O-])Nc1ccc(C(=O)N2CCN(CCc3cccs3)CC2)c([O-])c1 ZINC000740700077 602854443 /nfs/dbraw/zinc/85/44/43/602854443.db2.gz PSCOPTVJVSUKKS-UHFFFAOYSA-N -2 3 375.450 2.544 20 0 GFADHL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824353038 607694523 /nfs/dbraw/zinc/69/45/23/607694523.db2.gz VGPFZGJUIHKYKK-UHFFFAOYSA-N -2 3 378.845 2.839 20 0 GFADHL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824353038 607694525 /nfs/dbraw/zinc/69/45/25/607694525.db2.gz VGPFZGJUIHKYKK-UHFFFAOYSA-N -2 3 378.845 2.839 20 0 GFADHL Cc1ccc(C(=O)N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000832911724 604708639 /nfs/dbraw/zinc/70/86/39/604708639.db2.gz ZCWAGCYUDNEURM-GOSISDBHSA-N -2 3 388.851 2.938 20 0 GFADHL CCCOc1cccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000829541189 604812939 /nfs/dbraw/zinc/81/29/39/604812939.db2.gz FFZSKMFGTLVCRA-UHFFFAOYSA-N -2 3 399.415 2.973 20 0 GFADHL CC(C)C[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000833484432 605047385 /nfs/dbraw/zinc/04/73/85/605047385.db2.gz OHOFJZADTKLJQF-OAHLLOKOSA-N -2 3 385.482 2.561 20 0 GFADHL CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])CCCCC1 ZINC000833431158 605050203 /nfs/dbraw/zinc/05/02/03/605050203.db2.gz NLRHSDUSDAZYET-UHFFFAOYSA-N -2 3 397.493 2.849 20 0 GFADHL O=C([O-])NC[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000832407186 605415344 /nfs/dbraw/zinc/41/53/44/605415344.db2.gz HCBDAZRAHLCSAS-CYBMUJFWSA-N -2 3 393.237 2.822 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](NC(=O)[O-])C[C@H]3C)cc2)cc(=O)[n-]1 ZINC000830684933 605474382 /nfs/dbraw/zinc/47/43/82/605474382.db2.gz CWUOCAWXBXVUQQ-IAQYHMDHSA-N -2 3 385.424 2.810 20 0 GFADHL O=C([O-])Nc1cc2ccccc2cc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000832828547 605520540 /nfs/dbraw/zinc/52/05/40/605520540.db2.gz HRSPLRCAJWMHPA-UHFFFAOYSA-N -2 3 393.399 2.795 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000821127575 606209935 /nfs/dbraw/zinc/20/99/35/606209935.db2.gz JQJULGNUVLFGGB-UHFFFAOYSA-N -2 3 393.498 2.563 20 0 GFADHL O=C([N-]c1nc(-c2ccsc2)ns1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823375715 606678698 /nfs/dbraw/zinc/67/86/98/606678698.db2.gz HFVFLYVHHCCQBM-UHFFFAOYSA-N -2 3 391.388 2.977 20 0 GFADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000821589321 606751131 /nfs/dbraw/zinc/75/11/31/606751131.db2.gz IZOUEDOSSPZAOL-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)c([O-])c1 ZINC000826454009 608122536 /nfs/dbraw/zinc/12/25/36/608122536.db2.gz GXVHOUZTNQPKSR-UHFFFAOYSA-N -2 3 378.161 2.726 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000825643049 609525880 /nfs/dbraw/zinc/52/58/80/609525880.db2.gz GUHGHYBNTDFYTH-UHFFFAOYSA-N -2 3 397.819 2.859 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000825643049 609525882 /nfs/dbraw/zinc/52/58/82/609525882.db2.gz GUHGHYBNTDFYTH-UHFFFAOYSA-N -2 3 397.819 2.859 20 0 GFADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493143 609531214 /nfs/dbraw/zinc/53/12/14/609531214.db2.gz VMYCUNNQSXOCQX-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493143 609531215 /nfs/dbraw/zinc/53/12/15/609531215.db2.gz VMYCUNNQSXOCQX-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1-c1nn[n-]n1 ZINC000826299712 660452420 /nfs/dbraw/zinc/45/24/20/660452420.db2.gz RCVDMGNKXNNMEO-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000837291130 660982985 /nfs/dbraw/zinc/98/29/85/660982985.db2.gz HPWXHCVGFRVJOD-MRVPVSSYSA-N -2 3 398.264 2.559 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1F ZINC000133236097 654957558 /nfs/dbraw/zinc/95/75/58/654957558.db2.gz XFBKIGWIGTYEJH-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cc(Br)ccc1F ZINC000103059390 655066400 /nfs/dbraw/zinc/06/64/00/655066400.db2.gz GKIOFTCKSVTLNN-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000275048314 655213978 /nfs/dbraw/zinc/21/39/78/655213978.db2.gz WOXVNHQIJKVMCK-QMMMGPOBSA-N -2 3 398.250 2.519 20 0 GFADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)sc1C ZINC000185044829 655362011 /nfs/dbraw/zinc/36/20/11/655362011.db2.gz UBLBJQDTLUFOFK-UHFFFAOYSA-N -2 3 390.433 2.950 20 0 GFADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCCCC1 ZINC000232971875 655424111 /nfs/dbraw/zinc/42/41/11/655424111.db2.gz NJBHWMXZEWDONF-UHFFFAOYSA-N -2 3 380.260 2.989 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c(F)cc1Br ZINC000575151175 655436329 /nfs/dbraw/zinc/43/63/29/655436329.db2.gz YDRGIBHPLBMZDR-VIFPVBQESA-N -2 3 382.251 2.818 20 0 GFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000262334106 655445095 /nfs/dbraw/zinc/44/50/95/655445095.db2.gz WIIGSKVQZPSGFF-VIFPVBQESA-N -2 3 387.351 2.750 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]Cc2ccsc2)s1 ZINC000761259884 656005745 /nfs/dbraw/zinc/00/57/45/656005745.db2.gz PJYUFSDSFPHVDW-UHFFFAOYSA-N -2 3 382.282 2.749 20 0 GFADHL C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761263526 656006016 /nfs/dbraw/zinc/00/60/16/656006016.db2.gz OTRRGBBTBGSNOI-IINYFYTJSA-N -2 3 377.409 2.537 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)s1 ZINC000776500846 656748105 /nfs/dbraw/zinc/74/81/05/656748105.db2.gz RHAIPXXVNOVDQS-NSHDSACASA-N -2 3 380.369 2.575 20 0 GFADHL C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000794841609 658623107 /nfs/dbraw/zinc/62/31/07/658623107.db2.gz UWICODBZHNWJKK-BDAKNGLRSA-N -2 3 382.265 2.643 20 0 GFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000798409033 659099854 /nfs/dbraw/zinc/09/98/54/659099854.db2.gz ONCFFCSPASZYSD-SCZZXKLOSA-N -2 3 382.251 2.756 20 0 GFADHL CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)[C@@H]2CCO[C@H]21 ZINC000844896896 661447172 /nfs/dbraw/zinc/44/71/72/661447172.db2.gz ZKIQFGILBLHSEF-ZEGGKSINSA-N -2 3 394.276 2.783 20 0 GFADHL CSc1ccccc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852734454 661872705 /nfs/dbraw/zinc/87/27/05/661872705.db2.gz BIBVYMWIBJCTBB-AAEUAGOBSA-N -2 3 376.400 2.505 20 0 GFADHL CC(C)OC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000863418954 662329340 /nfs/dbraw/zinc/32/93/40/662329340.db2.gz LLRDGBDMHTVQKL-JTQLQIEISA-N -2 3 389.779 2.515 20 0 GFADHL C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000871917699 662741791 /nfs/dbraw/zinc/74/17/91/662741791.db2.gz NLOFJZDTUIFDDE-DTWKUNHWSA-N -2 3 382.265 2.785 20 0 GFADHL Cc1[n-]n(-c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(=O)c1C(C)C ZINC000899353389 663684287 /nfs/dbraw/zinc/68/42/87/663684287.db2.gz YRUNZVKLDGTCBD-AWEZNQCLSA-N -2 3 378.479 2.939 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(=O)[O-])c1Cl ZINC000906000207 663906720 /nfs/dbraw/zinc/90/67/20/663906720.db2.gz HRKHYJIJPFPLBI-ONGXEEELSA-N -2 3 382.265 2.602 20 0 GFADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000923156094 664623117 /nfs/dbraw/zinc/62/31/17/664623117.db2.gz YKJXPFNIDBCSHL-NXEZZACHSA-N -2 3 393.237 2.616 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1Br ZINC000398174684 677412310 /nfs/dbraw/zinc/41/23/10/677412310.db2.gz IUBTWRLYARBYET-SNVBAGLBSA-N -2 3 398.225 2.922 20 0 GFADHL O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1)[C@H]1CCCO1 ZINC000555530640 450599912 /nfs/dbraw/zinc/59/99/12/450599912.db2.gz QHOHWXIXXOPWLV-CQSZACIVSA-N -2 3 396.852 2.964 20 0 GFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000020302038 551115576 /nfs/dbraw/zinc/11/55/76/551115576.db2.gz LKDRJEYASUPKEB-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1F ZINC000123846655 551308839 /nfs/dbraw/zinc/30/88/39/551308839.db2.gz YCGNDSUWJXQSBU-UHFFFAOYSA-N -2 3 390.433 2.836 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1cccs1 ZINC000129757392 551359828 /nfs/dbraw/zinc/35/98/28/551359828.db2.gz HWIUVOLUQVNWPG-NSHDSACASA-N -2 3 394.243 2.754 20 0 GFADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135329148 551387165 /nfs/dbraw/zinc/38/71/65/551387165.db2.gz UCVOSJXSVDKBCJ-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL COc1nc([N-]C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)n[n-]1 ZINC000182982877 552298178 /nfs/dbraw/zinc/29/81/78/552298178.db2.gz BLRNCAPRHDBNRD-UHFFFAOYSA-N -2 3 384.179 2.939 20 0 GFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2nc3ccccc3s2)c1 ZINC000184880406 552346528 /nfs/dbraw/zinc/34/65/28/552346528.db2.gz ZNHZCUHXQYXXEQ-UHFFFAOYSA-N -2 3 380.422 2.921 20 0 GFADHL CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)ccc1F ZINC000184938386 552348124 /nfs/dbraw/zinc/34/81/24/552348124.db2.gz XPRXIFHMVHMKPC-UHFFFAOYSA-N -2 3 378.303 2.572 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230102669 553064173 /nfs/dbraw/zinc/06/41/73/553064173.db2.gz ZSEXOOIZRPJAKZ-DGCLKSJQSA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCCC2)c1 ZINC000237963824 553084648 /nfs/dbraw/zinc/08/46/48/553084648.db2.gz ABUIUEDCGFOCRE-CYBMUJFWSA-N -2 3 384.479 2.545 20 0 GFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000261876391 553161671 /nfs/dbraw/zinc/16/16/71/553161671.db2.gz ZTHHHGZXVWNTFC-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000262415196 553170493 /nfs/dbraw/zinc/17/04/93/553170493.db2.gz MATUBZDIDQENQJ-JTQLQIEISA-N -2 3 398.250 2.519 20 0 GFADHL O=C([O-])c1ccc(Br)cc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000519681653 564585767 /nfs/dbraw/zinc/58/57/67/564585767.db2.gz WMDWOXFMRCVXSG-UHFFFAOYSA-N -2 3 376.150 2.841 20 0 GFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380903262 563515121 /nfs/dbraw/zinc/51/51/21/563515121.db2.gz GMPBMEORARLJQG-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL CC[C@H](CS(=O)(=O)[N-]c1ccc(Cc2nc(C(=O)[O-])cs2)cc1)OC ZINC000421145227 563297807 /nfs/dbraw/zinc/29/78/07/563297807.db2.gz COCBSLREKMYUJI-CYBMUJFWSA-N -2 3 384.479 2.599 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H]1CCOC2(CCC2)C1 ZINC000372259952 563300374 /nfs/dbraw/zinc/30/03/74/563300374.db2.gz DZIFGBPKEXXKTO-HZMBPMFUSA-N -2 3 391.848 2.560 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H]1CCOC2(CCC2)C1 ZINC000372268652 563300723 /nfs/dbraw/zinc/30/07/23/563300723.db2.gz REMRUIJKUISBEL-HZMBPMFUSA-N -2 3 391.848 2.560 20 0 GFADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000297232076 563320428 /nfs/dbraw/zinc/32/04/28/563320428.db2.gz PATGKPQDKPBYKN-QWRGUYRKSA-N -2 3 380.388 2.802 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000424389982 563378009 /nfs/dbraw/zinc/37/80/09/563378009.db2.gz IXXKZRXWTDFKSF-LLVKDONJSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000309748401 563434703 /nfs/dbraw/zinc/43/47/03/563434703.db2.gz YLXIHRMJOKODMV-ONGXEEELSA-N -2 3 376.818 2.560 20 0 GFADHL CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000322312535 563449842 /nfs/dbraw/zinc/44/98/42/563449842.db2.gz YLSNQGWUPYSARQ-SECBINFHSA-N -2 3 381.903 2.857 20 0 GFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)c1Cl ZINC000322846166 563450964 /nfs/dbraw/zinc/45/09/64/563450964.db2.gz MWKIFLXSMUILOZ-UHFFFAOYSA-N -2 3 382.265 2.522 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000324106025 563451340 /nfs/dbraw/zinc/45/13/40/563451340.db2.gz DEBZSNRHDCLJRL-AWEZNQCLSA-N -2 3 390.244 2.673 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)CC1CC1 ZINC000405244232 563538963 /nfs/dbraw/zinc/53/89/63/563538963.db2.gz YKPCNUAGDZJJQG-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL O=S(=O)([N-]Cc1nnc(C(F)(F)F)[n-]1)c1c(Cl)cc(F)cc1Cl ZINC000435438289 563651049 /nfs/dbraw/zinc/65/10/49/563651049.db2.gz OXSLNORVGGSBHD-UHFFFAOYSA-N -2 3 393.149 2.748 20 0 GFADHL O=S(=O)([N-]Cc1n[n-]c(C(F)(F)F)n1)c1c(Cl)cc(F)cc1Cl ZINC000435438289 563651050 /nfs/dbraw/zinc/65/10/50/563651050.db2.gz OXSLNORVGGSBHD-UHFFFAOYSA-N -2 3 393.149 2.748 20 0 GFADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])CC1 ZINC000436473934 563671394 /nfs/dbraw/zinc/67/13/94/563671394.db2.gz AQVXVPLJPXKTKY-UHFFFAOYSA-N -2 3 375.830 2.574 20 0 GFADHL CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000471117660 564185363 /nfs/dbraw/zinc/18/53/63/564185363.db2.gz WLBOARNKNVVRDJ-UHFFFAOYSA-N -2 3 376.459 2.872 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)c(OC)c2)c1 ZINC000538298631 564187533 /nfs/dbraw/zinc/18/75/33/564187533.db2.gz OZCPWJSEVRGWLM-UHFFFAOYSA-N -2 3 388.239 2.973 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000563527502 564194984 /nfs/dbraw/zinc/19/49/84/564194984.db2.gz MUSDTTXEENBWCB-SMDDNHRTSA-N -2 3 383.800 2.863 20 0 GFADHL Cc1csc(C2([N-]S(=O)(=O)c3ccc(CC(=O)[O-])c(F)c3)CCC2)n1 ZINC000567805649 564390204 /nfs/dbraw/zinc/39/02/04/564390204.db2.gz QKNBHJCWMSKFTH-UHFFFAOYSA-N -2 3 384.454 2.575 20 0 GFADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1OC)C(=O)[O-] ZINC000568258781 564411253 /nfs/dbraw/zinc/41/12/53/564411253.db2.gz SJGWGRCNMIFVDX-JTQLQIEISA-N -2 3 398.250 2.519 20 0 GFADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000479281110 564434463 /nfs/dbraw/zinc/43/44/63/564434463.db2.gz MCCUKSBSBDZIHH-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000569092290 564449250 /nfs/dbraw/zinc/44/92/50/564449250.db2.gz IKCOXNZGAKCRIK-SFYZADRCSA-N -2 3 382.663 2.634 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCC2(CC(=O)[O-])CCCCC2)s1 ZINC000514657442 564452361 /nfs/dbraw/zinc/45/23/61/564452361.db2.gz UGEPXWUGPCVTNO-UHFFFAOYSA-N -2 3 389.495 2.628 20 0 GFADHL CC(C)c1nc(S(=O)(=O)[N-]Cc2c(C(=O)[O-])sc3ccsc32)cn1C ZINC000570088309 564490395 /nfs/dbraw/zinc/49/03/95/564490395.db2.gz DQZJTYQLOVWURU-UHFFFAOYSA-N -2 3 399.519 2.996 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000547565750 564495020 /nfs/dbraw/zinc/49/50/20/564495020.db2.gz QAYGVSSWWQKDFB-GFCCVEGCSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000547579036 564497101 /nfs/dbraw/zinc/49/71/01/564497101.db2.gz FGBPNFCLUPJIOS-CYBMUJFWSA-N -2 3 393.223 2.502 20 0 GFADHL Cc1cc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])ccc1Cl ZINC000547577757 564497566 /nfs/dbraw/zinc/49/75/66/564497566.db2.gz ZOOWXUHSNYQLLF-LBPRGKRZSA-N -2 3 390.826 2.722 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)Cc1ccccn1 ZINC000516251352 564497690 /nfs/dbraw/zinc/49/76/90/564497690.db2.gz HUSCWSVLQJAJAD-JTQLQIEISA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000547876258 564514972 /nfs/dbraw/zinc/51/49/72/564514972.db2.gz KTMYSSZCTLZTHE-MGCOHNPYSA-N -2 3 394.262 2.758 20 0 GFADHL Cc1nc(CCC[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)sc1C(=O)[O-] ZINC000547876663 564515435 /nfs/dbraw/zinc/51/54/35/564515435.db2.gz HJMFOSMMUZOQEM-UHFFFAOYSA-N -2 3 392.861 2.853 20 0 GFADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)CCOC(C)C ZINC000547932829 564522794 /nfs/dbraw/zinc/52/27/94/564522794.db2.gz KEPDJPIXBBJSDO-UHFFFAOYSA-N -2 3 380.260 2.622 20 0 GFADHL O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000547939807 564524552 /nfs/dbraw/zinc/52/45/52/564524552.db2.gz VTFGLDPIAAEWEC-CYBMUJFWSA-N -2 3 393.223 2.502 20 0 GFADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000548193443 564535084 /nfs/dbraw/zinc/53/50/84/564535084.db2.gz PSSNWKRPLZHNLG-JOYOIKCWSA-N -2 3 375.830 2.512 20 0 GFADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548241180 564541466 /nfs/dbraw/zinc/54/14/66/564541466.db2.gz KFSJKOOEOISKMA-ZDUSSCGKSA-N -2 3 393.770 2.732 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccsc1 ZINC000548261483 564544908 /nfs/dbraw/zinc/54/49/08/564544908.db2.gz QPKOCEIKUMWZPV-NSHDSACASA-N -2 3 394.243 2.754 20 0 GFADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000518110595 564546850 /nfs/dbraw/zinc/54/68/50/564546850.db2.gz INKSXXXJDOUWOL-ZYHUDNBSSA-N -2 3 380.388 2.802 20 0 GFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000548291087 564547487 /nfs/dbraw/zinc/54/74/87/564547487.db2.gz JNSDMYDNWBDRCF-QMMMGPOBSA-N -2 3 382.251 2.756 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@](C)(OC)C1(C)C ZINC000518526278 564556107 /nfs/dbraw/zinc/55/61/07/564556107.db2.gz TVWHREWFGVPPRK-LRDDRELGSA-N -2 3 391.873 2.529 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c(Cl)c1 ZINC000548529596 564556519 /nfs/dbraw/zinc/55/65/19/564556519.db2.gz SUNRBXHTBXBLQB-NSHDSACASA-N -2 3 391.873 2.542 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000571755744 564565709 /nfs/dbraw/zinc/56/57/09/564565709.db2.gz NCUIDTPNTNJATH-PRHODGIISA-N -2 3 382.251 2.612 20 0 GFADHL CC(C)(CCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000548768633 564574611 /nfs/dbraw/zinc/57/46/11/564574611.db2.gz PXTBOEQMPMKJGZ-UHFFFAOYSA-N -2 3 387.351 2.894 20 0 GFADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-])C1CC1 ZINC000548867584 564578416 /nfs/dbraw/zinc/57/84/16/564578416.db2.gz PTPWCVFAVFAASW-KRTXAFLBSA-N -2 3 396.690 2.880 20 0 GFADHL COc1ccc([C@@H]([N-]S(=O)(=O)c2ccccc2SC)C(=O)[O-])cc1F ZINC000520685555 564610401 /nfs/dbraw/zinc/61/04/01/564610401.db2.gz AGVHMGCRYYWDJD-OAHLLOKOSA-N -2 3 385.438 2.660 20 0 GFADHL C[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]1C(=O)[O-] ZINC000521610792 564631572 /nfs/dbraw/zinc/63/15/72/564631572.db2.gz SMCASMDWYHNVDQ-RFAUZJTJSA-N -2 3 393.237 2.616 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000551915177 564668747 /nfs/dbraw/zinc/66/87/47/564668747.db2.gz DBPQPYBVLKQIQL-UHFFFAOYSA-N -2 3 382.663 2.636 20 0 GFADHL C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(Br)cc1 ZINC000551999086 564672331 /nfs/dbraw/zinc/67/23/31/564672331.db2.gz GILATSNQNPRQDP-TVQRCGJNSA-N -2 3 388.239 2.782 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(SC)cc2)s1 ZINC000579469460 564748415 /nfs/dbraw/zinc/74/84/15/564748415.db2.gz FKSBRRZRTRAQRO-LBPRGKRZSA-N -2 3 386.520 2.922 20 0 GFADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(=O)[O-] ZINC000490882303 564782860 /nfs/dbraw/zinc/78/28/60/564782860.db2.gz FCONHLLNCVEKMQ-HNNXBMFYSA-N -2 3 375.874 2.906 20 0 GFADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000581499964 564805623 /nfs/dbraw/zinc/80/56/23/564805623.db2.gz YRINGGGIFFYXPN-MRVPVSSYSA-N -2 3 398.250 2.519 20 0 GFADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCCOc2c(Cl)cccc21 ZINC000581605750 564809961 /nfs/dbraw/zinc/80/99/61/564809961.db2.gz WHQBPVVOTDQJFZ-SNVBAGLBSA-N -2 3 388.854 2.687 20 0 GFADHL CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000583022107 564872655 /nfs/dbraw/zinc/87/26/55/564872655.db2.gz UUNFTCWNYXVDAH-UFBFGSQYSA-N -2 3 390.870 2.549 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC000583906673 564912861 /nfs/dbraw/zinc/91/28/61/564912861.db2.gz CZEHWYANTDFWGA-JTQLQIEISA-N -2 3 398.359 2.714 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])s1 ZINC000584051015 564918119 /nfs/dbraw/zinc/91/81/19/564918119.db2.gz CGPGMDRALZZUOS-ZFWWWQNUSA-N -2 3 380.491 2.693 20 0 GFADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000533008092 564951637 /nfs/dbraw/zinc/95/16/37/564951637.db2.gz NCCUUUDGZHDAAX-SECBINFHSA-N -2 3 381.226 2.616 20 0 GFADHL Cc1nc([N-]C(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)n[nH]1 ZINC000502690025 565003458 /nfs/dbraw/zinc/00/34/58/565003458.db2.gz PRKVXDXDENYOQR-UHFFFAOYSA-N -2 3 377.451 2.536 20 0 GFADHL COc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000537402672 565058266 /nfs/dbraw/zinc/05/82/66/565058266.db2.gz IKJMSVKJHOFTFU-CQSZACIVSA-N -2 3 380.194 2.719 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1OCC(=O)[O-] ZINC000591683637 565236584 /nfs/dbraw/zinc/23/65/84/565236584.db2.gz PVZBYWDYTNOOPT-UHFFFAOYSA-N -2 3 375.324 2.677 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c(Cl)c1Cl ZINC000663255440 565403921 /nfs/dbraw/zinc/40/39/21/565403921.db2.gz RMLBZPXWKWGUNC-SECBINFHSA-N -2 3 382.265 2.781 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CCC1 ZINC000663257116 565404397 /nfs/dbraw/zinc/40/43/97/565404397.db2.gz XVBBDUSRPBJVPK-SNVBAGLBSA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000663293495 565407894 /nfs/dbraw/zinc/40/78/94/565407894.db2.gz IGJRNDYSTNBCEH-MRVPVSSYSA-N -2 3 382.335 2.629 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000650421454 565820017 /nfs/dbraw/zinc/82/00/17/565820017.db2.gz GRAJKXBSXUUYMM-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000629295421 565837520 /nfs/dbraw/zinc/83/75/20/565837520.db2.gz OGQMGNVJNHTJJU-VIFPVBQESA-N -2 3 392.271 2.765 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)c(F)cc1F ZINC000681567181 566112596 /nfs/dbraw/zinc/11/25/96/566112596.db2.gz KMIMOHBTPLXWBR-AWEZNQCLSA-N -2 3 377.315 2.656 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(F)c1 ZINC000682897069 566175994 /nfs/dbraw/zinc/17/59/94/566175994.db2.gz ZPEUEDGOUYHFNV-CQSZACIVSA-N -2 3 391.779 2.731 20 0 GFADHL O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738346298 598842482 /nfs/dbraw/zinc/84/24/82/598842482.db2.gz XWCLTHSTEPJNPL-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738346298 598842484 /nfs/dbraw/zinc/84/24/84/598842484.db2.gz XWCLTHSTEPJNPL-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737280421 598844040 /nfs/dbraw/zinc/84/40/40/598844040.db2.gz VHCWOZKVHJHHJR-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737280421 598844041 /nfs/dbraw/zinc/84/40/41/598844041.db2.gz VHCWOZKVHJHHJR-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736503673 598968342 /nfs/dbraw/zinc/96/83/42/598968342.db2.gz MUIOIXSVEYQZKB-UHFFFAOYSA-N -2 3 397.464 2.736 20 0 GFADHL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736503673 598968346 /nfs/dbraw/zinc/96/83/46/598968346.db2.gz MUIOIXSVEYQZKB-UHFFFAOYSA-N -2 3 397.464 2.736 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736444961 598977842 /nfs/dbraw/zinc/97/78/42/598977842.db2.gz IJWCAMMMHVMWEB-CYBMUJFWSA-N -2 3 393.513 2.977 20 0 GFADHL CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736444961 598977843 /nfs/dbraw/zinc/97/78/43/598977843.db2.gz IJWCAMMMHVMWEB-CYBMUJFWSA-N -2 3 393.513 2.977 20 0 GFADHL O=S(=O)([N-]c1nc2ccsc2s1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738338813 599286685 /nfs/dbraw/zinc/28/66/85/599286685.db2.gz JQPDJWJLRPPZKJ-UHFFFAOYSA-N -2 3 398.882 2.992 20 0 GFADHL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736665070 598283232 /nfs/dbraw/zinc/28/32/32/598283232.db2.gz FERAMQMJNGGDDX-UHFFFAOYSA-N -2 3 396.885 2.828 20 0 GFADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Br)c1[O-] ZINC000738168214 598409601 /nfs/dbraw/zinc/40/96/01/598409601.db2.gz WBTPSSAHAFRVBL-UHFFFAOYSA-N -2 3 378.161 2.726 20 0 GFADHL O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Br)c1[O-] ZINC000738168214 598409603 /nfs/dbraw/zinc/40/96/03/598409603.db2.gz WBTPSSAHAFRVBL-UHFFFAOYSA-N -2 3 378.161 2.726 20 0 GFADHL C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC000736230770 598481226 /nfs/dbraw/zinc/48/12/26/598481226.db2.gz VCURQWVCHVBOGJ-QWHCGFSZSA-N -2 3 391.497 2.524 20 0 GFADHL C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000736230770 598481228 /nfs/dbraw/zinc/48/12/28/598481228.db2.gz VCURQWVCHVBOGJ-QWHCGFSZSA-N -2 3 391.497 2.524 20 0 GFADHL O=C([O-])c1ccc(F)c([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)c1 ZINC000740141021 599812824 /nfs/dbraw/zinc/81/28/24/599812824.db2.gz VVBDWXKSLNSQDY-UHFFFAOYSA-N -2 3 379.337 2.834 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000737211086 599853296 /nfs/dbraw/zinc/85/32/96/599853296.db2.gz VUIYQIYNPNOENT-UHFFFAOYSA-N -3 3 393.417 2.602 20 0 GFADHL O=C([O-])CCSCc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000739754455 600108298 /nfs/dbraw/zinc/10/82/98/600108298.db2.gz QVPQRBUKLIVXIF-UHFFFAOYSA-N -2 3 399.428 2.922 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c([O-])c1 ZINC000738514361 600328595 /nfs/dbraw/zinc/32/85/95/600328595.db2.gz DEATYKXFFBGPCS-KRWDZBQOSA-N -2 3 391.807 2.843 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000115680277 600482384 /nfs/dbraw/zinc/48/23/84/600482384.db2.gz VVSNRCGCBJFNIP-UHFFFAOYSA-N -2 3 385.825 2.864 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1C(=O)[O-] ZINC000055585781 600542397 /nfs/dbraw/zinc/54/23/97/600542397.db2.gz AVRLVSTUNSOGNR-UHFFFAOYSA-N -2 3 399.428 2.960 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)o1 ZINC000833323105 600783625 /nfs/dbraw/zinc/78/36/25/600783625.db2.gz CNHMYFAOIWJMMN-MRVPVSSYSA-N -2 3 378.189 2.697 20 0 GFADHL Cc1nc(C)c(CCC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c(=O)[n-]1 ZINC000832994926 600797091 /nfs/dbraw/zinc/79/70/91/600797091.db2.gz RGMPLFHDUUUPPO-UHFFFAOYSA-N -2 3 393.390 2.513 20 0 GFADHL COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000735268948 600816457 /nfs/dbraw/zinc/81/64/57/600816457.db2.gz LNMHCELUJAROFH-UHFFFAOYSA-N -2 3 392.433 2.692 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)ccc1C(=O)[O-] ZINC000738477052 600892017 /nfs/dbraw/zinc/89/20/17/600892017.db2.gz DLAAEPOTPFOCJI-UHFFFAOYSA-N -2 3 392.824 2.728 20 0 GFADHL C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000827374394 601212273 /nfs/dbraw/zinc/21/22/73/601212273.db2.gz HOTIRLOTXIDTBK-GFCCVEGCSA-N -2 3 376.840 2.820 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc(-n3cccn3)c2)cc1C(=O)[O-] ZINC000833027614 601224246 /nfs/dbraw/zinc/22/42/46/601224246.db2.gz HYBAYLKQYYDWSV-LLVKDONJSA-N -2 3 375.406 2.511 20 0 GFADHL C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827524612 601232599 /nfs/dbraw/zinc/23/25/99/601232599.db2.gz IGMISDPMLFKHOG-SECBINFHSA-N -2 3 389.351 2.548 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)c1F ZINC000833293969 601233083 /nfs/dbraw/zinc/23/30/83/601233083.db2.gz JVYSAEJGSZFHFB-UHFFFAOYSA-N -2 3 379.743 2.934 20 0 GFADHL Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C2CC2)n1 ZINC000832988714 601238565 /nfs/dbraw/zinc/23/85/65/601238565.db2.gz DYNNSXQSBGZQLW-CYBMUJFWSA-N -2 3 388.417 2.858 20 0 GFADHL C[C@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@@H]1C(=O)[O-] ZINC000828465415 601517378 /nfs/dbraw/zinc/51/73/78/601517378.db2.gz XUOCIHMEXNOYAU-GWCFXTLKSA-N -2 3 387.436 2.943 20 0 GFADHL O=C([O-])c1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000833316198 601722562 /nfs/dbraw/zinc/72/25/62/601722562.db2.gz UMGXUGGPQXOPAQ-INIZCTEOSA-N -2 3 387.363 2.578 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccccc2-n2cccn2)cc1C(=O)[O-] ZINC000833029024 601964507 /nfs/dbraw/zinc/96/45/07/601964507.db2.gz XJMAQQQALUDRAR-LLVKDONJSA-N -2 3 375.406 2.511 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000832852826 601984851 /nfs/dbraw/zinc/98/48/51/601984851.db2.gz LUROLLRAJDOPTL-UHFFFAOYSA-N -3 3 393.417 2.738 20 0 GFADHL CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313769 602144021 /nfs/dbraw/zinc/14/40/21/602144021.db2.gz KHEUYBQYFLEJGG-DTWKUNHWSA-N -2 3 380.260 2.987 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCN(C(=O)[O-])C2)c1Cl ZINC000740131539 602457061 /nfs/dbraw/zinc/45/70/61/602457061.db2.gz FSEYTQHGPSBEOS-JTQLQIEISA-N -2 3 381.281 2.970 20 0 GFADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000738862176 602501944 /nfs/dbraw/zinc/50/19/44/602501944.db2.gz LFHOSOOXOKZDKK-UHFFFAOYSA-N -2 3 395.412 2.855 20 0 GFADHL O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000832485038 603130501 /nfs/dbraw/zinc/13/05/01/603130501.db2.gz ZTXJFVJBJIRIDU-KWQFWETISA-N -2 3 384.351 2.559 20 0 GFADHL O=C([O-])c1cccc(NC2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)c1 ZINC000833332071 604781730 /nfs/dbraw/zinc/78/17/30/604781730.db2.gz MGHVECYLLWFXIA-UHFFFAOYSA-N -2 3 384.388 2.536 20 0 GFADHL CC(C)c1nc(C2([N-]S(=O)(=O)c3ccccc3C(=O)[O-])CCCC2)no1 ZINC000572360124 605042699 /nfs/dbraw/zinc/04/26/99/605042699.db2.gz GZZTWALQMHMJOR-UHFFFAOYSA-N -2 3 379.438 2.639 20 0 GFADHL CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)cc3C(=O)[O-])ccc21 ZINC000833393392 605187109 /nfs/dbraw/zinc/18/71/09/605187109.db2.gz KJEAZJPXNVJWSD-UHFFFAOYSA-N -2 3 388.445 2.793 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)CCCCCC2)no1 ZINC000833755602 605198596 /nfs/dbraw/zinc/19/85/96/605198596.db2.gz UBDBFNDFOMYOCW-UHFFFAOYSA-N -2 3 397.428 2.743 20 0 GFADHL Cc1nc(C)c(CC(=O)O[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])c(=O)[n-]1 ZINC000833754881 605278681 /nfs/dbraw/zinc/27/86/81/605278681.db2.gz NHCCLYBNTWLXED-CQSZACIVSA-N -2 3 398.337 2.599 20 0 GFADHL C[C@@]1(C(=O)[O-])CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000833554163 605718706 /nfs/dbraw/zinc/71/87/06/605718706.db2.gz QRFUAGILHMUMCN-PGRDOPGGSA-N -2 3 396.443 2.577 20 0 GFADHL CC[C@](C)(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833636954 605755816 /nfs/dbraw/zinc/75/58/16/605755816.db2.gz FULLVJKMLYIQSS-UWJYYQICSA-N -2 3 384.432 2.623 20 0 GFADHL CC[C@@](C)(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833636952 605756251 /nfs/dbraw/zinc/75/62/51/605756251.db2.gz FULLVJKMLYIQSS-LAUBAEHRSA-N -2 3 384.432 2.623 20 0 GFADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)cn1 ZINC000834278261 606027839 /nfs/dbraw/zinc/02/78/39/606027839.db2.gz LQLKDBKWPYHJHJ-UHFFFAOYSA-N -2 3 390.812 2.915 20 0 GFADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820074024 606395063 /nfs/dbraw/zinc/39/50/63/606395063.db2.gz YJWZASBITVUZTB-UHFFFAOYSA-N -2 3 399.904 2.932 20 0 GFADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820074024 606395064 /nfs/dbraw/zinc/39/50/64/606395064.db2.gz YJWZASBITVUZTB-UHFFFAOYSA-N -2 3 399.904 2.932 20 0 GFADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000822009969 606433946 /nfs/dbraw/zinc/43/39/46/606433946.db2.gz IKYQHAQKDLDUGW-UHFFFAOYSA-N -2 3 388.815 2.514 20 0 GFADHL O=S(=O)([N-]c1nnc(C2CCCCC2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000823588909 606469558 /nfs/dbraw/zinc/46/95/58/606469558.db2.gz FGPGTTIHUBATLG-UHFFFAOYSA-N -2 3 391.482 2.567 20 0 GFADHL O=S(=O)([N-]c1nnc(C2CCCCC2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000823588909 606469559 /nfs/dbraw/zinc/46/95/59/606469559.db2.gz FGPGTTIHUBATLG-UHFFFAOYSA-N -2 3 391.482 2.567 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821043985 606747618 /nfs/dbraw/zinc/74/76/18/606747618.db2.gz WTXOHBFWTZZPIJ-INIZCTEOSA-N -2 3 393.513 2.665 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821043985 606747619 /nfs/dbraw/zinc/74/76/19/606747619.db2.gz WTXOHBFWTZZPIJ-INIZCTEOSA-N -2 3 393.513 2.665 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000826278943 609311530 /nfs/dbraw/zinc/31/15/30/609311530.db2.gz ZMVKTRFVYGWJTN-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000826492836 609513017 /nfs/dbraw/zinc/51/30/17/609513017.db2.gz GTLHHJTVNHXRKE-UHFFFAOYSA-N -2 3 385.327 2.566 20 0 GFADHL O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826492836 609513019 /nfs/dbraw/zinc/51/30/19/609513019.db2.gz GTLHHJTVNHXRKE-UHFFFAOYSA-N -2 3 385.327 2.566 20 0 GFADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000825081685 609529820 /nfs/dbraw/zinc/52/98/20/609529820.db2.gz MCBQLDJIZMEYNP-SECBINFHSA-N -2 3 395.876 2.797 20 0 GFADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000825081685 609529822 /nfs/dbraw/zinc/52/98/22/609529822.db2.gz MCBQLDJIZMEYNP-SECBINFHSA-N -2 3 395.876 2.797 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc2n[nH]cc21 ZINC000826271492 609531054 /nfs/dbraw/zinc/53/10/54/609531054.db2.gz UHRWXLZPGHLEJV-UHFFFAOYSA-N -2 3 389.828 2.506 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492888 609531385 /nfs/dbraw/zinc/53/13/85/609531385.db2.gz JRKRNCVIGYOFMA-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492888 609531388 /nfs/dbraw/zinc/53/13/88/609531388.db2.gz JRKRNCVIGYOFMA-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000819088667 660246013 /nfs/dbraw/zinc/24/60/13/660246013.db2.gz DCVUDSKZPCSCAA-XVKPBYJWSA-N -2 3 399.694 2.521 20 0 GFADHL O=C([O-])c1ccc2[nH]c(C[N-]S(=O)(=O)c3c(F)cccc3Cl)nc2c1 ZINC000821238093 660318971 /nfs/dbraw/zinc/31/89/71/660318971.db2.gz RTPZILFWMYDVSF-UHFFFAOYSA-N -2 3 383.788 2.532 20 0 GFADHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000831374252 660708948 /nfs/dbraw/zinc/70/89/48/660708948.db2.gz QMKQQADSWWGECL-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])c(C)o2)sc1Br ZINC000123559946 654759423 /nfs/dbraw/zinc/75/94/23/654759423.db2.gz QDFNTKZXDGKNDN-UHFFFAOYSA-N -2 3 394.268 2.897 20 0 GFADHL O=C(Nc1ccc(Br)cc1[O-])c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000069118709 654973568 /nfs/dbraw/zinc/97/35/68/654973568.db2.gz IFMDLQDJWBLWCS-UHFFFAOYSA-N -2 3 392.234 2.932 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CC1 ZINC000328406483 655386907 /nfs/dbraw/zinc/38/69/07/655386907.db2.gz FTXSVLBXSFYWGH-UHFFFAOYSA-N -2 3 380.260 2.845 20 0 GFADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000580193201 655509836 /nfs/dbraw/zinc/50/98/36/655509836.db2.gz NISXKHLRXOTKSB-NSHDSACASA-N -2 3 382.251 2.756 20 0 GFADHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000702251128 655521703 /nfs/dbraw/zinc/52/17/03/655521703.db2.gz MDKUZYUVRMCFKB-QMMMGPOBSA-N -2 3 380.647 2.554 20 0 GFADHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCO1 ZINC000761320547 656011583 /nfs/dbraw/zinc/01/15/83/656011583.db2.gz HZGIMFRJQKQDRO-RKDXNWHRSA-N -2 3 382.265 2.785 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(Br)s1 ZINC000768055454 656231494 /nfs/dbraw/zinc/23/14/94/656231494.db2.gz KRRHYWVMNTZJGN-UHFFFAOYSA-N -3 3 396.215 2.854 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)Cc1ccc(Cl)cc1 ZINC000776534464 656753843 /nfs/dbraw/zinc/75/38/43/656753843.db2.gz QOKSDDAKANPXGU-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cnc1Cl ZINC000776539841 656754383 /nfs/dbraw/zinc/75/43/83/656754383.db2.gz YQGPSHCTHRZYQS-UHFFFAOYSA-N -2 3 377.205 2.896 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c[n-]1 ZINC000788087211 657649309 /nfs/dbraw/zinc/64/93/09/657649309.db2.gz YVNDIXKKZPQTAW-UHFFFAOYSA-N -2 3 395.384 2.999 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c(=O)[nH]1 ZINC000790405080 657969992 /nfs/dbraw/zinc/96/99/92/657969992.db2.gz STQKPCKQXOXONW-UHFFFAOYSA-N -2 3 377.205 2.901 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cc(Cl)ccc1[O-] ZINC000101652445 551197394 /nfs/dbraw/zinc/19/73/94/551197394.db2.gz KTKMNDOQDGORGV-UHFFFAOYSA-N -2 3 381.262 2.678 20 0 GFADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1cccc(F)c1F ZINC000127255001 551338960 /nfs/dbraw/zinc/33/89/60/551338960.db2.gz NIGLDBBCTXFSMJ-UHFFFAOYSA-N -2 3 378.194 2.911 20 0 GFADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135326138 551387386 /nfs/dbraw/zinc/38/73/86/551387386.db2.gz DJMJSDVVOVTEPK-UHFFFAOYSA-N -2 3 386.470 2.869 20 0 GFADHL CCc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cc1F ZINC000151474579 551414191 /nfs/dbraw/zinc/41/41/91/551414191.db2.gz PVKNIZBWYPFKGR-UHFFFAOYSA-N -2 3 390.433 2.700 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCCC1 ZINC000159058027 551560190 /nfs/dbraw/zinc/56/01/90/551560190.db2.gz NGADRYYGVWCSEV-UHFFFAOYSA-N -2 3 392.518 2.692 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1Cl ZINC000194140097 553012673 /nfs/dbraw/zinc/01/26/73/553012673.db2.gz VXNNTIRPXVNPTJ-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000565489793 564283309 /nfs/dbraw/zinc/28/33/09/564283309.db2.gz COOBIWZCZGWSHS-QMMMGPOBSA-N -2 3 398.250 2.519 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@@H]1CCOC2(CCC2)C1 ZINC000372260041 563300503 /nfs/dbraw/zinc/30/05/03/563300503.db2.gz FWCLKBRQYNQHHT-YGRLFVJLSA-N -2 3 391.848 2.560 20 0 GFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000296858505 563305468 /nfs/dbraw/zinc/30/54/68/563305468.db2.gz DBVSDSAZQHGSMI-ZDUSSCGKSA-N -2 3 393.889 2.677 20 0 GFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000318695667 563444026 /nfs/dbraw/zinc/44/40/26/563444026.db2.gz HSNGZEMZBQGNLJ-MGCOHNPYSA-N -2 3 394.262 2.758 20 0 GFADHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000327543565 563458820 /nfs/dbraw/zinc/45/88/20/563458820.db2.gz RHJGHMOPVGMOQA-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC)CCC(=O)[O-] ZINC000391867051 563525353 /nfs/dbraw/zinc/52/53/53/563525353.db2.gz QVKNRMHIZHXLRB-LLVKDONJSA-N -2 3 394.287 2.770 20 0 GFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000436661620 563676178 /nfs/dbraw/zinc/67/61/78/563676178.db2.gz DLUBNMUVJPCTET-UHFFFAOYSA-N -2 3 386.223 2.742 20 0 GFADHL Cc1cc(Cl)cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])c1[O-] ZINC000436787412 563679691 /nfs/dbraw/zinc/67/96/91/563679691.db2.gz NZLSUFPBJBSPDI-UHFFFAOYSA-N -2 3 384.841 2.562 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@@H](CCSc1ccccc1)C(=O)[O-] ZINC000290713690 563719220 /nfs/dbraw/zinc/71/92/20/563719220.db2.gz UEEXYAZWWLHSKR-LBPRGKRZSA-N -2 3 387.504 2.671 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F)C(F)F ZINC000414333044 563727171 /nfs/dbraw/zinc/72/71/71/563727171.db2.gz VSVGHCQAACXOAI-ZETCQYMHSA-N -2 3 377.287 2.605 20 0 GFADHL O=S(=O)([N-]Cc1nc(-c2ccc([O-])c(F)c2)no1)c1ccc(Cl)s1 ZINC000445474206 563849651 /nfs/dbraw/zinc/84/96/51/563849651.db2.gz PNDVPHNAFZOMHF-UHFFFAOYSA-N -2 3 389.817 2.775 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)sc1C ZINC000539113214 564210321 /nfs/dbraw/zinc/21/03/21/564210321.db2.gz YQKMBEGVSDUIDR-UHFFFAOYSA-N -2 3 378.472 2.676 20 0 GFADHL CCc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)ccc1F ZINC000507645137 564236765 /nfs/dbraw/zinc/23/67/65/564236765.db2.gz PJUBSGBITRBMGW-UHFFFAOYSA-N -2 3 390.433 2.700 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000564854225 564252464 /nfs/dbraw/zinc/25/24/64/564252464.db2.gz KHELTMYLKJRZQQ-YGRLFVJLSA-N -2 3 387.841 2.553 20 0 GFADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000564916932 564256401 /nfs/dbraw/zinc/25/64/01/564256401.db2.gz KJHCYPDDAMCYDC-WCBMZHEXSA-N -2 3 392.380 2.695 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br)C(=O)[O-] ZINC000541909976 564294630 /nfs/dbraw/zinc/29/46/30/564294630.db2.gz JWBRLWDZQKHARF-MRVPVSSYSA-N -2 3 390.177 2.609 20 0 GFADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000541928168 564295374 /nfs/dbraw/zinc/29/53/74/564295374.db2.gz SSVPAFUIUYAUMQ-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000566597477 564333667 /nfs/dbraw/zinc/33/36/67/564333667.db2.gz VANZRYGZKMAAGH-GXFFZTMASA-N -2 3 385.335 2.646 20 0 GFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000543769948 564362987 /nfs/dbraw/zinc/36/29/87/564362987.db2.gz PHRFGKQJYQCTCG-QMMMGPOBSA-N -2 3 382.251 2.756 20 0 GFADHL COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000478578937 564408232 /nfs/dbraw/zinc/40/82/32/564408232.db2.gz HVBABZAGVQXASL-UHFFFAOYSA-N -2 3 387.816 2.973 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])cc1Cl ZINC000547571694 564495836 /nfs/dbraw/zinc/49/58/36/564495836.db2.gz BSEYBUIVSIAQAQ-NSHDSACASA-N -2 3 394.232 2.569 20 0 GFADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)(CC(=O)[O-])C1 ZINC000547571316 564495897 /nfs/dbraw/zinc/49/58/97/564495897.db2.gz UVXAOCZGYYUNGN-YGRLFVJLSA-N -2 3 380.388 2.660 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)Cc1ccccn1 ZINC000516251353 564497647 /nfs/dbraw/zinc/49/76/47/564497647.db2.gz HUSCWSVLQJAJAD-SNVBAGLBSA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000570393084 564503713 /nfs/dbraw/zinc/50/37/13/564503713.db2.gz BFLPGJPTIWZZGN-OCCSQVGLSA-N -2 3 389.788 2.579 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000547933692 564522541 /nfs/dbraw/zinc/52/25/41/564522541.db2.gz VREGCBDUWPTIHZ-GFCCVEGCSA-N -2 3 375.855 2.823 20 0 GFADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000548197763 564534683 /nfs/dbraw/zinc/53/46/83/564534683.db2.gz IYACQMUTPUYLMM-UHFFFAOYSA-N -2 3 378.793 2.681 20 0 GFADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000548197336 564535077 /nfs/dbraw/zinc/53/50/77/564535077.db2.gz OQYODEAPGKWTCI-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1ccccc1Cl ZINC000548199867 564535898 /nfs/dbraw/zinc/53/58/98/564535898.db2.gz NQSBUWAVCLPFTM-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL Cc1nc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)sc1C(=O)[O-] ZINC000548199631 564535929 /nfs/dbraw/zinc/53/59/29/564535929.db2.gz YTMPGGFKELCVGV-UHFFFAOYSA-N -2 3 395.289 2.978 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000548202435 564536049 /nfs/dbraw/zinc/53/60/49/564536049.db2.gz MLGFIQMGSNUGFF-QMMMGPOBSA-N -2 3 390.177 2.609 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CSCC=C(C)C)C(=O)[O-] ZINC000571150194 564537843 /nfs/dbraw/zinc/53/78/43/564537843.db2.gz JZFPUSRPJJWKIL-GFCCVEGCSA-N -2 3 393.914 2.780 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])c(Cl)c1Cl ZINC000548540882 564556936 /nfs/dbraw/zinc/55/69/36/564556936.db2.gz DOXZJOUHIGPTTA-YGRLFVJLSA-N -2 3 382.265 2.924 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000548590820 564564461 /nfs/dbraw/zinc/56/44/61/564564461.db2.gz AGPSNIYVZTZGKP-GFCCVEGCSA-N -2 3 383.413 2.535 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000571857026 564569771 /nfs/dbraw/zinc/56/97/71/564569771.db2.gz DHJGKRYVZOFUSA-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cccs1 ZINC000548769144 564574974 /nfs/dbraw/zinc/57/49/74/564574974.db2.gz QNNXCJCTCYTHJA-JTQLQIEISA-N -2 3 399.343 2.890 20 0 GFADHL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)CCC(F)(F)F)cc1OC(F)F ZINC000550466602 564625941 /nfs/dbraw/zinc/62/59/41/564625941.db2.gz JDXIHAGLHOENRV-UHFFFAOYSA-N -2 3 393.286 2.689 20 0 GFADHL CSc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)[n-]1 ZINC000522123919 564644787 /nfs/dbraw/zinc/64/47/87/564644787.db2.gz BNWVRZOWRYXPQQ-UHFFFAOYSA-N -2 3 395.491 2.641 20 0 GFADHL CSc1n[n-]c(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)n1 ZINC000522123919 564644790 /nfs/dbraw/zinc/64/47/90/564644790.db2.gz BNWVRZOWRYXPQQ-UHFFFAOYSA-N -2 3 395.491 2.641 20 0 GFADHL CSc1nc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)n[n-]1 ZINC000522123919 564644793 /nfs/dbraw/zinc/64/47/93/564644793.db2.gz BNWVRZOWRYXPQQ-UHFFFAOYSA-N -2 3 395.491 2.641 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)sc1C(=O)[O-] ZINC000573740937 564651410 /nfs/dbraw/zinc/65/14/10/564651410.db2.gz RFJYWZBNNMXQSQ-UHFFFAOYSA-N -2 3 386.398 2.709 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c(Cl)cc1F ZINC000551911946 564667738 /nfs/dbraw/zinc/66/77/38/564667738.db2.gz CNBWEHIBWPTQDI-SSDOTTSWSA-N -2 3 377.743 2.719 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)c(F)cc1Br ZINC000574620339 564681871 /nfs/dbraw/zinc/68/18/71/564681871.db2.gz YLCIUPBCJLOLDR-SECBINFHSA-N -2 3 382.251 2.532 20 0 GFADHL COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCC1 ZINC000579349448 564747142 /nfs/dbraw/zinc/74/71/42/564747142.db2.gz MTBCYEXWNXCOQT-UHFFFAOYSA-N -2 3 381.475 2.855 20 0 GFADHL O=C([O-])c1cc([N-]S(=O)(=O)CCOC(F)(F)F)cc(C(F)(F)F)c1 ZINC000580984622 564781852 /nfs/dbraw/zinc/78/18/52/564781852.db2.gz SZCDDGRPFDUKBB-UHFFFAOYSA-N -2 3 381.250 2.682 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000581545819 564807291 /nfs/dbraw/zinc/80/72/91/564807291.db2.gz COIZCLOLNLQCOR-TZMCWYRMSA-N -2 3 387.866 2.908 20 0 GFADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000581542366 564807335 /nfs/dbraw/zinc/80/73/35/564807335.db2.gz KCPAZEGMWAORJJ-NXEZZACHSA-N -2 3 393.237 2.616 20 0 GFADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000581660639 564812998 /nfs/dbraw/zinc/81/29/98/564812998.db2.gz JGBDQTUOLZNYDK-NXEZZACHSA-N -2 3 383.388 2.985 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000556714343 564836425 /nfs/dbraw/zinc/83/64/25/564836425.db2.gz CQGLXNYLPWLNJO-RYUDHWBXSA-N -2 3 393.889 2.533 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000583856493 564909980 /nfs/dbraw/zinc/90/99/80/564909980.db2.gz JMFCHTYLOAFZRY-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000559152520 564925219 /nfs/dbraw/zinc/92/52/19/564925219.db2.gz NZUCUWLMBCOEGN-DZGCQCFKSA-N -2 3 393.864 2.542 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1F ZINC000467938326 564975457 /nfs/dbraw/zinc/97/54/57/564975457.db2.gz MKAGGQJPPXVIBX-UHFFFAOYSA-N -2 3 375.324 2.920 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Br)c2)o1 ZINC000560933843 564980201 /nfs/dbraw/zinc/98/02/01/564980201.db2.gz DDWADQRYAUMAQJ-GFCCVEGCSA-N -2 3 388.239 2.845 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)ccc1[O-] ZINC000534168685 564981531 /nfs/dbraw/zinc/98/15/31/564981531.db2.gz LCNUGVMOBLPGFO-UHFFFAOYSA-N -2 3 375.328 2.565 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H](C)Oc1ccc(C)cc1 ZINC000563075073 565054743 /nfs/dbraw/zinc/05/47/43/565054743.db2.gz JAHSYTAIOXWHKX-NSHDSACASA-N -2 3 385.463 2.509 20 0 GFADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-])C1CC1 ZINC000584666895 565090282 /nfs/dbraw/zinc/09/02/82/565090282.db2.gz NYIJTXUODPNTNC-KRTXAFLBSA-N -2 3 396.690 2.880 20 0 GFADHL C[C@H](CSCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000592449957 565277936 /nfs/dbraw/zinc/27/79/36/565277936.db2.gz YMFINZIKSWAVSH-LLVKDONJSA-N -2 3 386.520 2.542 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c[n-]1 ZINC000618906591 565321984 /nfs/dbraw/zinc/32/19/84/565321984.db2.gz NVTIQPOVBQUQSE-UHFFFAOYSA-N -2 3 378.237 2.835 20 0 GFADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C(F)(F)F ZINC000663293185 565408144 /nfs/dbraw/zinc/40/81/44/565408144.db2.gz CDXMAYUVITXBPG-VIFPVBQESA-N -2 3 391.770 2.942 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2Cl)c1 ZINC000663293522 565408428 /nfs/dbraw/zinc/40/84/28/565408428.db2.gz IZSCVYMSFWMDIO-ZDUSSCGKSA-N -2 3 392.264 2.875 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000650421455 565820228 /nfs/dbraw/zinc/82/02/28/565820228.db2.gz GRAJKXBSXUUYMM-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650421139 565820466 /nfs/dbraw/zinc/82/04/66/565820466.db2.gz JMNUVIWVXNUIBN-RQJHMYQMSA-N -2 3 375.752 2.626 20 0 GFADHL Cc1cc(Br)c(C(=O)[O-])cc1[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000629304586 565839372 /nfs/dbraw/zinc/83/93/72/565839372.db2.gz SLNLOCQYWBYYEA-SECBINFHSA-N -2 3 392.271 2.765 20 0 GFADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nc(C(F)(F)F)co2)o1 ZINC000653840476 565984884 /nfs/dbraw/zinc/98/48/84/565984884.db2.gz VMYSPFWLSIXPEI-UHFFFAOYSA-N -2 3 381.332 2.616 20 0 GFADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-])C1CC1 ZINC000656170218 566109881 /nfs/dbraw/zinc/10/98/81/566109881.db2.gz VEYZGYSCEFXNIG-NWDGAFQWSA-N -2 3 382.265 2.540 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1cc(F)ccc1F ZINC000681566550 566111971 /nfs/dbraw/zinc/11/19/71/566111971.db2.gz FRUXNZZHUGWCRA-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000681572860 566112957 /nfs/dbraw/zinc/11/29/57/566112957.db2.gz NTKZEMIZOMZKEX-NSHDSACASA-N -2 3 388.898 2.896 20 0 GFADHL CSCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737181711 598845178 /nfs/dbraw/zinc/84/51/78/598845178.db2.gz KKLSLKCFRQSNEH-UHFFFAOYSA-N -2 3 379.442 2.670 20 0 GFADHL CSCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737181711 598845180 /nfs/dbraw/zinc/84/51/80/598845180.db2.gz KKLSLKCFRQSNEH-UHFFFAOYSA-N -2 3 379.442 2.670 20 0 GFADHL Cc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)cc2o1 ZINC000737486434 598867541 /nfs/dbraw/zinc/86/75/41/598867541.db2.gz ACIZNCRRVOTPNW-UHFFFAOYSA-N -2 3 390.812 2.771 20 0 GFADHL Cc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)cc2o1 ZINC000737486434 598867543 /nfs/dbraw/zinc/86/75/43/598867543.db2.gz ACIZNCRRVOTPNW-UHFFFAOYSA-N -2 3 390.812 2.771 20 0 GFADHL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737098257 598929310 /nfs/dbraw/zinc/92/93/10/598929310.db2.gz AGWODOIKBNHIEO-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000821719352 607255040 /nfs/dbraw/zinc/25/50/40/607255040.db2.gz CJHWJOZJIMPHIJ-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000736331864 598976011 /nfs/dbraw/zinc/97/60/11/598976011.db2.gz MFDAHZKKYCFXRZ-CQSZACIVSA-N -2 3 399.476 2.564 20 0 GFADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000736331864 598976013 /nfs/dbraw/zinc/97/60/13/598976013.db2.gz MFDAHZKKYCFXRZ-CQSZACIVSA-N -2 3 399.476 2.564 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cc(C(F)(F)F)ccc1F ZINC000738342119 598663968 /nfs/dbraw/zinc/66/39/68/598663968.db2.gz LJLITWWADIZVBV-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cc(C(F)(F)F)ccc1F ZINC000738342119 598663970 /nfs/dbraw/zinc/66/39/70/598663970.db2.gz LJLITWWADIZVBV-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1O ZINC000822258794 599304723 /nfs/dbraw/zinc/30/47/23/599304723.db2.gz CZSOSSAJXVTPGJ-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1O ZINC000822258794 599304726 /nfs/dbraw/zinc/30/47/26/599304726.db2.gz CZSOSSAJXVTPGJ-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1-c1nnn[n-]1 ZINC000820178450 607375054 /nfs/dbraw/zinc/37/50/54/607375054.db2.gz QMYKNKUQYVAIOQ-UHFFFAOYSA-N -2 3 394.844 2.503 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1-c1nn[n-]n1 ZINC000820178450 607375056 /nfs/dbraw/zinc/37/50/56/607375056.db2.gz QMYKNKUQYVAIOQ-UHFFFAOYSA-N -2 3 394.844 2.503 20 0 GFADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)cc1Cl ZINC000736158580 599796652 /nfs/dbraw/zinc/79/66/52/599796652.db2.gz VEBLIQUWPALXPK-UHFFFAOYSA-N -2 3 392.836 2.503 20 0 GFADHL O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc2[n-]c(=S)oc2c1 ZINC000826427861 607418680 /nfs/dbraw/zinc/41/86/80/607418680.db2.gz DVGKPCBMFUHGQJ-UHFFFAOYSA-N -2 3 378.417 2.716 20 0 GFADHL O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2[n-]c(=S)oc2c1 ZINC000826427861 607418682 /nfs/dbraw/zinc/41/86/82/607418682.db2.gz DVGKPCBMFUHGQJ-UHFFFAOYSA-N -2 3 378.417 2.716 20 0 GFADHL O=C([O-])c1sc2ccccc2c1COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000740290295 600368156 /nfs/dbraw/zinc/36/81/56/600368156.db2.gz KMWSAVAJBCFDMU-UHFFFAOYSA-N -2 3 381.365 2.840 20 0 GFADHL Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)c2)n1 ZINC000604304648 600611982 /nfs/dbraw/zinc/61/19/82/600611982.db2.gz CUJIVFFHJBSFPF-UHFFFAOYSA-N -2 3 399.428 2.716 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)s1 ZINC000832858681 600700231 /nfs/dbraw/zinc/70/02/31/600700231.db2.gz OOAQOGFYYUVBKU-UHFFFAOYSA-N -2 3 382.301 2.885 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC(F)(F)F)c(Br)cc1F ZINC000833304881 600801214 /nfs/dbraw/zinc/80/12/14/600801214.db2.gz NYHLFKAYKLAMBR-UHFFFAOYSA-N -2 3 394.140 2.517 20 0 GFADHL COCCOc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1OC ZINC000024955712 600809916 /nfs/dbraw/zinc/80/99/16/600809916.db2.gz VQHPEQGIUQGXPC-UHFFFAOYSA-N -2 3 395.433 2.528 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1OC ZINC000737889956 600893273 /nfs/dbraw/zinc/89/32/73/600893273.db2.gz SGIPDYFRDAQEIE-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000518818522 601220689 /nfs/dbraw/zinc/22/06/89/601220689.db2.gz VDXZJHZBGRWFKQ-AWEZNQCLSA-N -2 3 389.351 2.975 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3cccn3)cc2)cc1C(=O)[O-] ZINC000833029017 601224501 /nfs/dbraw/zinc/22/45/01/601224501.db2.gz WZCYUKNEHKPWKU-NSHDSACASA-N -2 3 375.406 2.511 20 0 GFADHL COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832600948 601238491 /nfs/dbraw/zinc/23/84/91/601238491.db2.gz CAZLMHWJHPHRFJ-KDOFPFPSSA-N -2 3 397.399 2.680 20 0 GFADHL C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000390578329 601239011 /nfs/dbraw/zinc/23/90/11/601239011.db2.gz WOTGXRYJTXNJND-LLVKDONJSA-N -2 3 385.388 2.547 20 0 GFADHL Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832979553 601239693 /nfs/dbraw/zinc/23/96/93/601239693.db2.gz QNXAQNRBQTWGPL-LLVKDONJSA-N -2 3 385.388 2.717 20 0 GFADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)o1 ZINC000829412528 601251444 /nfs/dbraw/zinc/25/14/44/601251444.db2.gz VXCLLEOVGFUYIJ-HKUPYCBJSA-N -2 3 379.434 2.606 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1NC(C)=O ZINC000024437406 601321209 /nfs/dbraw/zinc/32/12/09/601321209.db2.gz DFHFFACHRYSBDZ-BJMVGYQFSA-N -2 3 390.417 2.552 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1C ZINC000032097879 601322364 /nfs/dbraw/zinc/32/23/64/601322364.db2.gz UTNISCBFAFTLLQ-UHFFFAOYSA-N -2 3 392.408 2.826 20 0 GFADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1CO ZINC000520102636 601327115 /nfs/dbraw/zinc/32/71/15/601327115.db2.gz IWLUQXYYDUNZHU-UHFFFAOYSA-N -2 3 379.434 2.693 20 0 GFADHL COc1ccc2c(c1)[n-]cc(C(=O)Nc1nc(CCCC(=O)[O-])cs1)c2=O ZINC000832487159 601802291 /nfs/dbraw/zinc/80/22/91/601802291.db2.gz UMWCENLNVHYMTR-UHFFFAOYSA-N -2 3 387.417 2.653 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1-c1nnn[n-]1 ZINC000826303787 607534544 /nfs/dbraw/zinc/53/45/44/607534544.db2.gz FKOUPZPVMWUQGM-UHFFFAOYSA-N -2 3 399.354 2.875 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1-c1nn[n-]n1 ZINC000826303787 607534546 /nfs/dbraw/zinc/53/45/46/607534546.db2.gz FKOUPZPVMWUQGM-UHFFFAOYSA-N -2 3 399.354 2.875 20 0 GFADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740210179 602025930 /nfs/dbraw/zinc/02/59/30/602025930.db2.gz ZCJCKLDITIKRKI-UHFFFAOYSA-N -2 3 397.366 2.963 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000832904741 602113162 /nfs/dbraw/zinc/11/31/62/602113162.db2.gz ZWEQAOPGTRJECN-UHFFFAOYSA-N -3 3 377.418 2.820 20 0 GFADHL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000832140124 603143731 /nfs/dbraw/zinc/14/37/31/603143731.db2.gz HDIREWMTPPIXIK-JTQLQIEISA-N -2 3 390.248 2.676 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])CCCCCC2)no1 ZINC000833755483 604684510 /nfs/dbraw/zinc/68/45/10/604684510.db2.gz PAXWINLQCKJMCX-UHFFFAOYSA-N -2 3 397.428 2.743 20 0 GFADHL CC1(C)CC[C@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c2ccccc21 ZINC000833557640 604703408 /nfs/dbraw/zinc/70/34/08/604703408.db2.gz TXZIMIBQQQSMBE-LLVKDONJSA-N -2 3 380.491 2.975 20 0 GFADHL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])cc2)CCO1 ZINC000833634813 604744723 /nfs/dbraw/zinc/74/47/23/604744723.db2.gz LDPMLROARFUXLN-GFCCVEGCSA-N -2 3 394.424 2.550 20 0 GFADHL COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(C(=O)[O-])cc1OC ZINC000537849260 604858425 /nfs/dbraw/zinc/85/84/25/604858425.db2.gz IGPALNIKTCLGQB-UHFFFAOYSA-N -2 3 393.417 2.528 20 0 GFADHL CCc1nc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])CCCC2)no1 ZINC000563075274 605042691 /nfs/dbraw/zinc/04/26/91/605042691.db2.gz QFENBCHYCSOBCF-UHFFFAOYSA-N -2 3 399.856 2.731 20 0 GFADHL CC(C)(C)[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833422530 605716790 /nfs/dbraw/zinc/71/67/90/605716790.db2.gz FSQAFPBSLGWSLE-PKOBYXMFSA-N -2 3 398.459 2.869 20 0 GFADHL CC(C)(CC(=O)[O-])NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000833455851 605756837 /nfs/dbraw/zinc/75/68/37/605756837.db2.gz AERIXFGGYXYJMJ-QGZVFWFLSA-N -2 3 384.432 2.623 20 0 GFADHL O=C([O-])c1ccc(F)c(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000833781184 605812333 /nfs/dbraw/zinc/81/23/33/605812333.db2.gz UQGVTZSAZNRXTF-MRXNPFEDSA-N -2 3 387.363 2.578 20 0 GFADHL O=C([O-])Nc1ccc(F)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000834262142 605838872 /nfs/dbraw/zinc/83/88/72/605838872.db2.gz RLXLVZWZWQWXNG-HNNXBMFYSA-N -2 3 387.367 2.865 20 0 GFADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cc(Cl)ccc1Cl ZINC000823582940 606338179 /nfs/dbraw/zinc/33/81/79/606338179.db2.gz DLHHHAMWRHBZIZ-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)on1 ZINC000819959125 606627900 /nfs/dbraw/zinc/62/79/00/606627900.db2.gz ZDYZDJZGESPFEJ-UHFFFAOYSA-N -2 3 382.833 2.606 20 0 GFADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)on1 ZINC000819959125 606627902 /nfs/dbraw/zinc/62/79/02/606627902.db2.gz ZDYZDJZGESPFEJ-UHFFFAOYSA-N -2 3 382.833 2.606 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000821043469 606748657 /nfs/dbraw/zinc/74/86/57/606748657.db2.gz QGOPAYWAYOMJDL-OAHLLOKOSA-N -2 3 393.513 2.833 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000821043469 606748658 /nfs/dbraw/zinc/74/86/58/606748658.db2.gz QGOPAYWAYOMJDL-OAHLLOKOSA-N -2 3 393.513 2.833 20 0 GFADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000821588095 606820299 /nfs/dbraw/zinc/82/02/99/606820299.db2.gz APESHMAPZBBAPU-UHFFFAOYSA-N -2 3 396.476 2.662 20 0 GFADHL CCCc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821142012 606864039 /nfs/dbraw/zinc/86/40/39/606864039.db2.gz BGVPVTVKDYFLAY-UHFFFAOYSA-N -2 3 379.392 2.898 20 0 GFADHL CCCc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821142012 606864040 /nfs/dbraw/zinc/86/40/40/606864040.db2.gz BGVPVTVKDYFLAY-UHFFFAOYSA-N -2 3 379.392 2.898 20 0 GFADHL Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822288568 606892271 /nfs/dbraw/zinc/89/22/71/606892271.db2.gz BVGHIXRCKBGFPH-LLVKDONJSA-N -2 3 393.419 2.535 20 0 GFADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(-c2ccccc2)cc1 ZINC000823589073 607027115 /nfs/dbraw/zinc/02/71/15/607027115.db2.gz LQXCHOHVYSHTHH-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000822224062 607112983 /nfs/dbraw/zinc/11/29/83/607112983.db2.gz UWAVBIJAKFZHLT-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL O=S(=O)([N-]c1cccnc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826493164 607849215 /nfs/dbraw/zinc/84/92/15/607849215.db2.gz WROCUIYECUKIBH-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000826186697 608233678 /nfs/dbraw/zinc/23/36/78/608233678.db2.gz HIJLSHPJHZQJPS-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL O=S(=O)([N-]c1scnc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826493465 608308819 /nfs/dbraw/zinc/30/88/19/608308819.db2.gz LTYYMWANGBYVHP-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL O=S(=O)([N-]c1scnc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826493465 608308822 /nfs/dbraw/zinc/30/88/22/608308822.db2.gz LTYYMWANGBYVHP-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1-c1nnn[n-]1 ZINC000824333154 608528086 /nfs/dbraw/zinc/52/80/86/608528086.db2.gz FQIBZFOITWMVTR-UHFFFAOYSA-N -2 3 394.844 2.503 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1-c1nn[n-]n1 ZINC000824333154 608528087 /nfs/dbraw/zinc/52/80/87/608528087.db2.gz FQIBZFOITWMVTR-UHFFFAOYSA-N -2 3 394.844 2.503 20 0 GFADHL CC(=O)c1ccc([O-])c(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1 ZINC000824024757 609350124 /nfs/dbraw/zinc/35/01/24/609350124.db2.gz ODRNKZLEDJORLW-UHFFFAOYSA-N -2 3 392.375 2.719 20 0 GFADHL CC(=O)c1ccc([O-])c(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1 ZINC000824024757 609350126 /nfs/dbraw/zinc/35/01/26/609350126.db2.gz ODRNKZLEDJORLW-UHFFFAOYSA-N -2 3 392.375 2.719 20 0 GFADHL O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492998 609526751 /nfs/dbraw/zinc/52/67/51/609526751.db2.gz OCCNJNSQWWRIPW-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492998 609526754 /nfs/dbraw/zinc/52/67/54/609526754.db2.gz OCCNJNSQWWRIPW-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL CC(C)(C)C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000821246633 660319217 /nfs/dbraw/zinc/31/92/17/660319217.db2.gz DLLJBKSBFJHPCA-JQWIXIFHSA-N -2 3 384.281 2.522 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000135573166 655021101 /nfs/dbraw/zinc/02/11/01/655021101.db2.gz SVDANLJNUHOXEL-QPUJVOFHSA-N -2 3 382.301 2.822 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000274997691 655210737 /nfs/dbraw/zinc/21/07/37/655210737.db2.gz NNWRRCAXTBESIS-QMMMGPOBSA-N -2 3 398.264 2.559 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCc2ccccn2)c1 ZINC000184856086 655359974 /nfs/dbraw/zinc/35/99/74/655359974.db2.gz HYWSYIUWJGUJCH-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000574376863 655430094 /nfs/dbraw/zinc/43/00/94/655430094.db2.gz UCIPXYVVEVTGML-RKDXNWHRSA-N -2 3 385.335 2.504 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br)CC(F)F ZINC000700133884 655521517 /nfs/dbraw/zinc/52/15/17/655521517.db2.gz HIYVYUAPWUBCIU-RXMQYKEDSA-N -2 3 392.243 2.778 20 0 GFADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000776484487 656745922 /nfs/dbraw/zinc/74/59/22/656745922.db2.gz MSMJBQYAORHUGN-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000789896460 657898158 /nfs/dbraw/zinc/89/81/58/657898158.db2.gz PKRIAZNGVFDIMJ-JTQLQIEISA-N -2 3 383.164 2.796 20 0 GFADHL C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000809150799 659918383 /nfs/dbraw/zinc/91/83/83/659918383.db2.gz MEROJXFGKXJVLK-AYVTZFPOSA-N -2 3 385.800 2.978 20 0 GFADHL CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2cc([O-])cc(Br)c2)C(=O)[O-])C1 ZINC000909916015 664183743 /nfs/dbraw/zinc/18/37/43/664183743.db2.gz ZDDOVPNQEMPHIA-CUOATXAZSA-N -2 3 386.242 2.543 20 0 GFADHL CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F ZINC000926478783 664690489 /nfs/dbraw/zinc/69/04/89/664690489.db2.gz OUUISXGZLPYEKD-VIFPVBQESA-N -2 3 387.351 2.544 20 0 GFADHL CC(F)(F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000379306499 677405802 /nfs/dbraw/zinc/40/58/02/677405802.db2.gz VCSPOMXNBDHRGK-UHFFFAOYSA-N -2 3 378.216 2.532 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000392894396 563527878 /nfs/dbraw/zinc/52/78/78/563527878.db2.gz BSKQDSYGWYZHAV-JTQLQIEISA-N -2 3 394.287 2.627 20 0 GFADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1F ZINC000026538408 551121924 /nfs/dbraw/zinc/12/19/24/551121924.db2.gz VACBRYMDRQVRRK-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1F ZINC000135326346 551387327 /nfs/dbraw/zinc/38/73/27/551387327.db2.gz WETHPKVERCIODA-UHFFFAOYSA-N -2 3 378.834 2.651 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161830812 551599565 /nfs/dbraw/zinc/59/95/65/551599565.db2.gz JHHBEPPMLAXKGA-WCQYABFASA-N -2 3 380.235 2.510 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000165038341 551628503 /nfs/dbraw/zinc/62/85/03/551628503.db2.gz PNAXJPNHGKNNLI-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCC1 ZINC000166674006 551632446 /nfs/dbraw/zinc/63/24/46/551632446.db2.gz JMYNWUAANALDHW-UHFFFAOYSA-N -2 3 382.663 2.636 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1nc(C)cs1 ZINC000185007999 552350807 /nfs/dbraw/zinc/35/08/07/552350807.db2.gz KEAMGSJCYFOCQK-NSHDSACASA-N -2 3 376.406 2.858 20 0 GFADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000193097365 552983379 /nfs/dbraw/zinc/98/33/79/552983379.db2.gz WHUVRZKZPTWJQN-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)CC(=O)[O-] ZINC000233883859 553066989 /nfs/dbraw/zinc/06/69/89/553066989.db2.gz CAVUWEFQACKBRD-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2cc(Br)ccc2[O-])CCCC1 ZINC000567037989 564354257 /nfs/dbraw/zinc/35/42/57/564354257.db2.gz LKSLGTXTIRDOQF-UHFFFAOYSA-N -2 3 392.271 2.630 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000547576791 564496494 /nfs/dbraw/zinc/49/64/94/564496494.db2.gz VNAHQOOGWWIOOA-AAEUAGOBSA-N -2 3 380.235 2.510 20 0 GFADHL CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000285024957 563499304 /nfs/dbraw/zinc/49/93/04/563499304.db2.gz IDQUUIOAILZHMY-VIFPVBQESA-N -2 3 391.820 2.843 20 0 GFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000312917555 563437714 /nfs/dbraw/zinc/43/77/14/563437714.db2.gz VYNDCLXFAMHQDJ-QMMMGPOBSA-N -2 3 384.679 2.738 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318559721 563444237 /nfs/dbraw/zinc/44/42/37/563444237.db2.gz NYCOZFKFUAEDBY-JSGCOSHPSA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000324020830 563451627 /nfs/dbraw/zinc/45/16/27/563451627.db2.gz LYODTXUQGREHBA-GFCCVEGCSA-N -2 3 390.244 2.673 20 0 GFADHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000326458308 563455397 /nfs/dbraw/zinc/45/53/97/563455397.db2.gz YBJJVJVQBHXDSP-SECBINFHSA-N -2 3 384.763 2.533 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)CCCC1 ZINC000290748829 563719586 /nfs/dbraw/zinc/71/95/86/563719586.db2.gz YBJMVIUXOCJIGB-UHFFFAOYSA-N -2 3 375.830 2.513 20 0 GFADHL COc1cc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c(Cl)cc1C(=O)[O-] ZINC000414395824 563733658 /nfs/dbraw/zinc/73/36/58/563733658.db2.gz RIQWWRLIRJAIKY-SSDOTTSWSA-N -2 3 389.779 2.914 20 0 GFADHL O=C(Nc1cc(Br)ccc1[O-])c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000444005760 563817842 /nfs/dbraw/zinc/81/78/42/563817842.db2.gz YOFKZVNTYGAQBE-UHFFFAOYSA-N -2 3 376.166 2.750 20 0 GFADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1 ZINC000444052937 563818249 /nfs/dbraw/zinc/81/82/49/563818249.db2.gz HYKPTTPSVMUTEU-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1 ZINC000444052937 563818251 /nfs/dbraw/zinc/81/82/51/563818251.db2.gz HYKPTTPSVMUTEU-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000563527501 564194972 /nfs/dbraw/zinc/19/49/72/564194972.db2.gz MUSDTTXEENBWCB-RISCZKNCSA-N -2 3 383.800 2.863 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)sc1Cl ZINC000473402279 564245796 /nfs/dbraw/zinc/24/57/96/564245796.db2.gz QMNRBNNBOISPJX-HNNXBMFYSA-N -2 3 399.881 2.565 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2cccc(Br)c2C)cc1C(=O)[O-] ZINC000541002642 564263322 /nfs/dbraw/zinc/26/33/22/564263322.db2.gz PQCCNVCXCWZXOK-UHFFFAOYSA-N -2 3 388.239 2.836 20 0 GFADHL O=C(CNC(=O)c1cccc([O-])c1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000474731175 564287661 /nfs/dbraw/zinc/28/76/61/564287661.db2.gz RFZAUMSUMUAIRX-UHFFFAOYSA-N -2 3 399.628 2.882 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541910290 564294589 /nfs/dbraw/zinc/29/45/89/564294589.db2.gz SIULDCJJXOERAT-RISCZKNCSA-N -2 3 394.262 2.900 20 0 GFADHL CC1(C)CCC([N-]S(=O)(=O)c2cncc(Br)c2)(C(=O)[O-])CC1 ZINC000543786164 564364167 /nfs/dbraw/zinc/36/41/67/564364167.db2.gz BCSMMZUUUPBAQV-UHFFFAOYSA-N -2 3 391.287 2.546 20 0 GFADHL CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000567792264 564388077 /nfs/dbraw/zinc/38/80/77/564388077.db2.gz AJLKQPXJAMVKFX-UHFFFAOYSA-N -2 3 377.484 2.625 20 0 GFADHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)sc1C(=O)[O-] ZINC000567809847 564390268 /nfs/dbraw/zinc/39/02/68/564390268.db2.gz CKJULRJQPASDEO-ZETCQYMHSA-N -2 3 395.384 2.603 20 0 GFADHL COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)c1ccc(C)o1 ZINC000546959534 564474956 /nfs/dbraw/zinc/47/49/56/564474956.db2.gz DWRKKJJKLBVQFU-ZDUSSCGKSA-N -2 3 387.841 2.914 20 0 GFADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547551647 564493250 /nfs/dbraw/zinc/49/32/50/564493250.db2.gz GWNIBMZBKVWWEL-XHDPSFHLSA-N -2 3 383.853 2.651 20 0 GFADHL Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000547555735 564494320 /nfs/dbraw/zinc/49/43/20/564494320.db2.gz IKULXMZFKRFHLI-AWEZNQCLSA-N -2 3 384.797 2.661 20 0 GFADHL N#CC1(CS(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)CCCC1 ZINC000547567884 564495147 /nfs/dbraw/zinc/49/51/47/564495147.db2.gz IARBGFMPHDXBFB-UHFFFAOYSA-N -2 3 387.255 2.973 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000547609687 564502355 /nfs/dbraw/zinc/50/23/55/564502355.db2.gz ZINRKEKTOVGRBN-CYBMUJFWSA-N -2 3 379.450 2.704 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1sccc1Br)c1ccsc1 ZINC000547613060 564503475 /nfs/dbraw/zinc/50/34/75/564503475.db2.gz SDFRMEGZKMNKBO-MRVPVSSYSA-N -2 3 382.282 2.676 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccsc1 ZINC000570637037 564515653 /nfs/dbraw/zinc/51/56/53/564515653.db2.gz LIRFLJFHPHOPNS-LLVKDONJSA-N -2 3 375.855 2.904 20 0 GFADHL C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]1C ZINC000481601563 564517509 /nfs/dbraw/zinc/51/75/09/564517509.db2.gz UEDLBDGGUZVNAG-FRRDWIJNSA-N -2 3 392.518 2.548 20 0 GFADHL Cc1nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c[nH]1 ZINC000547939641 564524227 /nfs/dbraw/zinc/52/42/27/564524227.db2.gz IZZCWWHOHCOHIC-LLVKDONJSA-N -2 3 378.237 2.519 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCOCC1 ZINC000548202217 564535573 /nfs/dbraw/zinc/53/55/73/564535573.db2.gz DXRMCTPJQVKDDB-UHFFFAOYSA-N -2 3 383.853 2.653 20 0 GFADHL Cc1nc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000548206789 564536607 /nfs/dbraw/zinc/53/66/07/564536607.db2.gz IFXMNHAURDCFEY-LBPRGKRZSA-N -2 3 392.264 2.909 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1sccc1Br)c1ccccc1F ZINC000548527456 564555778 /nfs/dbraw/zinc/55/57/78/564555778.db2.gz GFVWKGNHIORFQZ-SNVBAGLBSA-N -2 3 394.243 2.754 20 0 GFADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000548553558 564559487 /nfs/dbraw/zinc/55/94/87/564559487.db2.gz CJVRPUZPQIFVJQ-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000571675041 564562016 /nfs/dbraw/zinc/56/20/16/564562016.db2.gz OGDXGQHIIIGGPP-CMPLNLGQSA-N -2 3 375.324 2.831 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551593061 564657251 /nfs/dbraw/zinc/65/72/51/564657251.db2.gz XDJPUAXVNYKMPZ-GFCCVEGCSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)s1 ZINC000573834641 564655781 /nfs/dbraw/zinc/65/57/81/564655781.db2.gz CJSXOORHLYNWKG-SCZZXKLOSA-N -2 3 384.317 2.843 20 0 GFADHL C[C@@H](CCC[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551591867 564655914 /nfs/dbraw/zinc/65/59/14/564655914.db2.gz FEUFEMHSJCNIBI-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000574916898 564689197 /nfs/dbraw/zinc/68/91/97/564689197.db2.gz KIDDMTZWCPNQLS-ZJUUUORDSA-N -2 3 383.800 2.863 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])sc1C ZINC000581070136 564786569 /nfs/dbraw/zinc/78/65/69/564786569.db2.gz YZMIIKQHKIUVCJ-UHFFFAOYSA-N -2 3 394.396 2.955 20 0 GFADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461745958 564802987 /nfs/dbraw/zinc/80/29/87/564802987.db2.gz NBJXCYMWTJASGU-JTQLQIEISA-N -2 3 379.381 2.741 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-])C(C)C ZINC000530148293 564867013 /nfs/dbraw/zinc/86/70/13/564867013.db2.gz DBHDQYMRQAXESP-LLVKDONJSA-N -2 3 380.260 2.560 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)c2cccs2)C(=O)[O-])sc1Cl ZINC000530435198 564881720 /nfs/dbraw/zinc/88/17/20/564881720.db2.gz DAWQTCKKLPIQBG-QMMMGPOBSA-N -2 3 393.895 2.776 20 0 GFADHL COc1cccnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000583443819 564892362 /nfs/dbraw/zinc/89/23/62/564892362.db2.gz DJMGIZRQKCGOOQ-UHFFFAOYSA-N -2 3 384.479 2.626 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(Br)c1 ZINC000504306005 565038006 /nfs/dbraw/zinc/03/80/06/565038006.db2.gz ZBZFKPJEDXTWJG-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(Br)c1O ZINC000504734146 565043797 /nfs/dbraw/zinc/04/37/97/565043797.db2.gz XDQCNPCFJKVTHO-XQRVVYSFSA-N -2 3 395.209 2.765 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2sc(C)cc2Br)c[n-]1 ZINC000585730417 565107762 /nfs/dbraw/zinc/10/77/62/565107762.db2.gz QRXYFDUGPGWHSF-UHFFFAOYSA-N -2 3 394.272 2.520 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2sc(C)cc2Br)[n-]1 ZINC000585730417 565107769 /nfs/dbraw/zinc/10/77/69/565107769.db2.gz QRXYFDUGPGWHSF-UHFFFAOYSA-N -2 3 394.272 2.520 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c[n-]1 ZINC000585730838 565108355 /nfs/dbraw/zinc/10/83/55/565108355.db2.gz GCKAYHIBOOYTMF-UHFFFAOYSA-N -2 3 381.307 2.545 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)[n-]1 ZINC000585730838 565108358 /nfs/dbraw/zinc/10/83/58/565108358.db2.gz GCKAYHIBOOYTMF-UHFFFAOYSA-N -2 3 381.307 2.545 20 0 GFADHL COc1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000614767094 565131569 /nfs/dbraw/zinc/13/15/69/565131569.db2.gz OUDHJBDAYPCNIP-CYBMUJFWSA-N -2 3 387.816 2.982 20 0 GFADHL COc1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000614767105 565131844 /nfs/dbraw/zinc/13/18/44/565131844.db2.gz OUDHJBDAYPCNIP-ZDUSSCGKSA-N -2 3 387.816 2.982 20 0 GFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1ncc(C)s1 ZINC000645960555 565577909 /nfs/dbraw/zinc/57/79/09/565577909.db2.gz GNOLBYXQTPJKQL-UHFFFAOYSA-N -2 3 388.442 2.511 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H](C)Oc1cccc(C)c1 ZINC000645983095 565580109 /nfs/dbraw/zinc/58/01/09/565580109.db2.gz UUSSGJSGVNUAOA-LLVKDONJSA-N -2 3 385.463 2.509 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2c[nH]c3cccnc23)C(=O)[O-])sc1Cl ZINC000669623261 565696181 /nfs/dbraw/zinc/69/61/81/565696181.db2.gz RSFQGAOXIKOKNV-LLVKDONJSA-N -2 3 399.881 2.560 20 0 GFADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650394280 565817128 /nfs/dbraw/zinc/81/71/28/565817128.db2.gz CFLMDULPFICYLK-LURJTMIESA-N -2 3 397.705 2.625 20 0 GFADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000650412796 565818335 /nfs/dbraw/zinc/81/83/35/565818335.db2.gz FIMJZJIGUOZZNK-CBAPKCEASA-N -2 3 385.747 2.546 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@H](C)C(=O)[O-] ZINC000650421136 565820070 /nfs/dbraw/zinc/82/00/70/565820070.db2.gz JMNUVIWVXNUIBN-BQBZGAKWSA-N -2 3 375.752 2.626 20 0 GFADHL CCO[C@@H](CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1)C1CC1 ZINC000629292737 565837814 /nfs/dbraw/zinc/83/78/14/565837814.db2.gz WJAODBFLSAFFEZ-ZDUSSCGKSA-N -2 3 392.271 2.704 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000681557655 566111028 /nfs/dbraw/zinc/11/10/28/566111028.db2.gz LKYMNVQVBOQBDB-NSHDSACASA-N -2 3 375.855 2.904 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CCc2ccc(CC(=O)[O-])cc2)c(Cl)cc1F ZINC000681571580 566113482 /nfs/dbraw/zinc/11/34/82/566113482.db2.gz MNJDSJJUCHRJIH-UHFFFAOYSA-N -2 3 385.844 2.936 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000681568527 566113834 /nfs/dbraw/zinc/11/38/34/566113834.db2.gz NXRCSFCWEZVSRW-LLVKDONJSA-N -2 3 380.369 2.575 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CCC)C(=O)[O-] ZINC000656509114 566128643 /nfs/dbraw/zinc/12/86/43/566128643.db2.gz LUXCZJZCLWXVFA-NSHDSACASA-N -2 3 394.287 2.770 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC000656515361 566132345 /nfs/dbraw/zinc/13/23/45/566132345.db2.gz DONYHLRHTUIPMM-UHFFFAOYSA-N -2 3 392.271 2.524 20 0 GFADHL COc1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000682894905 566174202 /nfs/dbraw/zinc/17/42/02/566174202.db2.gz PRPVRWWDXWAFGL-CQSZACIVSA-N -2 3 381.475 2.911 20 0 GFADHL O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)[N-]OCc1ccccc1 ZINC000826420863 607845053 /nfs/dbraw/zinc/84/50/53/607845053.db2.gz GMSNSDNEOHOMHV-UHFFFAOYSA-N -2 3 375.841 2.860 20 0 GFADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)[N-]OCc1ccccc1 ZINC000826420863 607845054 /nfs/dbraw/zinc/84/50/54/607845054.db2.gz GMSNSDNEOHOMHV-UHFFFAOYSA-N -2 3 375.841 2.860 20 0 GFADHL O=C(c1ccc([O-])c(Cl)c1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738268660 598261096 /nfs/dbraw/zinc/26/10/96/598261096.db2.gz QYIQRYQKAFKGNJ-UHFFFAOYSA-N -2 3 399.838 2.909 20 0 GFADHL O=C(c1ccc([O-])c(Cl)c1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738268660 598261098 /nfs/dbraw/zinc/26/10/98/598261098.db2.gz QYIQRYQKAFKGNJ-UHFFFAOYSA-N -2 3 399.838 2.909 20 0 GFADHL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC000736408951 598437306 /nfs/dbraw/zinc/43/73/06/598437306.db2.gz LFSGPCXEIZDWHW-SNVBAGLBSA-N -2 3 390.494 2.639 20 0 GFADHL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)sc2C1 ZINC000736408951 598437307 /nfs/dbraw/zinc/43/73/07/598437307.db2.gz LFSGPCXEIZDWHW-SNVBAGLBSA-N -2 3 390.494 2.639 20 0 GFADHL C[C@@H](NC(=O)c1cccc(Br)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820398018 599552850 /nfs/dbraw/zinc/55/28/50/599552850.db2.gz ZLODNJCFQUXIOJ-SECBINFHSA-N -2 3 388.225 2.826 20 0 GFADHL CSc1ccc([C@H](CC(=O)[O-])N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000738202568 599850156 /nfs/dbraw/zinc/85/01/56/599850156.db2.gz IACUXPYXQPVZJS-YTBHAWNYSA-N -2 3 382.441 2.825 20 0 GFADHL COc1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000681556658 599895159 /nfs/dbraw/zinc/89/51/59/599895159.db2.gz SOCJDZPHRHHAKI-AWEZNQCLSA-N -2 3 389.351 2.607 20 0 GFADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCCC(=O)[O-])cc3)ccc2O1 ZINC000504518418 599938382 /nfs/dbraw/zinc/93/83/82/599938382.db2.gz LKEUWJKVDBRIQH-GFCCVEGCSA-N -2 3 377.418 2.664 20 0 GFADHL C[C@]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)(C(=O)[O-])C1CC1 ZINC000736663546 600240298 /nfs/dbraw/zinc/24/02/98/600240298.db2.gz AUDGOULJPJLHKQ-GFCCVEGCSA-N -2 3 382.663 2.634 20 0 GFADHL Cc1[nH]c(C(=O)CO[N-]C(=O)Cc2cccc3ccccc32)c(C)c1C(=O)[O-] ZINC000738156520 600427716 /nfs/dbraw/zinc/42/77/16/600427716.db2.gz VSTDKIBSQGQLFW-UHFFFAOYSA-N -2 3 380.400 2.956 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000068076171 600481967 /nfs/dbraw/zinc/48/19/67/600481967.db2.gz KEJUTIFNRLXOCD-UHFFFAOYSA-N -3 3 399.808 2.936 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1NC(C)=O ZINC000115680293 600482642 /nfs/dbraw/zinc/48/26/42/600482642.db2.gz IVTKRBKEBKZDHX-UHFFFAOYSA-N -2 3 398.824 2.806 20 0 GFADHL CCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000515633498 600543149 /nfs/dbraw/zinc/54/31/49/600543149.db2.gz PVHYQSYDQNDDGX-UHFFFAOYSA-N -3 3 393.417 2.845 20 0 GFADHL Cc1nc(C)c(CC(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c(=O)[n-]1 ZINC000738844829 600607128 /nfs/dbraw/zinc/60/71/28/600607128.db2.gz PDOSXYRPDXWBDC-SFHVURJKSA-N -2 3 393.443 2.554 20 0 GFADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccnc2Cl)c1 ZINC000740068464 600635092 /nfs/dbraw/zinc/63/50/92/600635092.db2.gz HIWIAOIUWSMWDI-UHFFFAOYSA-N -2 3 391.630 2.997 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)ccc1C ZINC000736161443 600635456 /nfs/dbraw/zinc/63/54/56/600635456.db2.gz SBHVTZVTQYPJGD-UHFFFAOYSA-N -2 3 377.422 2.868 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)OC)c2)c(C)c1 ZINC000830094571 600689112 /nfs/dbraw/zinc/68/91/12/600689112.db2.gz NVNBZXKWELKRRV-UHFFFAOYSA-N -2 3 393.417 2.679 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)o1 ZINC000833323108 600783827 /nfs/dbraw/zinc/78/38/27/600783827.db2.gz CNHMYFAOIWJMMN-QMMMGPOBSA-N -2 3 378.189 2.697 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1N1CCOC1=O ZINC000795327202 600868081 /nfs/dbraw/zinc/86/80/81/600868081.db2.gz VCPLYHLPOFWOSQ-UHFFFAOYSA-N -2 3 390.417 2.759 20 0 GFADHL CCN(CCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000829709333 600992360 /nfs/dbraw/zinc/99/23/60/600992360.db2.gz GFPTYZMDZQPLNG-UHFFFAOYSA-N -2 3 398.431 2.858 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(I)ccc2[O-])C1 ZINC000833185697 601210833 /nfs/dbraw/zinc/21/08/33/601210833.db2.gz IADNZPOPHYVBRT-RKDXNWHRSA-N -2 3 389.189 2.826 20 0 GFADHL CC(C)c1nc(C2([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)CCCC2)no1 ZINC000563067322 601227670 /nfs/dbraw/zinc/22/76/70/601227670.db2.gz FBHDNFORSGXDPE-UHFFFAOYSA-N -2 3 379.438 2.639 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1c(F)cccc1F ZINC000326863296 601231061 /nfs/dbraw/zinc/23/10/61/601231061.db2.gz VMZDSICUHDGGOZ-ZETCQYMHSA-N -2 3 377.315 2.981 20 0 GFADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1nccs1 ZINC000828692844 601237957 /nfs/dbraw/zinc/23/79/57/601237957.db2.gz NAFRXEDLBUTISF-AWEZNQCLSA-N -2 3 376.406 2.723 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000827754723 601256255 /nfs/dbraw/zinc/25/62/55/601256255.db2.gz LQHKNHVBRIHHKT-HUYFXPKMSA-N -2 3 379.438 2.504 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)ccc1F ZINC000055631638 601324030 /nfs/dbraw/zinc/32/40/30/601324030.db2.gz WVXAWSPLRCDLAI-CQSZACIVSA-N -2 3 395.408 2.883 20 0 GFADHL COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000747613678 601330561 /nfs/dbraw/zinc/33/05/61/601330561.db2.gz UEUHNKZTUGYLLE-BJMVGYQFSA-N -2 3 375.402 2.680 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)[O-])cc2)n1 ZINC000740054227 601910408 /nfs/dbraw/zinc/91/04/08/601910408.db2.gz JVYNUZUQUXEARN-OIISXLGYSA-N -2 3 396.447 2.995 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1-c1nnn[n-]1 ZINC000826303928 607537947 /nfs/dbraw/zinc/53/79/47/607537947.db2.gz MYGIQPGTHXRDFQ-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1-c1nn[n-]n1 ZINC000826303928 607537949 /nfs/dbraw/zinc/53/79/49/607537949.db2.gz MYGIQPGTHXRDFQ-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)s1 ZINC000826325407 607538232 /nfs/dbraw/zinc/53/82/32/607538232.db2.gz WQCWPXVDXXVWTQ-UHFFFAOYSA-N -2 3 392.510 2.939 20 0 GFADHL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)s1 ZINC000826325407 607538234 /nfs/dbraw/zinc/53/82/34/607538234.db2.gz WQCWPXVDXXVWTQ-UHFFFAOYSA-N -2 3 392.510 2.939 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000826279124 607560306 /nfs/dbraw/zinc/56/03/06/607560306.db2.gz GKXBXVJFJLUJNS-CYBMUJFWSA-N -2 3 399.476 2.564 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000826279124 607560307 /nfs/dbraw/zinc/56/03/07/607560307.db2.gz GKXBXVJFJLUJNS-CYBMUJFWSA-N -2 3 399.476 2.564 20 0 GFADHL C[C@](CNC(=O)[O-])([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000738925232 602708190 /nfs/dbraw/zinc/70/81/90/602708190.db2.gz OUPADXJEWSPEIV-CYBMUJFWSA-N -2 3 384.351 2.559 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-])c1noc(-c2ccccc2)n1 ZINC000833523005 604693495 /nfs/dbraw/zinc/69/34/95/604693495.db2.gz IJSHOIIWEFQPOB-SNVBAGLBSA-N -2 3 391.380 2.613 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)Cc3ccccc3C(=O)[O-])CCCCCC2)no1 ZINC000828977333 605017052 /nfs/dbraw/zinc/01/70/52/605017052.db2.gz CABOJZYDTLNNBQ-UHFFFAOYSA-N -2 3 393.465 2.745 20 0 GFADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)nc21 ZINC000833717160 605059270 /nfs/dbraw/zinc/05/92/70/605059270.db2.gz VSEHKPSFYMGLSH-UHFFFAOYSA-N -2 3 397.387 2.682 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000544096372 605332208 /nfs/dbraw/zinc/33/22/08/605332208.db2.gz GECYGBRECGAIEG-NSHDSACASA-N -3 3 393.417 2.772 20 0 GFADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000821766386 606331640 /nfs/dbraw/zinc/33/16/40/606331640.db2.gz VKIKZAMEXTWEHK-UHFFFAOYSA-N -2 3 396.432 2.533 20 0 GFADHL C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820438256 606893092 /nfs/dbraw/zinc/89/30/92/606893092.db2.gz LQVMWQSAHXNRJT-QWRGUYRKSA-N -2 3 393.419 2.615 20 0 GFADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823589083 607113832 /nfs/dbraw/zinc/11/38/32/607113832.db2.gz MESPSLARZIWUPX-UHFFFAOYSA-N -2 3 397.819 2.669 20 0 GFADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823589083 607113833 /nfs/dbraw/zinc/11/38/33/607113833.db2.gz MESPSLARZIWUPX-UHFFFAOYSA-N -2 3 397.819 2.669 20 0 GFADHL O=C(c1ccc([O-])cc1)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826472920 607837726 /nfs/dbraw/zinc/83/77/26/607837726.db2.gz CITSEYYXVCWEOR-UHFFFAOYSA-N -2 3 384.827 2.720 20 0 GFADHL COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000826161744 608138305 /nfs/dbraw/zinc/13/83/05/608138305.db2.gz XPGSWHKTODQOQS-UHFFFAOYSA-N -2 3 389.799 2.503 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000825631614 608293038 /nfs/dbraw/zinc/29/30/38/608293038.db2.gz DXTHICVXBAVLJO-UHFFFAOYSA-N -2 3 379.467 2.745 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)c1Cl ZINC000821247945 660319145 /nfs/dbraw/zinc/31/91/45/660319145.db2.gz JQQSOPUCDGCLKV-CMPLNLGQSA-N -2 3 398.308 2.830 20 0 GFADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-][N-]C(=O)c1ccc2ccccc2n1 ZINC000031665198 654597718 /nfs/dbraw/zinc/59/77/18/654597718.db2.gz CNBQIDIECVUVRA-UHFFFAOYSA-N -2 3 375.837 2.820 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126619740 654816573 /nfs/dbraw/zinc/81/65/73/654816573.db2.gz BISQJESMQHELMF-UHFFFAOYSA-N -2 3 385.239 2.779 20 0 GFADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000060838699 654833587 /nfs/dbraw/zinc/83/35/87/654833587.db2.gz CCRNDNKIQUBNHJ-UHFFFAOYSA-N -2 3 389.260 2.772 20 0 GFADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000275048311 655213946 /nfs/dbraw/zinc/21/39/46/655213946.db2.gz WOXVNHQIJKVMCK-MRVPVSSYSA-N -2 3 398.250 2.519 20 0 GFADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000575803662 655437509 /nfs/dbraw/zinc/43/75/09/655437509.db2.gz WYYPEJJRIUNDOY-SECBINFHSA-N -2 3 384.317 2.987 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC)c1nc(C)cs1 ZINC000579119283 655494452 /nfs/dbraw/zinc/49/44/52/655494452.db2.gz XJYWVXCJKHGSSB-LLVKDONJSA-N -2 3 388.442 2.727 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C2CC2)c(Br)o1 ZINC000840896317 661203036 /nfs/dbraw/zinc/20/30/36/661203036.db2.gz HUJBBAFVSSEHHJ-UWVGGRQHSA-N -2 3 392.271 2.845 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(Br)s1 ZINC000768045145 656231092 /nfs/dbraw/zinc/23/10/92/656231092.db2.gz CCSRXWCDZIBWRL-UHFFFAOYSA-N -3 3 396.215 2.854 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)ccc1Br ZINC000768054071 656231426 /nfs/dbraw/zinc/23/14/26/656231426.db2.gz GAIFDBJEHMAQQX-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL O=C([O-])[C@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776595391 656764285 /nfs/dbraw/zinc/76/42/85/656764285.db2.gz BHRKHJYYJDZYLU-NSHDSACASA-N -2 3 393.223 2.502 20 0 GFADHL CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)[C@@H]2CCO[C@@H]21 ZINC000844896894 661446878 /nfs/dbraw/zinc/44/68/78/661446878.db2.gz ZKIQFGILBLHSEF-CKLFPEKLSA-N -2 3 394.276 2.783 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000871998562 662750686 /nfs/dbraw/zinc/75/06/86/662750686.db2.gz JFARGYVEVUDTMU-DTWKUNHWSA-N -2 3 399.412 2.878 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000399427211 563533599 /nfs/dbraw/zinc/53/35/99/563533599.db2.gz GXYLOGDFGKJUHW-PRHODGIISA-N -2 3 382.251 2.612 20 0 GFADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135336296 551387495 /nfs/dbraw/zinc/38/74/95/551387495.db2.gz MBTLAAFJCNYEDP-UHFFFAOYSA-N -2 3 386.470 2.951 20 0 GFADHL CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1F ZINC000194382573 553019240 /nfs/dbraw/zinc/01/92/40/553019240.db2.gz YLXZHLUYKHUOAU-UHFFFAOYSA-N -2 3 376.768 2.948 20 0 GFADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000230027739 553064290 /nfs/dbraw/zinc/06/42/90/553064290.db2.gz MMDKFYNGAZWIAP-UHFFFAOYSA-N -2 3 391.630 2.997 20 0 GFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000262618416 553172911 /nfs/dbraw/zinc/17/29/11/553172911.db2.gz FFOBXWZBKNXMPO-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000424390229 563377774 /nfs/dbraw/zinc/37/77/74/563377774.db2.gz JTPJAFRRJYSENT-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL CCC[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000316044267 563440734 /nfs/dbraw/zinc/44/07/34/563440734.db2.gz LQQUTWMPZBZXBQ-SNVBAGLBSA-N -2 3 394.287 2.627 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1OC ZINC000427299256 563464859 /nfs/dbraw/zinc/46/48/59/563464859.db2.gz KZOMGQKHINGMER-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000285161770 563506317 /nfs/dbraw/zinc/50/63/17/563506317.db2.gz PJENFOOKDZFHHO-QMMMGPOBSA-N -2 3 389.779 2.670 20 0 GFADHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000389835225 563521814 /nfs/dbraw/zinc/52/18/14/563521814.db2.gz WXVLDXKKNNIVLC-CYBMUJFWSA-N -2 3 391.287 2.546 20 0 GFADHL CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000393163571 563528550 /nfs/dbraw/zinc/52/85/50/563528550.db2.gz NHWNYOUZMBNQKP-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1F ZINC000431166829 563554882 /nfs/dbraw/zinc/55/48/82/563554882.db2.gz AZNCCUOKFVVLOR-UHFFFAOYSA-N -2 3 379.287 2.507 20 0 GFADHL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433511224 563614329 /nfs/dbraw/zinc/61/43/29/563614329.db2.gz QLOAOEPPPNHYNU-UHFFFAOYSA-N -3 3 384.797 2.503 20 0 GFADHL COc1ccc(NC(=O)c2ccc(I)c([O-])c2)c([O-])c1 ZINC000443559107 563807791 /nfs/dbraw/zinc/80/77/91/563807791.db2.gz NEEFIGGBDWVJPC-UHFFFAOYSA-N -2 3 385.157 2.963 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CCOC2(CCC2)C1 ZINC000368800297 563879338 /nfs/dbraw/zinc/87/93/38/563879338.db2.gz MZFZTNXVOXHNEX-YGRLFVJLSA-N -2 3 391.848 2.560 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000564141543 564222243 /nfs/dbraw/zinc/22/22/43/564222243.db2.gz BADGCSLWAJUNHK-AAEUAGOBSA-N -2 3 393.889 2.531 20 0 GFADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1cccc([O-])c1 ZINC000509020944 564278959 /nfs/dbraw/zinc/27/89/59/564278959.db2.gz GPPLFOXWILUJDI-UHFFFAOYSA-N -2 3 375.431 2.902 20 0 GFADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000566174424 564314440 /nfs/dbraw/zinc/31/44/40/564314440.db2.gz QFRZZISOJZZPDN-SNVBAGLBSA-N -2 3 388.854 2.687 20 0 GFADHL CCCC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476932817 564359339 /nfs/dbraw/zinc/35/93/39/564359339.db2.gz LSQOSGGGDSMILP-SWLSCSKDSA-N -2 3 392.518 2.834 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c(F)c1 ZINC000568704786 564430656 /nfs/dbraw/zinc/43/06/56/564430656.db2.gz SOZHJBKSDZTJOF-AWEZNQCLSA-N -2 3 389.807 2.901 20 0 GFADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000546253604 564451513 /nfs/dbraw/zinc/45/15/13/564451513.db2.gz DRXQATFJEQKOFW-AWEZNQCLSA-N -2 3 387.841 2.860 20 0 GFADHL CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000546265153 564452394 /nfs/dbraw/zinc/45/23/94/564452394.db2.gz FQMOPANHTPUHRX-CYBMUJFWSA-N -2 3 388.898 2.681 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(F)(F)F ZINC000570157956 564493632 /nfs/dbraw/zinc/49/36/32/564493632.db2.gz HODQZCLNNRBJET-LBPRGKRZSA-N -2 3 383.388 2.795 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000547556056 564494299 /nfs/dbraw/zinc/49/42/99/564494299.db2.gz YGNSXNGAGLVDDV-LLVKDONJSA-N -2 3 388.898 2.581 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c(Cl)c1 ZINC000547610311 564502251 /nfs/dbraw/zinc/50/22/51/564502251.db2.gz KZVYUMAASBXZOC-NSHDSACASA-N -2 3 391.873 2.542 20 0 GFADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000517748084 564541070 /nfs/dbraw/zinc/54/10/70/564541070.db2.gz PFWBNTZMPNZKMR-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000548260364 564544390 /nfs/dbraw/zinc/54/43/90/564544390.db2.gz VMHMRWDSQTVXSC-WDEREUQCSA-N -2 3 391.873 2.684 20 0 GFADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000548260516 564544479 /nfs/dbraw/zinc/54/44/79/564544479.db2.gz FUNZCGKHMQVDOZ-PWSUYJOCSA-N -2 3 384.866 2.771 20 0 GFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000548289444 564547377 /nfs/dbraw/zinc/54/73/77/564547377.db2.gz RMLMVZSWCREIOB-UHFFFAOYSA-N -2 3 384.410 2.579 20 0 GFADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(C(=O)[O-])c1 ZINC000548538863 564557154 /nfs/dbraw/zinc/55/71/54/564557154.db2.gz YMQPHGAHLXRQPL-UHFFFAOYSA-N -2 3 377.447 2.861 20 0 GFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000548557557 564560270 /nfs/dbraw/zinc/56/02/70/564560270.db2.gz ISGULWQTWNZHNX-SECBINFHSA-N -2 3 382.251 2.900 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1F ZINC000548570066 564562288 /nfs/dbraw/zinc/56/22/88/564562288.db2.gz PMTKURSIJXVMDG-SNVBAGLBSA-N -2 3 392.202 2.676 20 0 GFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000548580429 564563921 /nfs/dbraw/zinc/56/39/21/564563921.db2.gz QNVKFQOMXVGCGR-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000518919870 564565954 /nfs/dbraw/zinc/56/59/54/564565954.db2.gz BQVMHWIPVMNGDX-CABZTGNLSA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000549548726 564597643 /nfs/dbraw/zinc/59/76/43/564597643.db2.gz HAOABUPCVHMRGX-UKRRQHHQSA-N -2 3 393.864 2.542 20 0 GFADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000551245117 564643572 /nfs/dbraw/zinc/64/35/72/564643572.db2.gz UJNLYXAZGKHXTR-CQSZACIVSA-N -2 3 393.303 2.792 20 0 GFADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-])C1CC1 ZINC000554430820 564760449 /nfs/dbraw/zinc/76/04/49/564760449.db2.gz SKPBAQLCGCRIIP-HQJQHLMTSA-N -2 3 385.335 2.502 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)CC(=O)[O-] ZINC000580686976 564769190 /nfs/dbraw/zinc/76/91/90/564769190.db2.gz LAJWPAOZRDKXMP-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CCOc1cc([N-]S(=O)(=O)CCC(F)(F)F)c(C(=O)[O-])cc1OCC ZINC000555974171 564810454 /nfs/dbraw/zinc/81/04/54/564810454.db2.gz MEGPCPZYRNHWQL-UHFFFAOYSA-N -2 3 385.360 2.876 20 0 GFADHL CC(C)(CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000582264663 564837665 /nfs/dbraw/zinc/83/76/65/564837665.db2.gz UVAKXTBFHFEPFC-UHFFFAOYSA-N -2 3 382.360 2.516 20 0 GFADHL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC000504704491 565043581 /nfs/dbraw/zinc/04/35/81/565043581.db2.gz XCBHFIKMXKQLAG-LLVKDONJSA-N -2 3 379.459 2.988 20 0 GFADHL CCC[C@H](CC)S(=O)(=O)[N-]c1c(C(=O)[O-])cc(OC)c(OC)c1OC ZINC000684845812 565085515 /nfs/dbraw/zinc/08/55/15/565085515.db2.gz SUNJXYMTXMXPML-JTQLQIEISA-N -2 3 375.443 2.731 20 0 GFADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Br)c(F)cc2[O-])n1 ZINC000636110173 565091297 /nfs/dbraw/zinc/09/12/97/565091297.db2.gz BGUZYYQVLXSNRC-UHFFFAOYSA-N -2 3 384.205 2.763 20 0 GFADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-])C1CC1 ZINC000644629210 565485068 /nfs/dbraw/zinc/48/50/68/565485068.db2.gz BPTRZCIGXHWFRM-MADCSZMMSA-N -2 3 385.335 2.502 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1)C1CC1 ZINC000647132573 565640793 /nfs/dbraw/zinc/64/07/93/565640793.db2.gz DARBQVDVAFFFJM-ZDUSSCGKSA-N -2 3 392.271 2.622 20 0 GFADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650406203 565818097 /nfs/dbraw/zinc/81/80/97/565818097.db2.gz ICQWHNMOBZPKDV-SSDOTTSWSA-N -2 3 375.752 2.770 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)CC1CC1 ZINC000650430141 565820175 /nfs/dbraw/zinc/82/01/75/565820175.db2.gz GPZXVTYMVAGXQL-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000650447473 565822224 /nfs/dbraw/zinc/82/22/24/565822224.db2.gz HUILAKQXHFLHCH-UHFFFAOYSA-N -2 3 375.324 2.964 20 0 GFADHL CCO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000629289231 565835828 /nfs/dbraw/zinc/83/58/28/565835828.db2.gz OBBQCKZLLOXJHS-ZDUSSCGKSA-N -2 3 381.372 2.960 20 0 GFADHL Cc1nc(CCC[N-]S(=O)(=O)c2ccc(C)c(F)c2F)sc1C(=O)[O-] ZINC000629294611 565837132 /nfs/dbraw/zinc/83/71/32/565837132.db2.gz ZJOPFLJBLLVFLA-UHFFFAOYSA-N -2 3 390.433 2.647 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000629334620 565845001 /nfs/dbraw/zinc/84/50/01/565845001.db2.gz UTUIBARJYLKVRO-DDTOSNHZSA-N -2 3 399.877 2.725 20 0 GFADHL O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000679396352 566040462 /nfs/dbraw/zinc/04/04/62/566040462.db2.gz HGPSOEXZFNCOFB-NSHDSACASA-N -2 3 393.237 2.760 20 0 GFADHL COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000656180579 566111781 /nfs/dbraw/zinc/11/17/81/566111781.db2.gz KKNDDHGTOYNTQE-NSHDSACASA-N -2 3 393.889 2.776 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000681573723 566113669 /nfs/dbraw/zinc/11/36/69/566113669.db2.gz ABWQMYSBPSKXPP-NSHDSACASA-N -2 3 377.390 2.529 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000683729317 566211518 /nfs/dbraw/zinc/21/15/18/566211518.db2.gz IFFHJIVZWWRIRT-CQSZACIVSA-N -2 3 391.779 2.731 20 0 GFADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-] ZINC000261749813 597372703 /nfs/dbraw/zinc/37/27/03/597372703.db2.gz WDMGDVZWIYIDIS-UHFFFAOYSA-N -2 3 385.463 2.610 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1OCC(F)F ZINC000737362932 598366999 /nfs/dbraw/zinc/36/69/99/598366999.db2.gz YXICVNCVSVHFRE-UHFFFAOYSA-N -2 3 395.391 2.620 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736445163 598536501 /nfs/dbraw/zinc/53/65/01/598536501.db2.gz JXNLMIHKKFRILC-AWEZNQCLSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736445163 598536502 /nfs/dbraw/zinc/53/65/02/598536502.db2.gz JXNLMIHKKFRILC-AWEZNQCLSA-N -2 3 393.513 2.809 20 0 GFADHL CCc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000736690244 598547992 /nfs/dbraw/zinc/54/79/92/598547992.db2.gz IAHXBCFJFBJAJU-UHFFFAOYSA-N -2 3 395.391 2.831 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000103059350 598662833 /nfs/dbraw/zinc/66/28/33/598662833.db2.gz XAORRDJESNQZET-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000737199208 598722863 /nfs/dbraw/zinc/72/28/63/598722863.db2.gz GACIYOBIWPDUNU-UHFFFAOYSA-N -2 3 388.815 2.514 20 0 GFADHL Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000737199208 598722864 /nfs/dbraw/zinc/72/28/64/598722864.db2.gz GACIYOBIWPDUNU-UHFFFAOYSA-N -2 3 388.815 2.514 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000736487994 599313741 /nfs/dbraw/zinc/31/37/41/599313741.db2.gz NDMSXPQEYINVTD-UHFFFAOYSA-N -2 3 390.444 2.937 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000822431860 607377209 /nfs/dbraw/zinc/37/72/09/607377209.db2.gz MNOTWSAIOCAOCD-UHFFFAOYSA-N -2 3 394.482 2.528 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000822431860 607377211 /nfs/dbraw/zinc/37/72/11/607377211.db2.gz MNOTWSAIOCAOCD-UHFFFAOYSA-N -2 3 394.482 2.528 20 0 GFADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000736329960 599615986 /nfs/dbraw/zinc/61/59/86/599615986.db2.gz BEBDZMVVULNDSV-AWEZNQCLSA-N -2 3 399.476 2.564 20 0 GFADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000736329960 599615988 /nfs/dbraw/zinc/61/59/88/599615988.db2.gz BEBDZMVVULNDSV-AWEZNQCLSA-N -2 3 399.476 2.564 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2nc3cc(Cl)ccc3s2)o1 ZINC000740176869 599768399 /nfs/dbraw/zinc/76/83/99/599768399.db2.gz VGCUJKPFTBIJAO-UHFFFAOYSA-N -2 3 386.838 2.762 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000579226549 599776790 /nfs/dbraw/zinc/77/67/90/599776790.db2.gz RKDIPRJOAQELIN-GXSJLCMTSA-N -2 3 375.324 2.831 20 0 GFADHL CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)c2C1 ZINC000737031062 600100423 /nfs/dbraw/zinc/10/04/23/600100423.db2.gz WVAQRPQWLDDHQV-UHFFFAOYSA-N -2 3 390.461 2.676 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)CCCCCC2)no1 ZINC000564922871 600163858 /nfs/dbraw/zinc/16/38/58/600163858.db2.gz HOJAHZGCPOUCTE-UHFFFAOYSA-N -2 3 393.465 2.745 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(F)cc1Br ZINC000740088401 600241357 /nfs/dbraw/zinc/24/13/57/600241357.db2.gz VSOBMYMKSURUNW-MRVPVSSYSA-N -2 3 378.219 2.673 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c([O-])c1 ZINC000738514312 600331764 /nfs/dbraw/zinc/33/17/64/600331764.db2.gz AWDHWLCDTWAFMN-UHFFFAOYSA-N -2 3 385.420 2.569 20 0 GFADHL O=C([O-])c1cc(-c2csc(NC(=O)c3nnc4ccccc4c3[O-])n2)c[nH]1 ZINC000740068438 600360368 /nfs/dbraw/zinc/36/03/68/600360368.db2.gz GEKGYBANDRMMAL-UHFFFAOYSA-N -2 3 381.373 2.738 20 0 GFADHL O=C([O-])CCCOc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000739682265 600518842 /nfs/dbraw/zinc/51/88/42/600518842.db2.gz FUBXZLBIEPQNBH-UHFFFAOYSA-N -2 3 385.388 2.687 20 0 GFADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000826114806 600775226 /nfs/dbraw/zinc/77/52/26/600775226.db2.gz VBSIFIZHWOVQEW-KRWDZBQOSA-N -2 3 396.443 2.998 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1 ZINC000327279049 601117672 /nfs/dbraw/zinc/11/76/72/601117672.db2.gz VEOXZCJRIFVXEB-UHFFFAOYSA-N -2 3 399.837 2.609 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)C)c2ccccc2)cc1C(=O)[O-] ZINC000833028947 601215637 /nfs/dbraw/zinc/21/56/37/601215637.db2.gz UVWUZVSJZMWNEY-HNNXBMFYSA-N -2 3 395.433 2.648 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)ccc1C(=O)[O-] ZINC000284981440 601223947 /nfs/dbraw/zinc/22/39/47/601223947.db2.gz DPMHFZRLGDZVLI-UHFFFAOYSA-N -2 3 379.434 2.644 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc3C2)c1F ZINC000833294384 601237772 /nfs/dbraw/zinc/23/77/72/601237772.db2.gz RNMUSDLSFUDAIB-LLVKDONJSA-N -2 3 381.400 2.746 20 0 GFADHL Cc1cccc2c(CC[N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3F)c[nH]c21 ZINC000832974008 601240496 /nfs/dbraw/zinc/24/04/96/601240496.db2.gz HVODKIRQRGJNCG-UHFFFAOYSA-N -2 3 394.399 2.974 20 0 GFADHL Cc1nc(-c2ccc(CC[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)cs1 ZINC000832991298 601257417 /nfs/dbraw/zinc/25/74/17/601257417.db2.gz SZDWJHYNFPMYRQ-UHFFFAOYSA-N -2 3 392.458 2.931 20 0 GFADHL C[C@@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@@H]1C(=O)[O-] ZINC000828465419 601517239 /nfs/dbraw/zinc/51/72/39/601517239.db2.gz XUOCIHMEXNOYAU-MFKMUULPSA-N -2 3 387.436 2.943 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(F)c2)C(=O)[O-])c(F)cc1F ZINC000832903528 601835401 /nfs/dbraw/zinc/83/54/01/601835401.db2.gz KLAZJZCEBUPRHV-GFCCVEGCSA-N -2 3 387.379 2.634 20 0 GFADHL C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000828508596 601862305 /nfs/dbraw/zinc/86/23/05/601862305.db2.gz GIQHTMWWWIDLEZ-GFCCVEGCSA-N -2 3 394.424 2.550 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1-c1nn[n-]n1 ZINC000826304056 607533016 /nfs/dbraw/zinc/53/30/16/607533016.db2.gz UJUPICAWYKCCBG-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccccc2-n2cccn2)cc1C(=O)[O-] ZINC000833029025 601964396 /nfs/dbraw/zinc/96/43/96/601964396.db2.gz XJMAQQQALUDRAR-NSHDSACASA-N -2 3 375.406 2.511 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1-c1nn[n-]n1 ZINC000826303769 607536168 /nfs/dbraw/zinc/53/61/68/607536168.db2.gz DLEMHFJKVKCABJ-UHFFFAOYSA-N -2 3 397.464 2.907 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1-c1ncco1 ZINC000826291498 607538069 /nfs/dbraw/zinc/53/80/69/607538069.db2.gz JCZJYUCKNVUQAV-UHFFFAOYSA-N -2 3 396.432 2.939 20 0 GFADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000826528145 602121313 /nfs/dbraw/zinc/12/13/13/602121313.db2.gz LCJKHVPGVSYAEQ-UHFFFAOYSA-N -2 3 389.886 2.666 20 0 GFADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@H](C)C1 ZINC000070112827 602154893 /nfs/dbraw/zinc/15/48/93/602154893.db2.gz YGNRDDONVDYIIH-HLTSFMKQSA-N -2 3 380.260 2.843 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1 ZINC000468873765 602308778 /nfs/dbraw/zinc/30/87/78/602308778.db2.gz GZGSHFGXXGHRQI-UHFFFAOYSA-N -3 3 391.401 2.542 20 0 GFADHL O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000740514080 602316470 /nfs/dbraw/zinc/31/64/70/602316470.db2.gz XQXCRERPJRTBMG-VIFPVBQESA-N -2 3 384.351 2.513 20 0 GFADHL COC(=O)c1c([N-]C(=O)c2cc(C(C)C)no2)sc2c1CCN(C(=O)[O-])C2 ZINC000739780403 603025073 /nfs/dbraw/zinc/02/50/73/603025073.db2.gz UZEDCULDALEIKC-UHFFFAOYSA-N -2 3 393.421 2.935 20 0 GFADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cc(C)sc2C(=O)[O-])c1C ZINC000829869899 604356153 /nfs/dbraw/zinc/35/61/53/604356153.db2.gz SNAONDVDOZKGPT-UHFFFAOYSA-N -2 3 387.435 2.644 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)c(Br)o1 ZINC000315294387 604660178 /nfs/dbraw/zinc/66/01/78/604660178.db2.gz XDSOJUMRQUIIIM-AMDVSUOASA-N -2 3 378.244 2.597 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-])c1noc(-c2ccccc2)n1 ZINC000833523003 604692868 /nfs/dbraw/zinc/69/28/68/604692868.db2.gz IJSHOIIWEFQPOB-JTQLQIEISA-N -2 3 391.380 2.613 20 0 GFADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(C(=O)NCCC(=O)[O-])cc3)c([O-])c2O1 ZINC000833562485 604708047 /nfs/dbraw/zinc/70/80/47/604708047.db2.gz RWLONPVGNGAHNM-UHFFFAOYSA-N -2 3 398.415 2.563 20 0 GFADHL CCCN(CC(=O)[O-])Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000737824988 604965564 /nfs/dbraw/zinc/96/55/64/604965564.db2.gz DJWLMVZOQNUVRM-UHFFFAOYSA-N -2 3 387.461 2.957 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])CCCCCC2)no1 ZINC000645952867 605017038 /nfs/dbraw/zinc/01/70/38/605017038.db2.gz BWKLBQNYPKEULX-UHFFFAOYSA-N -2 3 393.465 2.913 20 0 GFADHL CN(C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-])c1ccccc1C(=O)[O-] ZINC000833685725 605056997 /nfs/dbraw/zinc/05/69/97/605056997.db2.gz LCYQYZLQVHHZFX-UHFFFAOYSA-N -2 3 381.743 2.703 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](NC(=O)[O-])C[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000830684935 605473977 /nfs/dbraw/zinc/47/39/77/605473977.db2.gz CWUOCAWXBXVUQQ-XHDPSFHLSA-N -2 3 385.424 2.810 20 0 GFADHL COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1NC(=O)[O-] ZINC000833888157 605756862 /nfs/dbraw/zinc/75/68/62/605756862.db2.gz VQTGNYUEYWNXCF-UHFFFAOYSA-N -2 3 378.406 2.911 20 0 GFADHL O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000834245921 606080952 /nfs/dbraw/zinc/08/09/52/606080952.db2.gz RIXYLLXFSQXUGG-UHFFFAOYSA-N -2 3 387.417 2.682 20 0 GFADHL O=S(=O)([N-]c1ccsc1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823589049 606340164 /nfs/dbraw/zinc/34/01/64/606340164.db2.gz JXXUTJGINCOQKT-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL O=S(=O)([N-]c1ccsc1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823589049 606340165 /nfs/dbraw/zinc/34/01/65/606340165.db2.gz JXXUTJGINCOQKT-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000822035281 606622120 /nfs/dbraw/zinc/62/21/20/606622120.db2.gz RTMTZDFOFNYDMS-UHFFFAOYSA-N -2 3 395.876 2.581 20 0 GFADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821673945 606866367 /nfs/dbraw/zinc/86/63/67/606866367.db2.gz OZFVPAWLGQEAPV-VIFPVBQESA-N -2 3 395.391 2.653 20 0 GFADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821673945 606866370 /nfs/dbraw/zinc/86/63/70/606866370.db2.gz OZFVPAWLGQEAPV-VIFPVBQESA-N -2 3 395.391 2.653 20 0 GFADHL O=S(=O)([N-]c1cc(F)ccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823583066 606866914 /nfs/dbraw/zinc/86/69/14/606866914.db2.gz GOIVZABYNPPZID-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL O=S(=O)([N-]c1cc(F)ccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823583066 606866916 /nfs/dbraw/zinc/86/69/16/606866916.db2.gz GOIVZABYNPPZID-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822288569 606892028 /nfs/dbraw/zinc/89/20/28/606892028.db2.gz BVGHIXRCKBGFPH-NSHDSACASA-N -2 3 393.419 2.535 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000821910790 607155323 /nfs/dbraw/zinc/15/53/23/607155323.db2.gz HBNFXDKSNHTKKT-UHFFFAOYSA-N -2 3 395.466 2.525 20 0 GFADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826493167 607982951 /nfs/dbraw/zinc/98/29/51/607982951.db2.gz WTODUAUGJYYHTE-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826493167 607982952 /nfs/dbraw/zinc/98/29/52/607982952.db2.gz WTODUAUGJYYHTE-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL CC(C)(CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000824152527 608287499 /nfs/dbraw/zinc/28/74/99/608287499.db2.gz GKGKDOJXOLOSST-UHFFFAOYSA-N -2 3 379.420 2.651 20 0 GFADHL CC(C)(CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000824152527 608287500 /nfs/dbraw/zinc/28/75/00/608287500.db2.gz GKGKDOJXOLOSST-UHFFFAOYSA-N -2 3 379.420 2.651 20 0 GFADHL CSc1ccc(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)o1 ZINC000486708890 650719568 /nfs/dbraw/zinc/71/95/68/650719568.db2.gz MBUIFORZTZREHL-UHFFFAOYSA-N -2 3 396.475 2.906 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826299766 660452520 /nfs/dbraw/zinc/45/25/20/660452520.db2.gz UJOYUTXDOAKMPK-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)ccc1Br ZINC000026543803 654557632 /nfs/dbraw/zinc/55/76/32/654557632.db2.gz MRYNYKWBVYEIBD-UHFFFAOYSA-N -2 3 398.234 2.883 20 0 GFADHL O=C([N-][N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccccc1F ZINC000032586604 654605341 /nfs/dbraw/zinc/60/53/41/654605341.db2.gz XMFRFGDDZGMPCL-UHFFFAOYSA-N -2 3 394.758 2.704 20 0 GFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837287059 660982317 /nfs/dbraw/zinc/98/23/17/660982317.db2.gz AEGGFNJPCGRYGD-QMMMGPOBSA-N -2 3 399.694 2.809 20 0 GFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000837294173 660983922 /nfs/dbraw/zinc/98/39/22/660983922.db2.gz YZBBOWNRFXAMIR-MRVPVSSYSA-N -2 3 398.264 2.702 20 0 GFADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)(C(=O)[O-])C1(C)C ZINC000276655551 655282411 /nfs/dbraw/zinc/28/24/11/655282411.db2.gz YEWBNMKKRBBIKD-YMTOWFKASA-N -2 3 381.903 2.647 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])s1 ZINC000576338577 655445824 /nfs/dbraw/zinc/44/58/24/655445824.db2.gz ULAWUPGVPXPZOD-NSHDSACASA-N -2 3 395.289 2.733 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c(Br)s1 ZINC000701931989 655521574 /nfs/dbraw/zinc/52/15/74/655521574.db2.gz QDYZSQOLAWRDRL-RXMQYKEDSA-N -2 3 390.227 2.532 20 0 GFADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1)C(F)(F)F ZINC000768056937 656231877 /nfs/dbraw/zinc/23/18/77/656231877.db2.gz XIMBPMJXZFMHKM-UHFFFAOYSA-N -2 3 378.303 2.833 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(F)c(Cl)c1F ZINC000779842682 656948848 /nfs/dbraw/zinc/94/88/48/656948848.db2.gz RSRLJYGCPNELQM-UHFFFAOYSA-N -3 3 381.715 2.962 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])c(C)c1Cl ZINC000788442568 657718286 /nfs/dbraw/zinc/71/82/86/657718286.db2.gz PDYUBTNGXWLBKD-MRVPVSSYSA-N -2 3 397.902 2.664 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C(=O)CC)ccc2Cl)c[n-]1 ZINC000789741059 657887228 /nfs/dbraw/zinc/88/72/28/657887228.db2.gz SZPOMXASAKOGSV-UHFFFAOYSA-N -2 3 385.829 2.633 20 0 GFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000806634700 659838263 /nfs/dbraw/zinc/83/82/63/659838263.db2.gz KMYALHFLVFXNDU-PSASIEDQSA-N -2 3 387.351 2.892 20 0 GFADHL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000844788297 661439696 /nfs/dbraw/zinc/43/96/96/661439696.db2.gz XIUJMIAGMKHPPQ-VIFPVBQESA-N -2 3 387.763 2.617 20 0 GFADHL CCCCc1nnc([N-]C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)s1 ZINC000858689747 662119526 /nfs/dbraw/zinc/11/95/26/662119526.db2.gz JSINXHFMWJBGSA-UHFFFAOYSA-N -2 3 376.360 2.905 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)CCS2 ZINC000899949101 663703688 /nfs/dbraw/zinc/70/36/88/663703688.db2.gz LPBLGGMIKPRXKL-WWNCPBBQSA-N -2 3 395.424 2.511 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C=CC[C@H](C(=O)[O-])C2)s1 ZINC000906001002 663907019 /nfs/dbraw/zinc/90/70/19/663907019.db2.gz VKCSFGVTLMJORT-IUCAKERBSA-N -2 3 380.285 2.517 20 0 GFADHL O=C([O-])CS[C@@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000910350003 664206493 /nfs/dbraw/zinc/20/64/93/664206493.db2.gz JOFSLZLWNRYVBM-VIFPVBQESA-N -2 3 391.289 2.890 20 0 GFADHL CC(C)CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000392177167 677409467 /nfs/dbraw/zinc/40/94/67/677409467.db2.gz VPERDUNXALICFA-UHFFFAOYSA-N -2 3 380.260 2.845 20 0 GFADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000130626297 551367202 /nfs/dbraw/zinc/36/72/02/551367202.db2.gz KUPSOGCANFYMAK-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000130626297 551367204 /nfs/dbraw/zinc/36/72/04/551367204.db2.gz KUPSOGCANFYMAK-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000164315551 551625256 /nfs/dbraw/zinc/62/52/56/551625256.db2.gz JKTAXUZODDQEMX-UHFFFAOYSA-N -2 3 384.248 2.898 20 0 GFADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000164315551 551625257 /nfs/dbraw/zinc/62/52/57/551625257.db2.gz JKTAXUZODDQEMX-UHFFFAOYSA-N -2 3 384.248 2.898 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000164881445 551627722 /nfs/dbraw/zinc/62/77/22/551627722.db2.gz MQGDJQGKWWANNY-YPMHNXCESA-N -2 3 380.235 2.510 20 0 GFADHL Cc1cc(C)c(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)o1 ZINC000176116697 552136149 /nfs/dbraw/zinc/13/61/49/552136149.db2.gz XWUWFHVRPDDZGZ-UHFFFAOYSA-N -2 3 378.435 2.801 20 0 GFADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000263031349 553181046 /nfs/dbraw/zinc/18/10/46/553181046.db2.gz CGBDFEBSCNFHET-UHFFFAOYSA-N -2 3 385.335 2.646 20 0 GFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000296858500 563305680 /nfs/dbraw/zinc/30/56/80/563305680.db2.gz DBVSDSAZQHGSMI-CYBMUJFWSA-N -2 3 393.889 2.677 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000424363699 563376819 /nfs/dbraw/zinc/37/68/19/563376819.db2.gz BZSYWGMDBSVWKH-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000424389985 563378199 /nfs/dbraw/zinc/37/81/99/563378199.db2.gz IXXKZRXWTDFKSF-NSHDSACASA-N -2 3 393.889 2.533 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](CC)CC(=O)[O-] ZINC000316847917 563441569 /nfs/dbraw/zinc/44/15/69/563441569.db2.gz NMHCWZBWKPEHPE-SNVBAGLBSA-N -2 3 394.287 2.627 20 0 GFADHL COc1cc(CNCc2nc(C)c(C(=O)[O-])s2)cc(Br)c1[O-] ZINC000426677856 563454196 /nfs/dbraw/zinc/45/41/96/563454196.db2.gz AMCDPUWZUXONHB-UHFFFAOYSA-N -2 3 387.255 2.916 20 0 GFADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(F)(F)F ZINC000285195738 563508171 /nfs/dbraw/zinc/50/81/71/563508171.db2.gz QYBCPABBIDVKOP-ZETCQYMHSA-N -2 3 377.743 2.801 20 0 GFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000388179433 563520288 /nfs/dbraw/zinc/52/02/88/563520288.db2.gz MJBVWGLLKKSPKZ-PWSUYJOCSA-N -2 3 394.262 2.900 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000399478340 563533731 /nfs/dbraw/zinc/53/37/31/563533731.db2.gz WTZLVLLNJOQOKY-UFBFGSQYSA-N -2 3 382.251 2.612 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(F)c1 ZINC000442848231 563782293 /nfs/dbraw/zinc/78/22/93/563782293.db2.gz MQLCBCNBITZWHY-UHFFFAOYSA-N -2 3 384.410 2.744 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@]2(C)CC=CCC2)c(F)c1 ZINC000416560809 563848240 /nfs/dbraw/zinc/84/82/40/563848240.db2.gz RLHIBIBMJYDJJN-INIZCTEOSA-N -2 3 390.502 2.755 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1nc(C(F)(F)F)cs1 ZINC000564917560 564257608 /nfs/dbraw/zinc/25/76/08/564257608.db2.gz XTAGDYKVTCQVMU-ZCFIWIBFSA-N -2 3 384.357 2.883 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC(C)(C)C)c(F)c1 ZINC000451047476 564267180 /nfs/dbraw/zinc/26/71/80/564267180.db2.gz SOMROZYOWWYHAF-UHFFFAOYSA-N -2 3 380.507 2.692 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](CC)C(C)C)c(F)c1 ZINC000451111700 564276689 /nfs/dbraw/zinc/27/66/89/564276689.db2.gz UBADKZNMZNOESO-AWEZNQCLSA-N -2 3 380.507 2.690 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1F ZINC000509629863 564307233 /nfs/dbraw/zinc/30/72/33/564307233.db2.gz YILBCRFTVLIZCT-UHFFFAOYSA-N -2 3 377.752 2.882 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)CCC2CC2)c(F)c1 ZINC000451404327 564309437 /nfs/dbraw/zinc/30/94/37/564309437.db2.gz NVJJNLIEKUSBPY-LBPRGKRZSA-N -2 3 392.518 2.834 20 0 GFADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000476410463 564337865 /nfs/dbraw/zinc/33/78/65/564337865.db2.gz NWPZWPDOHRCRBW-UHFFFAOYSA-N -2 3 385.825 2.519 20 0 GFADHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000567603360 564379928 /nfs/dbraw/zinc/37/99/28/564379928.db2.gz LMIDFOWCFOVQFJ-NSHDSACASA-N -2 3 381.372 2.739 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000567803043 564389761 /nfs/dbraw/zinc/38/97/61/564389761.db2.gz JWSUEIOJTFRQPL-GFCCVEGCSA-N -2 3 385.825 2.996 20 0 GFADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000567885483 564394471 /nfs/dbraw/zinc/39/44/71/564394471.db2.gz UPWRMKJIOPINIT-SCZZXKLOSA-N -2 3 380.235 2.510 20 0 GFADHL O=S(=O)([N-]CCNCc1c(F)ccc([O-])c1F)c1ccc(Cl)cc1F ZINC000513496956 564431254 /nfs/dbraw/zinc/43/12/54/564431254.db2.gz OCAOYEWFAMDZPC-UHFFFAOYSA-N -2 3 394.802 2.531 20 0 GFADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000568750202 564433030 /nfs/dbraw/zinc/43/30/30/564433030.db2.gz ZCIRFUMOTDYVIB-ZDUSSCGKSA-N -2 3 394.852 2.605 20 0 GFADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1C(=O)[O-] ZINC000479268638 564433633 /nfs/dbraw/zinc/43/36/33/564433633.db2.gz QXZLNDJAIOWMSO-UHFFFAOYSA-N -2 3 385.825 2.519 20 0 GFADHL Cc1csc(S(=O)(=O)[N-][C@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000515133255 564470718 /nfs/dbraw/zinc/47/07/18/564470718.db2.gz VMNNJQDEYUTFIB-GFCCVEGCSA-N -2 3 391.417 2.632 20 0 GFADHL O=S(=O)([N-]Cc1ncccc1[O-])c1cc(Br)ccc1Cl ZINC000480726104 564485303 /nfs/dbraw/zinc/48/53/03/564485303.db2.gz GYXGWGJIQZXQAZ-UHFFFAOYSA-N -2 3 377.647 2.682 20 0 GFADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])cc1Cl ZINC000547576343 564496534 /nfs/dbraw/zinc/49/65/34/564496534.db2.gz PNCXGXRJIMTRJB-SECBINFHSA-N -2 3 394.852 2.749 20 0 GFADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c1 ZINC000547577579 564497571 /nfs/dbraw/zinc/49/75/71/564497571.db2.gz UVVNGHWKSWVRQR-JTQLQIEISA-N -2 3 394.287 2.770 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c(Cl)c1 ZINC000547614864 564503262 /nfs/dbraw/zinc/50/32/62/564503262.db2.gz PVKYJRDTTPFTIS-UHFFFAOYSA-N -2 3 391.873 2.686 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@H](Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000547613936 564503413 /nfs/dbraw/zinc/50/34/13/564503413.db2.gz GSPDVCWPRUNHJY-LLVKDONJSA-N -2 3 393.845 2.523 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1Br ZINC000481465498 564513662 /nfs/dbraw/zinc/51/36/62/564513662.db2.gz KILMBLQHADPBKQ-UHFFFAOYSA-N -3 3 386.223 2.962 20 0 GFADHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000547893113 564516626 /nfs/dbraw/zinc/51/66/26/564516626.db2.gz XTNNHTICMILHNV-GFCCVEGCSA-N -2 3 394.262 2.900 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])ccc1[O-] ZINC000481608906 564517932 /nfs/dbraw/zinc/51/79/32/564517932.db2.gz GFYRIAJCBHFDKB-UHFFFAOYSA-N -3 3 384.797 2.503 20 0 GFADHL COc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])cc1F ZINC000548554327 564559357 /nfs/dbraw/zinc/55/93/57/564559357.db2.gz GVUAWYKHRBDOMA-CQSZACIVSA-N -2 3 391.779 2.731 20 0 GFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000548557558 564560080 /nfs/dbraw/zinc/56/00/80/564560080.db2.gz ISGULWQTWNZHNX-VIFPVBQESA-N -2 3 382.251 2.900 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCOCC2)c1Cl ZINC000548593532 564565611 /nfs/dbraw/zinc/56/56/11/564565611.db2.gz DTJDAYMHVMQEEJ-LBPRGKRZSA-N -2 3 396.292 2.850 20 0 GFADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000572552116 564600042 /nfs/dbraw/zinc/60/00/42/564600042.db2.gz HCXJJNNTCBNJJK-JTQLQIEISA-N -2 3 385.335 2.646 20 0 GFADHL CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000520682965 564610025 /nfs/dbraw/zinc/61/00/25/564610025.db2.gz DAYIUDXUOFHWPC-RYUDHWBXSA-N -2 3 393.889 2.533 20 0 GFADHL COC1(CS(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)CCCC1 ZINC000521322846 564624819 /nfs/dbraw/zinc/62/48/19/564624819.db2.gz NNHPDRYWLPVXIZ-CYBMUJFWSA-N -2 3 396.292 2.998 20 0 GFADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-])C1CC1 ZINC000551244595 564643915 /nfs/dbraw/zinc/64/39/15/564643915.db2.gz HZOFEWSSVGJXNZ-JVXZTZIISA-N -2 3 396.690 2.880 20 0 GFADHL O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)c([O-])cc1F ZINC000553683430 564731413 /nfs/dbraw/zinc/73/14/13/564731413.db2.gz UJUFWDASEPBXGB-UHFFFAOYSA-N -2 3 378.834 2.553 20 0 GFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(=O)[O-] ZINC000490882305 564783264 /nfs/dbraw/zinc/78/32/64/564783264.db2.gz FCONHLLNCVEKMQ-OAHLLOKOSA-N -2 3 375.874 2.906 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]Cc2ccc([O-])c(Br)c2)s1 ZINC000460905963 564783876 /nfs/dbraw/zinc/78/38/76/564783876.db2.gz JYRWNBIOMPUHGR-UHFFFAOYSA-N -2 3 377.285 2.652 20 0 GFADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000582301745 564839849 /nfs/dbraw/zinc/83/98/49/564839849.db2.gz SXXAWLYGLIGNCS-KOLCDFICSA-N -2 3 380.235 2.510 20 0 GFADHL CCCCOc1ccc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000582963436 564869930 /nfs/dbraw/zinc/86/99/30/564869930.db2.gz ZXVTXYYROTZMLT-UHFFFAOYSA-N -2 3 384.479 2.541 20 0 GFADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C(C)C ZINC000583141043 564877190 /nfs/dbraw/zinc/87/71/90/564877190.db2.gz UQUWZGDLSOWWFL-CQSZACIVSA-N -2 3 394.287 2.625 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])cc1Cl ZINC000530367999 564878944 /nfs/dbraw/zinc/87/89/44/564878944.db2.gz GOFFNPXRWXFBMY-NSHDSACASA-N -2 3 382.265 2.924 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[O-])CCCC1 ZINC000584026083 564917051 /nfs/dbraw/zinc/91/70/51/564917051.db2.gz OKYCLMRDLWCQGH-UHFFFAOYSA-N -2 3 381.372 2.886 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccsc2)c(OC)c1 ZINC000534162571 564981064 /nfs/dbraw/zinc/98/10/64/564981064.db2.gz GHNPTLWDFJLWRK-UHFFFAOYSA-N -2 3 390.508 2.709 20 0 GFADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)ccc1F ZINC000535138523 565005873 /nfs/dbraw/zinc/00/58/73/565005873.db2.gz UFCLICJTFOLBCA-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])c1Cl ZINC000562319836 565024400 /nfs/dbraw/zinc/02/44/00/565024400.db2.gz CMUDOKLQDIZCCD-LLVKDONJSA-N -2 3 378.233 2.869 20 0 GFADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000562643952 565037622 /nfs/dbraw/zinc/03/76/22/565037622.db2.gz QRGVWDOMNBBUSC-JQWIXIFHSA-N -2 3 380.388 2.802 20 0 GFADHL CCO[C@@H](CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)C1CCCC1 ZINC000563069535 565054390 /nfs/dbraw/zinc/05/43/90/565054390.db2.gz RRXBHEFKBLDCCN-LBPRGKRZSA-N -2 3 391.511 2.719 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c[n-]1 ZINC000585730561 565107540 /nfs/dbraw/zinc/10/75/40/565107540.db2.gz YAPKAUVFYOGZJL-UHFFFAOYSA-N -2 3 381.307 2.545 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[n-]1 ZINC000585730561 565107545 /nfs/dbraw/zinc/10/75/45/565107545.db2.gz YAPKAUVFYOGZJL-UHFFFAOYSA-N -2 3 381.307 2.545 20 0 GFADHL Cn1nc2c(c1S(=O)(=O)[N-]c1cccc([O-])c1Br)CCCC2 ZINC000641688250 565394282 /nfs/dbraw/zinc/39/42/82/565394282.db2.gz JJZOTRBEPZTIAI-UHFFFAOYSA-N -2 3 386.271 2.568 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CCC1 ZINC000663254598 565404060 /nfs/dbraw/zinc/40/40/60/565404060.db2.gz BECDQRGCRRYESY-SNVBAGLBSA-N -2 3 396.690 2.882 20 0 GFADHL CC(C)c1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2Cl)c[nH]1 ZINC000663294532 565409010 /nfs/dbraw/zinc/40/90/10/565409010.db2.gz TWIMFLOHIBEISP-LBPRGKRZSA-N -2 3 392.264 2.944 20 0 GFADHL O=C([O-])[C@H]1CCCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000621568221 565430811 /nfs/dbraw/zinc/43/08/11/565430811.db2.gz OSXUMFDMECGACK-CQSZACIVSA-N -2 3 393.237 2.760 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCC1 ZINC000646059986 565585026 /nfs/dbraw/zinc/58/50/26/565585026.db2.gz XYKKIFNAHUIKKI-UHFFFAOYSA-N -2 3 385.438 2.952 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1Cl)CC(=O)[O-] ZINC000671191737 565757199 /nfs/dbraw/zinc/75/71/99/565757199.db2.gz PGBFWGBJKWJXGT-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1Br ZINC000672775021 565816277 /nfs/dbraw/zinc/81/62/77/565816277.db2.gz LAZARQVLLVSANX-SNVBAGLBSA-N -2 3 384.198 2.613 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cscc1Br)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000630446454 565903536 /nfs/dbraw/zinc/90/35/36/565903536.db2.gz SZLLDTSWPNTDHA-HRDYMLBCSA-N -2 3 396.328 2.924 20 0 GFADHL C[C@@](CCF)([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000656724525 566158278 /nfs/dbraw/zinc/15/82/78/566158278.db2.gz LOIJJZGRHPSCGV-AWEZNQCLSA-N -2 3 392.861 2.945 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1cccs1 ZINC000682896780 566174974 /nfs/dbraw/zinc/17/49/74/566174974.db2.gz RXRDPJYUJIOFDV-SECBINFHSA-N -2 3 380.369 2.656 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000683729615 566211284 /nfs/dbraw/zinc/21/12/84/566211284.db2.gz VBRBZSVVMVGYMC-CYBMUJFWSA-N -2 3 383.853 2.885 20 0 GFADHL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736323536 598842593 /nfs/dbraw/zinc/84/25/93/598842593.db2.gz BATLLXZZVWRTDC-LLVKDONJSA-N -2 3 391.428 2.984 20 0 GFADHL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736323536 598842595 /nfs/dbraw/zinc/84/25/95/598842595.db2.gz BATLLXZZVWRTDC-LLVKDONJSA-N -2 3 391.428 2.984 20 0 GFADHL CCCCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736463226 598842693 /nfs/dbraw/zinc/84/26/93/598842693.db2.gz MHPVLIOAEUXUOW-UHFFFAOYSA-N -2 3 391.428 2.986 20 0 GFADHL CCCCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736463226 598842695 /nfs/dbraw/zinc/84/26/95/598842695.db2.gz MHPVLIOAEUXUOW-UHFFFAOYSA-N -2 3 391.428 2.986 20 0 GFADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736668067 598844620 /nfs/dbraw/zinc/84/46/20/598844620.db2.gz VBTUSXJVCOGLGM-UHFFFAOYSA-N -2 3 379.442 2.919 20 0 GFADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736668067 598844621 /nfs/dbraw/zinc/84/46/21/598844621.db2.gz VBTUSXJVCOGLGM-UHFFFAOYSA-N -2 3 379.442 2.919 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821824126 607255177 /nfs/dbraw/zinc/25/51/77/607255177.db2.gz HKKPGPSGIAJCNV-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000823582817 599233907 /nfs/dbraw/zinc/23/39/07/599233907.db2.gz BFAPJNIVFXNKFD-UHFFFAOYSA-N -2 3 390.428 2.634 20 0 GFADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000737062846 599236540 /nfs/dbraw/zinc/23/65/40/599236540.db2.gz RBKFPHIPYUSXRL-UHFFFAOYSA-N -2 3 387.465 2.974 20 0 GFADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736436500 599245644 /nfs/dbraw/zinc/24/56/44/599245644.db2.gz CWPLQUDMWLXPFT-NSHDSACASA-N -2 3 399.904 2.932 20 0 GFADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736436500 599245645 /nfs/dbraw/zinc/24/56/45/599245645.db2.gz CWPLQUDMWLXPFT-NSHDSACASA-N -2 3 399.904 2.932 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000736634546 598307483 /nfs/dbraw/zinc/30/74/83/598307483.db2.gz KYIYPDCDRAEVHS-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000737056324 598356341 /nfs/dbraw/zinc/35/63/41/598356341.db2.gz CQNUNKAAOVQQST-LJQANCHMSA-N -2 3 387.440 2.875 20 0 GFADHL C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000736229048 598481215 /nfs/dbraw/zinc/48/12/15/598481215.db2.gz PVLRQLOQGBDLQT-OLZOCXBDSA-N -2 3 391.497 2.524 20 0 GFADHL C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000736229048 598481217 /nfs/dbraw/zinc/48/12/17/598481217.db2.gz PVLRQLOQGBDLQT-OLZOCXBDSA-N -2 3 391.497 2.524 20 0 GFADHL C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC000736230769 598481354 /nfs/dbraw/zinc/48/13/54/598481354.db2.gz VCURQWVCHVBOGJ-OLZOCXBDSA-N -2 3 391.497 2.524 20 0 GFADHL C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000736230769 598481357 /nfs/dbraw/zinc/48/13/57/598481357.db2.gz VCURQWVCHVBOGJ-OLZOCXBDSA-N -2 3 391.497 2.524 20 0 GFADHL O=S(=O)([N-]c1ncc(Cc2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738339379 598513694 /nfs/dbraw/zinc/51/36/94/598513694.db2.gz MJXRNERSCUMWQB-UHFFFAOYSA-N -2 3 398.473 2.715 20 0 GFADHL O=S(=O)([N-]c1ncc(Cc2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738339379 598513695 /nfs/dbraw/zinc/51/36/95/598513695.db2.gz MJXRNERSCUMWQB-UHFFFAOYSA-N -2 3 398.473 2.715 20 0 GFADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821049631 599623039 /nfs/dbraw/zinc/62/30/39/599623039.db2.gz LWIFATXOTNQSCU-LLVKDONJSA-N -2 3 399.904 2.932 20 0 GFADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821049631 599623040 /nfs/dbraw/zinc/62/30/40/599623040.db2.gz LWIFATXOTNQSCU-LLVKDONJSA-N -2 3 399.904 2.932 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)ccc1C(=O)[O-] ZINC000476729661 599925052 /nfs/dbraw/zinc/92/50/52/599925052.db2.gz CBPHUCCYBNJSPI-UHFFFAOYSA-N -3 3 399.808 2.611 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)[O-])cc1C ZINC000512568365 600021704 /nfs/dbraw/zinc/02/17/04/600021704.db2.gz IRDPFPOPWASPMU-UHFFFAOYSA-N -2 3 381.406 2.520 20 0 GFADHL O=C([O-])CCCOc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000739686523 600497079 /nfs/dbraw/zinc/49/70/79/600497079.db2.gz RMPAPNWMFYWOMC-UHFFFAOYSA-N -2 3 376.384 2.774 20 0 GFADHL O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000740067126 600513415 /nfs/dbraw/zinc/51/34/15/600513415.db2.gz KDCOEFATNRHWFK-UHFFFAOYSA-N -2 3 396.222 2.596 20 0 GFADHL Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)c2)n1 ZINC000738791862 600613146 /nfs/dbraw/zinc/61/31/46/600613146.db2.gz DMBCVQDMDGTSAO-UHFFFAOYSA-N -2 3 385.401 2.657 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000193930466 600627638 /nfs/dbraw/zinc/62/76/38/600627638.db2.gz KQQMZSLXWOXORT-UHFFFAOYSA-N -2 3 378.425 2.854 20 0 GFADHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)ccc1C(=O)[O-] ZINC000831327728 600689338 /nfs/dbraw/zinc/68/93/38/600689338.db2.gz MWPZFFZPTFLORY-UHFFFAOYSA-N -2 3 393.417 2.598 20 0 GFADHL Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)co2)cc1 ZINC000832909245 600792171 /nfs/dbraw/zinc/79/21/71/600792171.db2.gz XTOJDCFIPAVRCD-UHFFFAOYSA-N -2 3 390.392 2.966 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2sccc2Br)cc1C(=O)[O-] ZINC000833027135 601219270 /nfs/dbraw/zinc/21/92/70/601219270.db2.gz PZYMIQJYHKXXBY-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(C)cc3)C2)cc1C(=O)[O-] ZINC000832937627 601223403 /nfs/dbraw/zinc/22/34/03/601223403.db2.gz AIMCTHFIPDGKER-CQSZACIVSA-N -2 3 378.450 2.542 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]C2(c3noc(C(C)C)n3)CCCC2)cc1C(=O)[O-] ZINC000645990311 601227667 /nfs/dbraw/zinc/22/76/67/601227667.db2.gz YGLCUHWGBKKCHZ-UHFFFAOYSA-N -2 3 383.426 2.540 20 0 GFADHL COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832292702 601232594 /nfs/dbraw/zinc/23/25/94/601232594.db2.gz NUWJCHMYESLOEK-NSHDSACASA-N -2 3 399.415 2.971 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)c1F ZINC000833294379 601233138 /nfs/dbraw/zinc/23/31/38/601233138.db2.gz RLNIOUSXFBTGTQ-UHFFFAOYSA-N -2 3 392.383 2.732 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)c1F ZINC000833294915 601236386 /nfs/dbraw/zinc/23/63/86/601236386.db2.gz ZXKFDGKBRGNIHB-SNVBAGLBSA-N -2 3 383.372 2.508 20 0 GFADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C2CC2)s1 ZINC000832986054 601238533 /nfs/dbraw/zinc/23/85/33/601238533.db2.gz TXMIQRAYDQTKGZ-ZDUSSCGKSA-N -2 3 388.417 2.858 20 0 GFADHL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000826800007 601382643 /nfs/dbraw/zinc/38/26/43/601382643.db2.gz DKIWXHLJVJKHSV-SNVBAGLBSA-N -2 3 392.193 2.618 20 0 GFADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000828671923 601478843 /nfs/dbraw/zinc/47/88/43/601478843.db2.gz IOFUBRLTLCFUJJ-CYBMUJFWSA-N -2 3 398.250 2.519 20 0 GFADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000828671924 601478926 /nfs/dbraw/zinc/47/89/26/601478926.db2.gz IOFUBRLTLCFUJJ-ZDUSSCGKSA-N -2 3 398.250 2.519 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Cc2cccc(F)c2)C(=O)[O-])c(F)cc1F ZINC000832903529 601835537 /nfs/dbraw/zinc/83/55/37/601835537.db2.gz KLAZJZCEBUPRHV-LBPRGKRZSA-N -2 3 387.379 2.634 20 0 GFADHL C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000235309200 602146806 /nfs/dbraw/zinc/14/68/06/602146806.db2.gz NJEMAJXLHDVPKB-RKDXNWHRSA-N -2 3 380.260 2.845 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CCCCC1 ZINC000055329900 602157784 /nfs/dbraw/zinc/15/77/84/602157784.db2.gz VBRQGYFPQOWRKY-MRVPVSSYSA-N -2 3 380.260 2.987 20 0 GFADHL CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000300656591 602161638 /nfs/dbraw/zinc/16/16/38/602161638.db2.gz KPLMTPUQUILRIY-CBAPKCEASA-N -2 3 398.300 2.693 20 0 GFADHL CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C[C@H]1OC ZINC000829055362 602221764 /nfs/dbraw/zinc/22/17/64/602221764.db2.gz HHZBQWFRZZVOMG-VXGBXAGGSA-N -2 3 377.409 2.535 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739039194 602315795 /nfs/dbraw/zinc/31/57/95/602315795.db2.gz NMLOTKMQJSHSFE-NXEZZACHSA-N -2 3 398.378 2.901 20 0 GFADHL O=C([O-])N1CC[C@H](CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000740498038 602455200 /nfs/dbraw/zinc/45/52/00/602455200.db2.gz RHHHKKNVWQFYLG-VIFPVBQESA-N -2 3 384.351 2.513 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)NCC[C@H]3CCN(C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740206948 602689536 /nfs/dbraw/zinc/68/95/36/602689536.db2.gz HXUYSCIMGCETFJ-ZDUSSCGKSA-N -2 3 385.424 2.669 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](CNC(=O)[O-])c3ccccc3)cc2)n1 ZINC000829894633 603411019 /nfs/dbraw/zinc/41/10/19/603411019.db2.gz VLIFGCGRBDRTDK-QGZVFWFLSA-N -2 3 392.415 2.735 20 0 GFADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c([O-])c1 ZINC000830217431 604005752 /nfs/dbraw/zinc/00/57/52/604005752.db2.gz WQUDFDFSRVAANC-CYBMUJFWSA-N -2 3 385.420 2.788 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)cc1C(=O)[O-] ZINC000676559301 604873532 /nfs/dbraw/zinc/87/35/32/604873532.db2.gz AAGHTOHOYRKKDL-UHFFFAOYSA-N -2 3 397.359 2.939 20 0 GFADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000485265348 604990850 /nfs/dbraw/zinc/99/08/50/604990850.db2.gz KQFMJODMVRSONW-UHFFFAOYSA-N -2 3 399.852 2.989 20 0 GFADHL COc1ccc(NCc2cccc3c2N(C(=O)[O-])CC3)cc1[N-]S(C)(=O)=O ZINC000829479733 605242758 /nfs/dbraw/zinc/24/27/58/605242758.db2.gz LTLSHKUSKMUMFM-UHFFFAOYSA-N -2 3 391.449 2.719 20 0 GFADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1 ZINC000778659744 606786132 /nfs/dbraw/zinc/78/61/32/606786132.db2.gz GQHVSZITBFAZAY-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000821308862 607032815 /nfs/dbraw/zinc/03/28/15/607032815.db2.gz GMELYIWZKLRTLL-UHFFFAOYSA-N -2 3 398.370 2.517 20 0 GFADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cccc1C(F)(F)F ZINC000822129551 607155454 /nfs/dbraw/zinc/15/54/54/607155454.db2.gz LBMCDVAQOIFJMK-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cccc1C(F)(F)F ZINC000822129551 607155455 /nfs/dbraw/zinc/15/54/55/607155455.db2.gz LBMCDVAQOIFJMK-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493087 609529838 /nfs/dbraw/zinc/52/98/38/609529838.db2.gz SNPAZDAXWPJSLC-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493087 609529840 /nfs/dbraw/zinc/52/98/40/609529840.db2.gz SNPAZDAXWPJSLC-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL CC(C)(C)C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000821246637 660319155 /nfs/dbraw/zinc/31/91/55/660319155.db2.gz DLLJBKSBFJHPCA-ZYHUDNBSSA-N -2 3 384.281 2.522 20 0 GFADHL O=C([O-])c1cccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)c1 ZINC000013346061 654504669 /nfs/dbraw/zinc/50/46/69/654504669.db2.gz FMHGDCHXJPULCO-UHFFFAOYSA-N -2 3 395.746 2.757 20 0 GFADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C2CC2)s1 ZINC000185067456 655362277 /nfs/dbraw/zinc/36/22/77/655362277.db2.gz KNDQQRMWJFTBRI-ZDUSSCGKSA-N -2 3 388.417 2.858 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)c(F)cc1F ZINC000187000121 655372432 /nfs/dbraw/zinc/37/24/32/655372432.db2.gz QATYGFZCNLKUON-UHFFFAOYSA-N -2 3 379.743 2.934 20 0 GFADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000313039863 655379931 /nfs/dbraw/zinc/37/99/31/655379931.db2.gz RHCUQFMZYQBAEY-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Cc1ccccc1 ZINC000738522589 655691091 /nfs/dbraw/zinc/69/10/91/655691091.db2.gz KGJUWWROOBQOGL-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c1 ZINC000840895039 661202004 /nfs/dbraw/zinc/20/20/04/661202004.db2.gz HEBYRLDPFJPGDD-SECBINFHSA-N -2 3 382.265 2.787 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)c1ccc(Cl)cc1 ZINC000776537872 656754398 /nfs/dbraw/zinc/75/43/98/656754398.db2.gz NQFVBPGIYPPLTR-LLVKDONJSA-N -2 3 389.260 2.925 20 0 GFADHL O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000776601198 656764801 /nfs/dbraw/zinc/76/48/01/656764801.db2.gz NVRYJNWXQKKPSI-GFCCVEGCSA-N -2 3 382.265 2.542 20 0 GFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000776615485 656767651 /nfs/dbraw/zinc/76/76/51/656767651.db2.gz MCXDIDZOGGGZOO-AMIZOPFISA-N -2 3 394.852 2.605 20 0 GFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000776615489 656767770 /nfs/dbraw/zinc/76/77/70/656767770.db2.gz MCXDIDZOGGGZOO-OQPBUACISA-N -2 3 394.852 2.605 20 0 GFADHL Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)[N-]OC/C=C\Cl)cs2)c1 ZINC000794293401 658512726 /nfs/dbraw/zinc/51/27/26/658512726.db2.gz OQLIPJPNMAGPCF-DJWKRKHSSA-N -2 3 381.841 2.752 20 0 GFADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1 ZINC000795325572 658805780 /nfs/dbraw/zinc/80/57/80/658805780.db2.gz DIMSYUIHOPPYAI-UHFFFAOYSA-N -2 3 396.778 2.771 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000844896991 661447156 /nfs/dbraw/zinc/44/71/56/661447156.db2.gz KOROAYMTNBURNT-YUSALJHKSA-N -2 3 394.276 2.928 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC[C@@H]2CC2(Cl)Cl)c(F)cc1F ZINC000844900815 661448354 /nfs/dbraw/zinc/44/83/54/661448354.db2.gz CNYONSZMAMRMKZ-SSDOTTSWSA-N -2 3 388.219 2.915 20 0 GFADHL Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)s1 ZINC000871913306 662741279 /nfs/dbraw/zinc/74/12/79/662741279.db2.gz NOQLLASCMZMRIY-UHFFFAOYSA-N -2 3 376.406 2.642 20 0 GFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000871979602 662748641 /nfs/dbraw/zinc/74/86/41/662748641.db2.gz QVYVCMMCDWZVAW-KWQFWETISA-N -2 3 387.401 2.533 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCSC3(CC(C(=O)[O-])C3)C2)cc1F ZINC000899948081 663703504 /nfs/dbraw/zinc/70/35/04/663703504.db2.gz FAKXOSJOJDIFGZ-CSJGVYOVSA-N -2 3 391.461 2.681 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@](C)(C(=O)[O-])C2)c1Cl ZINC000906011689 663908422 /nfs/dbraw/zinc/90/84/22/663908422.db2.gz ULIWLSAXWQPBOQ-LKFCYVNXSA-N -2 3 382.265 2.602 20 0 GFADHL CCO[C@H]1C[C@](NC(=O)c2cc([O-])cc(Br)c2)(C(=O)[O-])C1(C)C ZINC000909600156 664164560 /nfs/dbraw/zinc/16/45/60/664164560.db2.gz FAVSXZBXXFWBDE-LRDDRELGSA-N -2 3 386.242 2.543 20 0 GFADHL O=c1cc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)nc(C2CCC2)[n-]1 ZINC000918839389 664505554 /nfs/dbraw/zinc/50/55/54/664505554.db2.gz RSQVHTSJWFRMFZ-UHFFFAOYSA-N -2 3 389.811 2.860 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000126008980 551325543 /nfs/dbraw/zinc/32/55/43/551325543.db2.gz USSDLKUYFAXHQW-UHFFFAOYSA-N -2 3 385.239 2.779 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161830948 551599500 /nfs/dbraw/zinc/59/95/00/551599500.db2.gz JHHBEPPMLAXKGA-YPMHNXCESA-N -2 3 380.235 2.510 20 0 GFADHL COc1nc([N-]C(=O)c2coc(-c3ccc(Br)cc3F)n2)n[n-]1 ZINC000182988895 552297876 /nfs/dbraw/zinc/29/78/76/552297876.db2.gz KNWGNCUQYFJDKY-UHFFFAOYSA-N -2 3 382.149 2.622 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000185099695 552354320 /nfs/dbraw/zinc/35/43/20/552354320.db2.gz VERZLPKYGUHVDZ-GFCCVEGCSA-N -2 3 386.882 2.657 20 0 GFADHL CCC[C@](C)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236837032 553072427 /nfs/dbraw/zinc/07/24/27/553072427.db2.gz JSXNCFYJJHLZCW-INIZCTEOSA-N -2 3 381.226 2.664 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000424393299 563377767 /nfs/dbraw/zinc/37/77/67/563377767.db2.gz RGRBZVQMZKZOGE-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000282071772 563396288 /nfs/dbraw/zinc/39/62/88/563396288.db2.gz VLLXFQHEZBCDPH-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000318411468 563444131 /nfs/dbraw/zinc/44/41/31/563444131.db2.gz KZALCITYLNOKBZ-JTQLQIEISA-N -2 3 394.287 2.770 20 0 GFADHL CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000326260311 563454338 /nfs/dbraw/zinc/45/43/38/563454338.db2.gz HPNBBBWIBUQGPM-NWDGAFQWSA-N -2 3 393.914 2.999 20 0 GFADHL CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000326260310 563454605 /nfs/dbraw/zinc/45/46/05/563454605.db2.gz HPNBBBWIBUQGPM-NEPJUHHUSA-N -2 3 393.914 2.999 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)s1 ZINC000377972938 563492329 /nfs/dbraw/zinc/49/23/29/563492329.db2.gz NMJWVGZHKHWSMP-HIFRSBDPSA-N -2 3 381.475 2.574 20 0 GFADHL CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000428856570 563503531 /nfs/dbraw/zinc/50/35/31/563503531.db2.gz MFGIRIDXPFBMSO-UHFFFAOYSA-N -2 3 384.255 2.611 20 0 GFADHL CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000330588120 563512503 /nfs/dbraw/zinc/51/25/03/563512503.db2.gz MQGVJUNRIUIDHO-CHWSQXEVSA-N -2 3 392.518 2.690 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccsc2Br)c1 ZINC000388547555 563521225 /nfs/dbraw/zinc/52/12/25/563521225.db2.gz IYIVNDDRTLQPEL-UHFFFAOYSA-N -2 3 382.282 2.749 20 0 GFADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000287578504 563608882 /nfs/dbraw/zinc/60/88/82/563608882.db2.gz PPZCZLQTPPZQQT-UHFFFAOYSA-N -2 3 389.495 2.503 20 0 GFADHL CCCCS(=O)(=O)[N-]Cc1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000350789262 563676744 /nfs/dbraw/zinc/67/67/44/563676744.db2.gz ZMPMCGYLGZRFNW-UHFFFAOYSA-N -2 3 389.861 2.714 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@H](CCSc1ccccc1)C(=O)[O-] ZINC000290713689 563719084 /nfs/dbraw/zinc/71/90/84/563719084.db2.gz UEEXYAZWWLHSKR-GFCCVEGCSA-N -2 3 387.504 2.671 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c(Br)s1 ZINC000291952700 563765904 /nfs/dbraw/zinc/76/59/04/563765904.db2.gz QRTMUTMQASGYEN-UHFFFAOYSA-N -2 3 390.227 2.532 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000564653730 564243671 /nfs/dbraw/zinc/24/36/71/564243671.db2.gz PUZDCJMXDPIFMG-QMMMGPOBSA-N -2 3 387.845 2.758 20 0 GFADHL CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])no1 ZINC000451494192 564318966 /nfs/dbraw/zinc/31/89/66/564318966.db2.gz GIZIUJYKDBEEHG-UHFFFAOYSA-N -2 3 379.360 2.570 20 0 GFADHL Cn1cc(Cl)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)n1 ZINC000566317345 564322707 /nfs/dbraw/zinc/32/27/07/564322707.db2.gz KYSONNXDNMJOQZ-UHFFFAOYSA-N -2 3 391.902 2.609 20 0 GFADHL CCC[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)(C)C ZINC000451783392 564351563 /nfs/dbraw/zinc/35/15/63/564351563.db2.gz RZAQCZLZQMBPBY-AWEZNQCLSA-N -2 3 380.507 2.690 20 0 GFADHL CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476932812 564359174 /nfs/dbraw/zinc/35/91/74/564359174.db2.gz LSQOSGGGDSMILP-DOMZBBRYSA-N -2 3 392.518 2.834 20 0 GFADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000479384187 564438357 /nfs/dbraw/zinc/43/83/57/564438357.db2.gz ZGDMSCMLFUAFQB-UHFFFAOYSA-N -2 3 385.825 2.519 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1c(F)cccc1F ZINC000547610507 564502492 /nfs/dbraw/zinc/50/24/92/564502492.db2.gz UUFSKXDSTBQRKE-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000547921651 564522091 /nfs/dbraw/zinc/52/20/91/564522091.db2.gz HKBUOPFSBMPANV-IAHCOWJPSA-N -2 3 385.507 2.705 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccc(OC)cc2)s1 ZINC000548213125 564537758 /nfs/dbraw/zinc/53/77/58/564537758.db2.gz LULDHOJHNFZHCB-CYBMUJFWSA-N -2 3 384.479 2.599 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2c(F)c(OC)ccc2C(=O)[O-])c(Cl)c1 ZINC000571197486 564539788 /nfs/dbraw/zinc/53/97/88/564539788.db2.gz XUILNJMZGSSIEA-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000548290718 564547419 /nfs/dbraw/zinc/54/74/19/564547419.db2.gz CTYBVEBGZOIUAN-MRVPVSSYSA-N -2 3 382.251 2.756 20 0 GFADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)cn1C ZINC000571520055 564555295 /nfs/dbraw/zinc/55/52/95/564555295.db2.gz AFZKRGFDYDLWNQ-ZDUSSCGKSA-N -2 3 385.873 2.691 20 0 GFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000548541405 564557398 /nfs/dbraw/zinc/55/73/98/564557398.db2.gz BPGNPSPCYZRFEC-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccsc1 ZINC000548768556 564574084 /nfs/dbraw/zinc/57/40/84/564574084.db2.gz INONNRZNQKPNHH-VIFPVBQESA-N -2 3 380.369 2.656 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])CCCC1 ZINC000522045802 564642350 /nfs/dbraw/zinc/64/23/50/564642350.db2.gz FUKDENNOHVQECI-UHFFFAOYSA-N -2 3 389.857 2.822 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])c1Cl ZINC000551998534 564672247 /nfs/dbraw/zinc/67/22/47/564672247.db2.gz DJXQAJWSZOLZKZ-JTQLQIEISA-N -2 3 384.281 2.848 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000527052007 564727784 /nfs/dbraw/zinc/72/77/84/564727784.db2.gz WNZJONHZKJMXSQ-VXGBXAGGSA-N -2 3 393.889 2.533 20 0 GFADHL CCOc1ccc(-c2ccc(S(=O)(=O)[N-]CC(=O)[O-])s2)cc1OCC ZINC000579978826 564754374 /nfs/dbraw/zinc/75/43/74/564754374.db2.gz FZIBXKREVHZQHT-UHFFFAOYSA-N -2 3 385.463 2.575 20 0 GFADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-])C1CC1 ZINC000554430822 564760345 /nfs/dbraw/zinc/76/03/45/564760345.db2.gz SKPBAQLCGCRIIP-WRWORJQWSA-N -2 3 385.335 2.502 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C1CCC1 ZINC000554433790 564761251 /nfs/dbraw/zinc/76/12/51/564761251.db2.gz UQINRNIEFKTCIB-AWEZNQCLSA-N -2 3 399.266 2.529 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCC1 ZINC000554538273 564764655 /nfs/dbraw/zinc/76/46/55/564764655.db2.gz XLPGIOTYHUSCEP-UHFFFAOYSA-N -2 3 382.663 2.778 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000460835317 564781850 /nfs/dbraw/zinc/78/18/50/564781850.db2.gz JSPGNPDMNCEGCH-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000583865218 564910824 /nfs/dbraw/zinc/91/08/24/564910824.db2.gz CGUGETHUNOWAJR-PSASIEDQSA-N -2 3 383.800 2.721 20 0 GFADHL O=C([O-])[C@@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000559151738 564924891 /nfs/dbraw/zinc/92/48/91/564924891.db2.gz DQQXDZGVAFEZDD-ZFWWWQNUSA-N -2 3 393.864 2.542 20 0 GFADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2cc(F)ccc2Br)(C(=O)[O-])C1 ZINC000560418107 564960942 /nfs/dbraw/zinc/96/09/42/564960942.db2.gz CCKRXSHVYNXNJX-CQSZACIVSA-N -2 3 394.262 2.900 20 0 GFADHL COc1cccc(C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C(=O)[O-])c1 ZINC000560480915 564964536 /nfs/dbraw/zinc/96/45/36/564964536.db2.gz BIRLFQSGRSWPQD-LLVKDONJSA-N -2 3 389.882 2.632 20 0 GFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000560480282 564964545 /nfs/dbraw/zinc/96/45/45/564964545.db2.gz ZAVXXMFFAJERNI-JTQLQIEISA-N -2 3 385.463 2.610 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000535509661 565014705 /nfs/dbraw/zinc/01/47/05/565014705.db2.gz CDSWDGFCGBKOGF-CPCISQLKSA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])c1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)o1 ZINC000562877052 565046368 /nfs/dbraw/zinc/04/63/68/565046368.db2.gz JRJXSFVFDBBRME-UHFFFAOYSA-N -2 3 391.177 2.512 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000584823680 565100506 /nfs/dbraw/zinc/10/05/06/565100506.db2.gz NRCKHQCCTHNMAC-PSASIEDQSA-N -2 3 396.690 2.882 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c[n-]1 ZINC000589588738 565168273 /nfs/dbraw/zinc/16/82/73/565168273.db2.gz DGZDFTRYHLTQNH-UHFFFAOYSA-N -2 3 377.344 2.714 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)[n-]1 ZINC000589588738 565168276 /nfs/dbraw/zinc/16/82/76/565168276.db2.gz DGZDFTRYHLTQNH-UHFFFAOYSA-N -2 3 377.344 2.714 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)oc1C(=O)[O-] ZINC000663421427 565418879 /nfs/dbraw/zinc/41/88/79/565418879.db2.gz OWBCSRWHUQLZAA-VIFPVBQESA-N -2 3 375.349 2.927 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000650426527 565820612 /nfs/dbraw/zinc/82/06/12/565820612.db2.gz MNTWQMPDEDCPNP-ZETCQYMHSA-N -2 3 382.663 2.634 20 0 GFADHL Cc1cc(Br)sc1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1 ZINC000650230632 565808772 /nfs/dbraw/zinc/80/87/72/565808772.db2.gz NQQPWWOMBLUCOQ-UHFFFAOYSA-N -2 3 382.301 2.741 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)CC1CC1 ZINC000650430670 565821436 /nfs/dbraw/zinc/82/14/36/565821436.db2.gz TZYMADQTICJJIG-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000650431343 565821695 /nfs/dbraw/zinc/82/16/95/565821695.db2.gz PGNVXMFQIGATKT-SECBINFHSA-N -2 3 382.265 2.781 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c(F)c1 ZINC000678478917 566010713 /nfs/dbraw/zinc/01/07/13/566010713.db2.gz NZCZQXJVXOUBSR-UHFFFAOYSA-N -2 3 384.454 2.875 20 0 GFADHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000656165348 566108610 /nfs/dbraw/zinc/10/86/10/566108610.db2.gz RJVQAMYTDFSESN-LBPRGKRZSA-N -2 3 379.837 2.610 20 0 GFADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-])C1CC1 ZINC000656169823 566109423 /nfs/dbraw/zinc/10/94/23/566109423.db2.gz ROYLANWURWBEAZ-NWDGAFQWSA-N -2 3 382.265 2.540 20 0 GFADHL O=C([O-])[C@@H](CCc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccco1 ZINC000656521196 566134447 /nfs/dbraw/zinc/13/44/47/566134447.db2.gz ZMXTZDOMUXVFEZ-GFCCVEGCSA-N -2 3 377.340 2.663 20 0 GFADHL Cc1ccc2nc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3C)sc2c1 ZINC000737374220 599030124 /nfs/dbraw/zinc/03/01/24/599030124.db2.gz LYZCVZGETMLTNK-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL Cc1ccc2nc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3C)sc2c1 ZINC000737374220 599030126 /nfs/dbraw/zinc/03/01/26/599030126.db2.gz LYZCVZGETMLTNK-UHFFFAOYSA-N -2 3 386.462 2.894 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736447152 599218456 /nfs/dbraw/zinc/21/84/56/599218456.db2.gz RFXAUOHSOWEWPC-OAHLLOKOSA-N -2 3 393.513 2.809 20 0 GFADHL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736447152 599218457 /nfs/dbraw/zinc/21/84/57/599218457.db2.gz RFXAUOHSOWEWPC-OAHLLOKOSA-N -2 3 393.513 2.809 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000583542570 597492287 /nfs/dbraw/zinc/49/22/87/597492287.db2.gz RTEUBMQBJPTAOT-GOSISDBHSA-N -2 3 392.415 2.975 20 0 GFADHL CC(C)(C)Sc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735642838 598365710 /nfs/dbraw/zinc/36/57/10/598365710.db2.gz HXJQODQOGFVXTA-UHFFFAOYSA-N -2 3 390.494 2.953 20 0 GFADHL CC(C)(C)Sc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735642838 598365712 /nfs/dbraw/zinc/36/57/12/598365712.db2.gz HXJQODQOGFVXTA-UHFFFAOYSA-N -2 3 390.494 2.953 20 0 GFADHL O=S(=O)([N-]c1cccc(F)c1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000738341088 599561248 /nfs/dbraw/zinc/56/12/48/599561248.db2.gz FFDIXFHFXUYUFS-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL O=S(=O)([N-]c1cccc(F)c1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000738341088 599561250 /nfs/dbraw/zinc/56/12/50/599561250.db2.gz FFDIXFHFXUYUFS-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000580772376 599774398 /nfs/dbraw/zinc/77/43/98/599774398.db2.gz WKRHBJZVVNXAKL-UHFFFAOYSA-N -2 3 399.852 2.658 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738226155 599853327 /nfs/dbraw/zinc/85/33/27/599853327.db2.gz KXSHOFYGUWMESZ-UHFFFAOYSA-N -3 3 377.418 2.820 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1C(=O)NC(C)C ZINC000466293573 599908287 /nfs/dbraw/zinc/90/82/87/599908287.db2.gz OORHGUPLQSSFQP-UHFFFAOYSA-N -2 3 390.461 2.941 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000738278010 599908894 /nfs/dbraw/zinc/90/88/94/599908894.db2.gz VGKKFTWBFPFOQS-UHFFFAOYSA-N -2 3 375.381 2.819 20 0 GFADHL O=C([O-])c1cccn2cc(COC(=O)c3cccc(Br)c3[O-])nc12 ZINC000740298143 600109970 /nfs/dbraw/zinc/10/99/70/600109970.db2.gz XBXNETKZLBXDTJ-UHFFFAOYSA-N -2 3 391.177 2.858 20 0 GFADHL Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000738616143 600159647 /nfs/dbraw/zinc/15/96/47/600159647.db2.gz PKNZHONWERVHPE-OLZOCXBDSA-N -2 3 392.408 2.594 20 0 GFADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c(F)c1 ZINC000737699860 600234935 /nfs/dbraw/zinc/23/49/35/600234935.db2.gz MIKZIADOMVIABI-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000442223658 600244409 /nfs/dbraw/zinc/24/44/09/600244409.db2.gz NOCAYWBOKSJIKZ-QZTJIDSGSA-N -2 3 391.445 2.868 20 0 GFADHL Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)sc1C(=O)[O-] ZINC000738448831 600370189 /nfs/dbraw/zinc/37/01/89/600370189.db2.gz PLOAGWOWEHKQRJ-UHFFFAOYSA-N -2 3 398.437 2.587 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000466255837 600545748 /nfs/dbraw/zinc/54/57/48/600545748.db2.gz LXQGOXPUDUGNMU-INIZCTEOSA-N -2 3 377.418 2.662 20 0 GFADHL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000547557252 600688668 /nfs/dbraw/zinc/68/86/68/600688668.db2.gz LFVNCLCIWIKHIE-OAHLLOKOSA-N -2 3 398.362 2.559 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000788456237 600775877 /nfs/dbraw/zinc/77/58/77/600775877.db2.gz KVNRCLXDLUYZKE-SNVBAGLBSA-N -2 3 375.233 2.535 20 0 GFADHL Cc1nn(-c2ccc(C(=O)Nc3ncccc3[O-])cc2)c(C)c1CCC(=O)[O-] ZINC000833012444 601196427 /nfs/dbraw/zinc/19/64/27/601196427.db2.gz ARHQICJKHBPMKH-UHFFFAOYSA-N -2 3 380.404 2.859 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(Br)s2)cc1C(=O)[O-] ZINC000833027031 601216458 /nfs/dbraw/zinc/21/64/58/601216458.db2.gz NNXZKZRLUQHWCD-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C(C)(C)C)cc1C(=O)[O-] ZINC000833028979 601217842 /nfs/dbraw/zinc/21/78/42/601217842.db2.gz VAMQTJONFSWXFV-CYBMUJFWSA-N -2 3 381.454 2.594 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)c1F ZINC000833294503 601234337 /nfs/dbraw/zinc/23/43/37/601234337.db2.gz DUVQIWKFDZVCHZ-GUYCJALGSA-N -2 3 397.399 2.862 20 0 GFADHL COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000747617126 601334159 /nfs/dbraw/zinc/33/41/59/601334159.db2.gz RKSGTUOBFABZPL-UXBLZVDNSA-N -2 3 375.402 2.680 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000608343464 601334245 /nfs/dbraw/zinc/33/42/45/601334245.db2.gz CMRKRIYXWZXPOE-UHFFFAOYSA-N -2 3 379.434 2.828 20 0 GFADHL C/C(=C/COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000825758527 601415698 /nfs/dbraw/zinc/41/56/98/601415698.db2.gz KXOMKOOZQZVGRX-RMHQSFGDSA-N -2 3 383.400 2.828 20 0 GFADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000833294605 601863608 /nfs/dbraw/zinc/86/36/08/601863608.db2.gz MHHYPZKXKSWCQI-UHFFFAOYSA-N -2 3 396.465 2.878 20 0 GFADHL CSCc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826229164 607535592 /nfs/dbraw/zinc/53/55/92/607535592.db2.gz RWDKNOSNOSOXHK-UHFFFAOYSA-N -2 3 375.479 2.839 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c1-c1nnn[n-]1 ZINC000826303712 607536564 /nfs/dbraw/zinc/53/65/64/607536564.db2.gz BEXJFBNKVVUCHS-UHFFFAOYSA-N -2 3 387.469 2.678 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c1-c1nn[n-]n1 ZINC000826303712 607536566 /nfs/dbraw/zinc/53/65/66/607536566.db2.gz BEXJFBNKVVUCHS-UHFFFAOYSA-N -2 3 387.469 2.678 20 0 GFADHL C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000235617210 602146919 /nfs/dbraw/zinc/14/69/19/602146919.db2.gz NJEMAJXLHDVPKB-DTWKUNHWSA-N -2 3 380.260 2.845 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C(=O)[O-])oc1C ZINC000831343588 602218034 /nfs/dbraw/zinc/21/80/34/602218034.db2.gz OYBJRTNUNPDDNM-HNNXBMFYSA-N -2 3 395.433 2.505 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829971440 603838622 /nfs/dbraw/zinc/83/86/22/603838622.db2.gz MBVZEKKYIRATCW-LLVKDONJSA-N -3 3 378.406 2.823 20 0 GFADHL C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000825324463 604772517 /nfs/dbraw/zinc/77/25/17/604772517.db2.gz ASXYNLMSJNZICL-ACJLOTCBSA-N -2 3 386.404 2.682 20 0 GFADHL CC(C)c1nc(C2([N-]S(=O)(=O)Cc3ccccc3C(=O)[O-])CCCC2)no1 ZINC000829620608 605042765 /nfs/dbraw/zinc/04/27/65/605042765.db2.gz BSIQDXOCXJIUAB-UHFFFAOYSA-N -2 3 393.465 2.780 20 0 GFADHL CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833636900 605211749 /nfs/dbraw/zinc/21/17/49/605211749.db2.gz DPAZRORHHLWWBK-OAHLLOKOSA-N -2 3 388.829 2.552 20 0 GFADHL CC[C@](C)(NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833636953 605756323 /nfs/dbraw/zinc/75/63/23/605756323.db2.gz FULLVJKMLYIQSS-UTKZUKDTSA-N -2 3 384.432 2.623 20 0 GFADHL O=C([O-])C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Br)cc1 ZINC000833773313 605760612 /nfs/dbraw/zinc/76/06/12/605760612.db2.gz UFNRFDDBYSSYPG-CYBMUJFWSA-N -2 3 389.209 2.666 20 0 GFADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000822203393 606163629 /nfs/dbraw/zinc/16/36/29/606163629.db2.gz RGHHNRUNFCRUHE-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000822224047 606637101 /nfs/dbraw/zinc/63/71/01/606637101.db2.gz UFAMXPMUFFOVGU-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000822224047 606637102 /nfs/dbraw/zinc/63/71/02/606637102.db2.gz UFAMXPMUFFOVGU-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc3ccccc32)n1 ZINC000819972061 606708526 /nfs/dbraw/zinc/70/85/26/606708526.db2.gz ZJEWUXQAOAASEN-UHFFFAOYSA-N -2 3 397.464 2.772 20 0 GFADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821400967 607034593 /nfs/dbraw/zinc/03/45/93/607034593.db2.gz RBLNYLSFGUBUMC-UHFFFAOYSA-N -2 3 379.829 2.720 20 0 GFADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821400967 607034594 /nfs/dbraw/zinc/03/45/94/607034594.db2.gz RBLNYLSFGUBUMC-UHFFFAOYSA-N -2 3 379.829 2.720 20 0 GFADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccc(F)cc1Br ZINC000826492924 608108253 /nfs/dbraw/zinc/10/82/53/608108253.db2.gz LDPJFAJHJJOPEY-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1ccccc1NC1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493040 608235588 /nfs/dbraw/zinc/23/55/88/608235588.db2.gz PTIBJQWPXIAXAZ-UHFFFAOYSA-N -2 3 399.480 2.807 20 0 GFADHL O=S(=O)([N-]c1ccccc1NC1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826493040 608235590 /nfs/dbraw/zinc/23/55/90/608235590.db2.gz PTIBJQWPXIAXAZ-UHFFFAOYSA-N -2 3 399.480 2.807 20 0 GFADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825342977 608528069 /nfs/dbraw/zinc/52/80/69/608528069.db2.gz ZTOFLEULOXSAPK-UHFFFAOYSA-N -2 3 377.401 2.595 20 0 GFADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825342977 608528070 /nfs/dbraw/zinc/52/80/70/608528070.db2.gz ZTOFLEULOXSAPK-UHFFFAOYSA-N -2 3 377.401 2.595 20 0 GFADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cc(Cl)ccc1[O-] ZINC000826458187 609293189 /nfs/dbraw/zinc/29/31/89/609293189.db2.gz GYBQUSIOXGFSSA-UHFFFAOYSA-N -2 3 399.773 2.803 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824085536 609329974 /nfs/dbraw/zinc/32/99/74/609329974.db2.gz FUVRAETURKQSPF-LBPRGKRZSA-N -2 3 391.419 2.653 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc2ncccc21 ZINC000826492547 609339088 /nfs/dbraw/zinc/33/90/88/609339088.db2.gz QEMHOLDOHIHEFU-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c1F ZINC000826303960 609371804 /nfs/dbraw/zinc/37/18/04/609371804.db2.gz OKRYEHQHKPKGNH-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826317174 609470354 /nfs/dbraw/zinc/47/03/54/609470354.db2.gz QPBQWRNWVCDGOC-UHFFFAOYSA-N -2 3 387.469 2.678 20 0 GFADHL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826317174 609470356 /nfs/dbraw/zinc/47/03/56/609470356.db2.gz QPBQWRNWVCDGOC-UHFFFAOYSA-N -2 3 387.469 2.678 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000818430777 660225737 /nfs/dbraw/zinc/22/57/37/660225737.db2.gz NAAHAYQHRLCPNO-UHFFFAOYSA-N -2 3 399.694 2.667 20 0 GFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000821090160 660315255 /nfs/dbraw/zinc/31/52/55/660315255.db2.gz SVERUFUMIIIWNM-UHFFFAOYSA-N -2 3 377.205 2.681 20 0 GFADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826234449 660452001 /nfs/dbraw/zinc/45/20/01/660452001.db2.gz XGEKGBDQEROPPG-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2)o1 ZINC000833324648 660807221 /nfs/dbraw/zinc/80/72/21/660807221.db2.gz JDXXHKHSJFAAIW-LLVKDONJSA-N -2 3 384.841 2.579 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)c(Br)c1 ZINC000028197161 654571174 /nfs/dbraw/zinc/57/11/74/654571174.db2.gz VAKDLMITLDIBDB-UHFFFAOYSA-N -2 3 387.230 2.520 20 0 GFADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000060838664 654833310 /nfs/dbraw/zinc/83/33/10/654833310.db2.gz WUDQXEVMVHYVSG-UHFFFAOYSA-N -2 3 389.260 2.772 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1F ZINC000270612621 655050799 /nfs/dbraw/zinc/05/07/99/655050799.db2.gz GPJFZCIMYJWAOV-UHFFFAOYSA-N -2 3 393.487 2.543 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)c(F)cc1F ZINC000184880084 655360113 /nfs/dbraw/zinc/36/01/13/655360113.db2.gz QZEPSXSRZWEUDH-UHFFFAOYSA-N -2 3 384.385 2.751 20 0 GFADHL Cc1cccnc1C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187585037 655375591 /nfs/dbraw/zinc/37/55/91/655375591.db2.gz OTLAYTUJFBJKHC-UHFFFAOYSA-N -2 3 393.774 2.686 20 0 GFADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000578184033 655473519 /nfs/dbraw/zinc/47/35/19/655473519.db2.gz XLNIFCGBZQRTIU-UHFFFAOYSA-N -2 3 398.890 2.558 20 0 GFADHL O=C(COC(=O)c1cccc(Br)c1[O-])[N-]OCc1ccccc1 ZINC000730365611 655575080 /nfs/dbraw/zinc/57/50/80/655575080.db2.gz VTQDYQLQIIHSKP-UHFFFAOYSA-N -2 3 380.194 2.560 20 0 GFADHL Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000735026002 655638172 /nfs/dbraw/zinc/63/81/72/655638172.db2.gz CCDRTGWEEFPFHZ-DEOSSOPVSA-N -2 3 385.438 2.512 20 0 GFADHL CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CC1 ZINC000840895015 661202055 /nfs/dbraw/zinc/20/20/55/661202055.db2.gz GYBCIPOIORFDME-UHLUBPPHSA-N -2 3 382.265 2.783 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)s1 ZINC000840899319 661204255 /nfs/dbraw/zinc/20/42/55/661204255.db2.gz UTRKTBXUYFMQHU-HTRCEHHLSA-N -2 3 392.252 2.636 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CC=CCC2)s1 ZINC000761265243 656006528 /nfs/dbraw/zinc/00/65/28/656006528.db2.gz RVXQMAIRESRVNA-QMMMGPOBSA-N -2 3 380.285 2.843 20 0 GFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000776615487 656767698 /nfs/dbraw/zinc/76/76/98/656767698.db2.gz MCXDIDZOGGGZOO-ISVAXAHUSA-N -2 3 394.852 2.605 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(F)c(Cl)c1F ZINC000779837101 656948284 /nfs/dbraw/zinc/94/82/84/656948284.db2.gz LJSFRACHCFWRLX-UHFFFAOYSA-N -3 3 381.715 2.962 20 0 GFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788443554 657718519 /nfs/dbraw/zinc/71/85/19/657718519.db2.gz YGJUAPRMUOAWHG-APPZFPTMSA-N -2 3 397.902 2.664 20 0 GFADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000793386117 658392237 /nfs/dbraw/zinc/39/22/37/658392237.db2.gz SIPAUYRIMXUCAD-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)CC1CCCC1 ZINC000806637093 659838426 /nfs/dbraw/zinc/83/84/26/659838426.db2.gz XIBKILOYNJOMKI-NSHDSACASA-N -2 3 380.388 2.660 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846772144 661565649 /nfs/dbraw/zinc/56/56/49/661565649.db2.gz NZCMGRUOMKLOFJ-HRDYMLBCSA-N -2 3 381.281 2.802 20 0 GFADHL Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)n1 ZINC000871873243 662739048 /nfs/dbraw/zinc/73/90/48/662739048.db2.gz MSAHHQKAJROBRP-UHFFFAOYSA-N -2 3 376.406 2.642 20 0 GFADHL O=C([O-])C[C@H](NCc1c(F)ccc(C(F)(F)F)c1Br)C(=O)[O-] ZINC000904053372 663820645 /nfs/dbraw/zinc/82/06/45/663820645.db2.gz KBCCSDQDSSGPJU-QMMMGPOBSA-N -2 3 388.111 2.625 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(=O)[O-])c1Cl ZINC000906000205 663906738 /nfs/dbraw/zinc/90/67/38/663906738.db2.gz HRKHYJIJPFPLBI-KOLCDFICSA-N -2 3 382.265 2.602 20 0 GFADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000909158908 664147393 /nfs/dbraw/zinc/14/73/93/664147393.db2.gz HIZFHZLTCPFSHI-WDMOLILDSA-N -2 3 383.242 2.549 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000399478337 563533554 /nfs/dbraw/zinc/53/35/54/563533554.db2.gz WTZLVLLNJOQOKY-PELKAZGASA-N -2 3 382.251 2.612 20 0 GFADHL CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1F ZINC000137186423 551391118 /nfs/dbraw/zinc/39/11/18/551391118.db2.gz YUQAPFYKZDNWOL-UHFFFAOYSA-N -2 3 390.433 2.916 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000172897182 551689754 /nfs/dbraw/zinc/68/97/54/551689754.db2.gz JYFYDQIAFIOJNO-UHFFFAOYSA-N -2 3 386.470 2.923 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)c[nH]1 ZINC000194237509 553015587 /nfs/dbraw/zinc/01/55/87/553015587.db2.gz PWJZEYBGKGOECR-UHFFFAOYSA-N -2 3 385.239 2.765 20 0 GFADHL CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)n[n-]1 ZINC000194689459 553026992 /nfs/dbraw/zinc/02/69/92/553026992.db2.gz OTAPLEXOFIDACB-UHFFFAOYSA-N -2 3 378.237 2.835 20 0 GFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000229583585 553064316 /nfs/dbraw/zinc/06/43/16/553064316.db2.gz JHARZMQICCUSRB-UHFFFAOYSA-N -2 3 378.175 2.989 20 0 GFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000261876388 553161462 /nfs/dbraw/zinc/16/14/62/553161462.db2.gz ZTHHHGZXVWNTFC-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000281954972 563391797 /nfs/dbraw/zinc/39/17/97/563391797.db2.gz SLMFPOQIDZPHHJ-LURJTMIESA-N -2 3 390.177 2.609 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000312321629 563437096 /nfs/dbraw/zinc/43/70/96/563437096.db2.gz BYJDBUYCHMWZGM-NSHDSACASA-N -2 3 382.663 2.634 20 0 GFADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000421148020 563297602 /nfs/dbraw/zinc/29/76/02/563297602.db2.gz GKHNVARJLPPFLC-NSHDSACASA-N -2 3 394.287 2.950 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000318411469 563443800 /nfs/dbraw/zinc/44/38/00/563443800.db2.gz KZALCITYLNOKBZ-SNVBAGLBSA-N -2 3 394.287 2.770 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1 ZINC000326665074 563455152 /nfs/dbraw/zinc/45/51/52/563455152.db2.gz KIPSNLJAFLVWPK-UHFFFAOYSA-N -2 3 383.809 2.539 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000388771306 563521156 /nfs/dbraw/zinc/52/11/56/563521156.db2.gz GGYYKTAWOHPDKD-JSGCOSHPSA-N -2 3 394.262 2.900 20 0 GFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000400469600 563534205 /nfs/dbraw/zinc/53/42/05/563534205.db2.gz PTOGNLAIVFSKPC-GXSJLCMTSA-N -2 3 394.287 2.625 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)CC1CC1 ZINC000405244231 563538932 /nfs/dbraw/zinc/53/89/32/563538932.db2.gz YKPCNUAGDZJJQG-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000431149655 563555318 /nfs/dbraw/zinc/55/53/18/563555318.db2.gz CGSWTBSIXCVMRF-UHFFFAOYSA-N -2 3 378.472 2.676 20 0 GFADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000444244551 563825475 /nfs/dbraw/zinc/82/54/75/563825475.db2.gz IPCHMWMQWNZRHU-UHFFFAOYSA-N -2 3 377.447 2.890 20 0 GFADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000444244551 563825476 /nfs/dbraw/zinc/82/54/76/563825476.db2.gz IPCHMWMQWNZRHU-UHFFFAOYSA-N -2 3 377.447 2.890 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N(C)C)c1 ZINC000540497723 564249698 /nfs/dbraw/zinc/24/96/98/564249698.db2.gz CGNAMEPYTUGRJT-UHFFFAOYSA-N -2 3 384.841 2.557 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000564919620 564257338 /nfs/dbraw/zinc/25/73/38/564257338.db2.gz VLYKNKUKCHZAFS-DZGCQCFKSA-N -2 3 385.825 2.748 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474435489 564279012 /nfs/dbraw/zinc/27/90/12/564279012.db2.gz BDPITEXQPGNBGP-SSDOTTSWSA-N -2 3 378.834 2.552 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000541927803 564295494 /nfs/dbraw/zinc/29/54/94/564295494.db2.gz NKBVJYQUEPEFHW-UHFFFAOYSA-N -2 3 378.431 2.888 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C)c1csnn1 ZINC000566316802 564322541 /nfs/dbraw/zinc/32/25/41/564322541.db2.gz PWUWLVSHLOBLKG-ZETCQYMHSA-N -2 3 375.497 2.635 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](c1ncc(C)s1)C1CC1 ZINC000567498198 564374635 /nfs/dbraw/zinc/37/46/35/564374635.db2.gz JLXPTWYSEIAGSN-LLVKDONJSA-N -2 3 388.492 2.649 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cccnc2OC2CCCC2)c1 ZINC000546265828 564452498 /nfs/dbraw/zinc/45/24/98/564452498.db2.gz PCUNZRRJIPKGLN-UHFFFAOYSA-N -2 3 382.463 2.641 20 0 GFADHL CCc1ccc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C(=O)[O-])cc1 ZINC000547550352 564493480 /nfs/dbraw/zinc/49/34/80/564493480.db2.gz QGNSILXCUJLQOE-INIZCTEOSA-N -2 3 378.837 2.878 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000547576792 564496686 /nfs/dbraw/zinc/49/66/86/564496686.db2.gz VNAHQOOGWWIOOA-DGCLKSJQSA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])[C@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000547614788 564503269 /nfs/dbraw/zinc/50/32/69/564503269.db2.gz YKTZDGYRBKCGPO-AWEZNQCLSA-N -2 3 393.770 2.732 20 0 GFADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000547872217 564514333 /nfs/dbraw/zinc/51/43/33/564514333.db2.gz VNRIYNPXOHAKMT-UHFFFAOYSA-N -2 3 395.289 2.598 20 0 GFADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547898397 564518526 /nfs/dbraw/zinc/51/85/26/564518526.db2.gz NSQCRYQKAHSZFL-CYBMUJFWSA-N -2 3 375.780 2.592 20 0 GFADHL CCCSC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000547910981 564519790 /nfs/dbraw/zinc/51/97/90/564519790.db2.gz ZZCDHWJNEBAQGI-LBPRGKRZSA-N -2 3 386.520 2.685 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000547937227 564523328 /nfs/dbraw/zinc/52/33/28/564523328.db2.gz YPVQXGLWMWVOGB-LLVKDONJSA-N -2 3 381.878 2.910 20 0 GFADHL CC1([C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C(=O)[O-])CCCCC1 ZINC000548030199 564528018 /nfs/dbraw/zinc/52/80/18/564528018.db2.gz ZZUJYYIUFKHNAH-LBPRGKRZSA-N -2 3 380.388 2.802 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)s1 ZINC000548196545 564534996 /nfs/dbraw/zinc/53/49/96/564534996.db2.gz OFSQHXHIFBDACC-VIFPVBQESA-N -2 3 396.309 2.985 20 0 GFADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548241179 564541361 /nfs/dbraw/zinc/54/13/61/564541361.db2.gz KFSJKOOEOISKMA-CYBMUJFWSA-N -2 3 393.770 2.732 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)c(F)c1 ZINC000548240939 564541372 /nfs/dbraw/zinc/54/13/72/564541372.db2.gz POGZXVHTVJINPN-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000548260632 564544358 /nfs/dbraw/zinc/54/43/58/564544358.db2.gz KYTBNHFMIMXLAL-SECBINFHSA-N -2 3 384.679 2.738 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000548263533 564545237 /nfs/dbraw/zinc/54/52/37/564545237.db2.gz BQDCKQLUQROMJF-SECBINFHSA-N -2 3 384.317 2.987 20 0 GFADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000571356990 564547672 /nfs/dbraw/zinc/54/76/72/564547672.db2.gz VPYWKBCBUFKUKS-UHFFFAOYSA-N -2 3 395.289 2.598 20 0 GFADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)(C(=O)[O-])C1(C)C ZINC000548357564 564550260 /nfs/dbraw/zinc/55/02/60/564550260.db2.gz VVHAMIZNCUZKSQ-DOMZBBRYSA-N -2 3 396.292 2.930 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])s1 ZINC000548537940 564556797 /nfs/dbraw/zinc/55/67/97/564556797.db2.gz ARXCREVZUTWUIB-GFCCVEGCSA-N -2 3 388.898 2.635 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])c(Cl)c1Cl ZINC000548540881 564557318 /nfs/dbraw/zinc/55/73/18/564557318.db2.gz DOXZJOUHIGPTTA-QMTHXVAHSA-N -2 3 382.265 2.924 20 0 GFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548590619 564564710 /nfs/dbraw/zinc/56/47/10/564564710.db2.gz QWXFKZJPLJAKHV-LLVKDONJSA-N -2 3 382.251 2.756 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000571755747 564565569 /nfs/dbraw/zinc/56/55/69/564565569.db2.gz NCUIDTPNTNJATH-UFBFGSQYSA-N -2 3 382.251 2.612 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(F)c1 ZINC000484538306 564590016 /nfs/dbraw/zinc/59/00/16/564590016.db2.gz JXXVOLZXKCZTET-UHFFFAOYSA-N -2 3 387.772 2.749 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCCCc1nc(C)cs1 ZINC000573363555 564634792 /nfs/dbraw/zinc/63/47/92/564634792.db2.gz USNBOTMQQGQKCJ-UHFFFAOYSA-N -2 3 390.508 2.521 20 0 GFADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-])C1CC1 ZINC000551244594 564644058 /nfs/dbraw/zinc/64/40/58/564644058.db2.gz HZOFEWSSVGJXNZ-JMCQJSRRSA-N -2 3 396.690 2.880 20 0 GFADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1 ZINC000486762353 564665783 /nfs/dbraw/zinc/66/57/83/564665783.db2.gz YIGFCRBXKFAWOZ-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1 ZINC000486762353 564665785 /nfs/dbraw/zinc/66/57/85/564665785.db2.gz YIGFCRBXKFAWOZ-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1C(=O)[O-] ZINC000523729166 564672139 /nfs/dbraw/zinc/67/21/39/564672139.db2.gz GPXNMDIBFOGXDG-DEOSSOPVSA-N -2 3 381.475 2.681 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-] ZINC000551998247 564672352 /nfs/dbraw/zinc/67/23/52/564672352.db2.gz YNOZXKFTZCFTKE-LBPRGKRZSA-N -2 3 389.857 2.941 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000527052103 564728434 /nfs/dbraw/zinc/72/84/34/564728434.db2.gz IDKRKTOYAGTOCY-JTQLQIEISA-N -2 3 380.369 2.575 20 0 GFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000577984808 564739183 /nfs/dbraw/zinc/73/91/83/564739183.db2.gz YNOKUIPMAWMSDA-MRVPVSSYSA-N -2 3 398.250 2.519 20 0 GFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)s1 ZINC000580308601 564755437 /nfs/dbraw/zinc/75/54/37/564755437.db2.gz NXOGCEMBMJSXLG-VIFPVBQESA-N -2 3 387.454 2.812 20 0 GFADHL CN(C)c1nc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])cc(=O)[n-]1 ZINC000555248745 564787473 /nfs/dbraw/zinc/78/74/73/564787473.db2.gz VOZMLPSLPCZTPF-UHFFFAOYSA-N -2 3 387.621 2.622 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)s1 ZINC000461335956 564793473 /nfs/dbraw/zinc/79/34/73/564793473.db2.gz VKXABJHGXVDQDS-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)s1 ZINC000461335956 564793478 /nfs/dbraw/zinc/79/34/78/564793478.db2.gz VKXABJHGXVDQDS-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000494617522 564835245 /nfs/dbraw/zinc/83/52/45/564835245.db2.gz OKUPAPLBQAVBAR-UHFFFAOYSA-N -2 3 390.483 2.720 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)[C@H](C)C(=O)[O-] ZINC000582471056 564848509 /nfs/dbraw/zinc/84/85/09/564848509.db2.gz OWGJBAVJEXPLHJ-WDEREUQCSA-N -2 3 375.874 2.906 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1 ZINC000559152951 564924933 /nfs/dbraw/zinc/92/49/33/564924933.db2.gz HKMNWVMPLKOSQG-ZDUSSCGKSA-N -2 3 390.244 2.804 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Oc1ccccc1 ZINC000559151457 564925042 /nfs/dbraw/zinc/92/50/42/564925042.db2.gz JMAZYPDCLHHJJW-ZDUSSCGKSA-N -2 3 390.244 2.804 20 0 GFADHL CSc1nc([N-]C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)n[n-]1 ZINC000467815555 564973566 /nfs/dbraw/zinc/97/35/66/564973566.db2.gz NPLIYSLWBSQCPR-UHFFFAOYSA-N -2 3 380.476 2.673 20 0 GFADHL CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000562649441 565037715 /nfs/dbraw/zinc/03/77/15/565037715.db2.gz SYYNQXLDZWZEPY-KRWDZBQOSA-N -2 3 395.253 2.910 20 0 GFADHL CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000563070836 565054842 /nfs/dbraw/zinc/05/48/42/565054842.db2.gz LQLSDSYCQDSNBL-NSHDSACASA-N -2 3 379.862 2.530 20 0 GFADHL CCOC(=O)C(=C([O-])CSc1nc(C)c(C)c(=O)[n-]1)c1nc(C)cs1 ZINC000537414628 565058166 /nfs/dbraw/zinc/05/81/66/565058166.db2.gz PSTVJHJJABJXBY-GFCCVEGCSA-N -2 3 381.479 2.572 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c(Cl)c1Cl ZINC000685209853 565099767 /nfs/dbraw/zinc/09/97/67/565099767.db2.gz SKZJKTULEANBSG-LURJTMIESA-N -2 3 392.207 2.636 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CCC1 ZINC000663257049 565403710 /nfs/dbraw/zinc/40/37/10/565403710.db2.gz SRPCDHSJHGTWKP-JTQLQIEISA-N -2 3 383.800 2.721 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CSc3ccccc3O2)oc1C(=O)[O-] ZINC000663427186 565420496 /nfs/dbraw/zinc/42/04/96/565420496.db2.gz RXCQZIILECZTJU-LLVKDONJSA-N -2 3 383.447 2.508 20 0 GFADHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2ncccc2C(F)(F)F)sc1C(=O)[O-] ZINC000646037127 565583823 /nfs/dbraw/zinc/58/38/23/565583823.db2.gz CPAQVKQNMSVUDS-ZETCQYMHSA-N -2 3 395.384 2.603 20 0 GFADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000646046418 565584662 /nfs/dbraw/zinc/58/46/62/565584662.db2.gz ZVVDSKOBTIKSKF-CQSZACIVSA-N -2 3 393.248 2.877 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])c(Cl)cc1C)C1CCOCC1 ZINC000647133697 565640388 /nfs/dbraw/zinc/64/03/88/565640388.db2.gz SCLJNNAKNWAVAE-OAHLLOKOSA-N -2 3 391.873 2.530 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000650425353 565819989 /nfs/dbraw/zinc/81/99/89/565819989.db2.gz DHBWOMTWEWJQED-SSDOTTSWSA-N -2 3 382.663 2.634 20 0 GFADHL CCO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br)C1CC1 ZINC000629294251 565837210 /nfs/dbraw/zinc/83/72/10/565837210.db2.gz VWUOVJBVEHRVPX-CYBMUJFWSA-N -2 3 392.271 2.704 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C ZINC000629295202 565837771 /nfs/dbraw/zinc/83/77/71/565837771.db2.gz MPUOBAQIIGNJCD-SECBINFHSA-N -2 3 382.251 2.532 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653492985 565969425 /nfs/dbraw/zinc/96/94/25/565969425.db2.gz GFTOQSIVMJFIOF-KXUCPTDWSA-N -2 3 380.388 2.514 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@@H](CC)C(=O)[O-] ZINC000654788003 566023136 /nfs/dbraw/zinc/02/31/36/566023136.db2.gz ZOIONTOCBJBDIH-SNVBAGLBSA-N -2 3 394.287 2.627 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)c(F)cc1F ZINC000681567196 566113440 /nfs/dbraw/zinc/11/34/40/566113440.db2.gz KMIMOHBTPLXWBR-CQSZACIVSA-N -2 3 377.315 2.656 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)CC(=O)[O-] ZINC000681577975 566114977 /nfs/dbraw/zinc/11/49/77/566114977.db2.gz ZZMKZYSZVIGEED-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL CCCN(CCC)S(=O)(=O)[N-]c1cc(I)ccc1[O-] ZINC000611290971 566125133 /nfs/dbraw/zinc/12/51/33/566125133.db2.gz BPQNRHZUHPNOGL-UHFFFAOYSA-N -2 3 398.266 2.776 20 0 GFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC000656511081 566130432 /nfs/dbraw/zinc/13/04/32/566130432.db2.gz NZESEOKWHMPUNA-LLVKDONJSA-N -2 3 384.679 2.738 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC000656518610 566133108 /nfs/dbraw/zinc/13/31/08/566133108.db2.gz UKSIKYJPEQHYOR-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL COc1cc(CN[C@H](CC(=O)[O-])c2ccncc2)cc(Br)c1[O-] ZINC000656567523 566142328 /nfs/dbraw/zinc/14/23/28/566142328.db2.gz RYOCQEQMJSKOJK-CYBMUJFWSA-N -2 3 381.226 2.864 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735912431 598842807 /nfs/dbraw/zinc/84/28/07/598842807.db2.gz CLZGMTLYGVGXMA-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735912431 598842809 /nfs/dbraw/zinc/84/28/09/598842809.db2.gz CLZGMTLYGVGXMA-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1[O-] ZINC000738167822 598965687 /nfs/dbraw/zinc/96/56/87/598965687.db2.gz VXIJFDVGOQMTLH-UHFFFAOYSA-N -2 3 378.161 2.726 20 0 GFADHL O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1[O-] ZINC000738167822 598965688 /nfs/dbraw/zinc/96/56/88/598965688.db2.gz VXIJFDVGOQMTLH-UHFFFAOYSA-N -2 3 378.161 2.726 20 0 GFADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822212035 607256174 /nfs/dbraw/zinc/25/61/74/607256174.db2.gz ZPJBFPVBJBVHLU-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL C[C@H](SCC(=O)NCC(=O)[O-])c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000820194078 597753504 /nfs/dbraw/zinc/75/35/04/597753504.db2.gz DFTXMBAYVUOLEB-QMMMGPOBSA-N -2 3 393.446 2.652 20 0 GFADHL CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(Br)c1[O-] ZINC000736818387 598383948 /nfs/dbraw/zinc/38/39/48/598383948.db2.gz ONMITOXMIJZWIK-UHFFFAOYSA-N -2 3 388.225 2.607 20 0 GFADHL O=S(=O)([N-]c1ncc(Cc2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000738340560 598513931 /nfs/dbraw/zinc/51/39/31/598513931.db2.gz ZANSSNCFMSROSE-UHFFFAOYSA-N -2 3 398.473 2.715 20 0 GFADHL O=S(=O)([N-]c1ncc(Cc2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000738340560 598513933 /nfs/dbraw/zinc/51/39/33/598513933.db2.gz ZANSSNCFMSROSE-UHFFFAOYSA-N -2 3 398.473 2.715 20 0 GFADHL CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735619073 598801098 /nfs/dbraw/zinc/80/10/98/598801098.db2.gz SOWIMGXEVYARFR-UHFFFAOYSA-N -2 3 399.476 2.639 20 0 GFADHL CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735619073 598801099 /nfs/dbraw/zinc/80/10/99/598801099.db2.gz SOWIMGXEVYARFR-UHFFFAOYSA-N -2 3 399.476 2.639 20 0 GFADHL O=S(=O)([N-]c1ccsc1)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000823588724 599305242 /nfs/dbraw/zinc/30/52/42/599305242.db2.gz AGHNANRTFWIGCD-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL O=S(=O)([N-]c1ccsc1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000823588724 599305245 /nfs/dbraw/zinc/30/52/45/599305245.db2.gz AGHNANRTFWIGCD-UHFFFAOYSA-N -2 3 375.357 2.748 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000736486968 599313306 /nfs/dbraw/zinc/31/33/06/599313306.db2.gz AHBIJQVJVHMQBY-UHFFFAOYSA-N -2 3 376.417 2.629 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000822266751 607377159 /nfs/dbraw/zinc/37/71/59/607377159.db2.gz GZLLILZTWDBFJG-UHFFFAOYSA-N -2 3 379.467 2.825 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000822266751 607377160 /nfs/dbraw/zinc/37/71/60/607377160.db2.gz GZLLILZTWDBFJG-UHFFFAOYSA-N -2 3 379.467 2.825 20 0 GFADHL C[C@](NC(=O)c1ccc(O)cc1[O-])(C(=O)[O-])c1cccc(Br)c1 ZINC000736657932 599835523 /nfs/dbraw/zinc/83/55/23/599835523.db2.gz VSROKDGWOWCNBU-MRXNPFEDSA-N -2 3 380.194 2.590 20 0 GFADHL COc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)c([O-])c1 ZINC000737922000 599836877 /nfs/dbraw/zinc/83/68/77/599836877.db2.gz FJKFOLGXSNOSNK-KRWDZBQOSA-N -2 3 394.221 2.893 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)ccc1OCC(=O)[O-] ZINC000500314378 600482462 /nfs/dbraw/zinc/48/24/62/600482462.db2.gz JKJBRKFLEPDQRH-UHFFFAOYSA-N -3 3 399.808 2.611 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1C(=O)[O-] ZINC000042792222 600542416 /nfs/dbraw/zinc/54/24/16/600542416.db2.gz NEOYGXAEJOXKLO-UHFFFAOYSA-N -2 3 379.390 2.702 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)ccc1C ZINC000504523375 600635146 /nfs/dbraw/zinc/63/51/46/600635146.db2.gz BBTINYAWBJIONB-UHFFFAOYSA-N -2 3 392.433 2.608 20 0 GFADHL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C1CC1 ZINC000265426164 600636154 /nfs/dbraw/zinc/63/61/54/600636154.db2.gz DASMUAVRTACPMR-UHFFFAOYSA-N -2 3 388.445 2.697 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)CCCCCC2)no1 ZINC000563075369 600647805 /nfs/dbraw/zinc/64/78/05/600647805.db2.gz DAUKXWRBXBZPNM-UHFFFAOYSA-N -2 3 393.465 2.533 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cc1C(=O)[O-] ZINC000392289075 600658887 /nfs/dbraw/zinc/65/88/87/600658887.db2.gz IBCNAXOORVITKY-UHFFFAOYSA-N -2 3 384.841 2.914 20 0 GFADHL COC(=O)Nc1ccc(C(=O)OCCOc2cccc(C(=O)[O-])c2)cc1[O-] ZINC000831210492 600733295 /nfs/dbraw/zinc/73/32/95/600733295.db2.gz QVHOUDXNZZNFJO-UHFFFAOYSA-N -2 3 375.333 2.505 20 0 GFADHL COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000057125500 600812164 /nfs/dbraw/zinc/81/21/64/600812164.db2.gz XRUHFDZLHNHQLX-UHFFFAOYSA-N -2 3 378.406 2.697 20 0 GFADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000736124572 601046723 /nfs/dbraw/zinc/04/67/23/601046723.db2.gz ZYRSDDLSZBVOOI-UHFFFAOYSA-N -2 3 377.422 2.584 20 0 GFADHL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000547878936 601131657 /nfs/dbraw/zinc/13/16/57/601131657.db2.gz ADHQULRVOMAEGS-OAHLLOKOSA-N -2 3 396.827 2.935 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000571998252 601215768 /nfs/dbraw/zinc/21/57/68/601215768.db2.gz QHKUNLLHLMYTIH-UHFFFAOYSA-N -2 3 393.339 2.706 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C(C)(C)C)cc1C(=O)[O-] ZINC000833028980 601217976 /nfs/dbraw/zinc/21/79/76/601217976.db2.gz VAMQTJONFSWXFV-ZDUSSCGKSA-N -2 3 381.454 2.594 20 0 GFADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000830232294 601250699 /nfs/dbraw/zinc/25/06/99/601250699.db2.gz MEYKJXGYNLFLTN-UHFFFAOYSA-N -3 3 393.417 2.602 20 0 GFADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000026238940 601320067 /nfs/dbraw/zinc/32/00/67/601320067.db2.gz TYUZHNWKRKGEJG-UHFFFAOYSA-N -2 3 381.381 2.728 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1 ZINC000032631099 601322596 /nfs/dbraw/zinc/32/25/96/601322596.db2.gz IESNKLKPPFZGEH-UHFFFAOYSA-N -2 3 379.434 2.828 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)c1C ZINC000606828460 601332596 /nfs/dbraw/zinc/33/25/96/601332596.db2.gz UZTPUFCHFCAZLE-KRWDZBQOSA-N -2 3 391.445 2.970 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)c1C ZINC000832866865 601362764 /nfs/dbraw/zinc/36/27/64/601362764.db2.gz XVCKEYWGEAGRPK-UHFFFAOYSA-N -2 3 376.434 2.631 20 0 GFADHL CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000826699174 601437839 /nfs/dbraw/zinc/43/78/39/601437839.db2.gz FDQCTSKMKFWXBG-HNNXBMFYSA-N -2 3 397.859 2.515 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000032631036 601827069 /nfs/dbraw/zinc/82/70/69/601827069.db2.gz BZXKXKPAHPQFJD-UHFFFAOYSA-N -2 3 385.825 2.864 20 0 GFADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(CNC(=O)[O-])cc3)ccc2O1 ZINC000828081885 601830667 /nfs/dbraw/zinc/83/06/67/601830667.db2.gz DURVKENLGKMYGH-UHFFFAOYSA-N -2 3 376.434 2.969 20 0 GFADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000776552173 601962940 /nfs/dbraw/zinc/96/29/40/601962940.db2.gz OOPRWARGXDIAEB-UHFFFAOYSA-N -2 3 379.276 2.548 20 0 GFADHL Cc1coc(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)c2)n1 ZINC000826320601 607538268 /nfs/dbraw/zinc/53/82/68/607538268.db2.gz XCZBCEHVFPDRJZ-UHFFFAOYSA-N -2 3 396.432 2.939 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(Cl)n1 ZINC000769636966 602106280 /nfs/dbraw/zinc/10/62/80/602106280.db2.gz AMHKOVDODSKRJU-UHFFFAOYSA-N -2 3 378.740 2.521 20 0 GFADHL Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])nnn1C1CCN(C(=O)[O-])CC1 ZINC000740037388 602126166 /nfs/dbraw/zinc/12/61/66/602126166.db2.gz HCNIEBJKIMEGEV-UHFFFAOYSA-N -2 3 379.804 2.513 20 0 GFADHL COCCC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCC1 ZINC000831684924 602165717 /nfs/dbraw/zinc/16/57/17/602165717.db2.gz WDHMLEXWWMFBMC-UHFFFAOYSA-N -2 3 377.409 2.538 20 0 GFADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833014723 602216933 /nfs/dbraw/zinc/21/69/33/602216933.db2.gz WDGOYWCQTIVUES-CYBMUJFWSA-N -2 3 385.873 2.512 20 0 GFADHL CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000826102689 602235588 /nfs/dbraw/zinc/23/55/88/602235588.db2.gz FTBBDJHEJGCXNT-OAHLLOKOSA-N -2 3 381.388 2.544 20 0 GFADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc2O1 ZINC000468956277 602308792 /nfs/dbraw/zinc/30/87/92/602308792.db2.gz MSMMMTQVEMDSDK-UHFFFAOYSA-N -2 3 377.418 2.664 20 0 GFADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740276705 602514695 /nfs/dbraw/zinc/51/46/95/602514695.db2.gz VENWHUJMSLZMTR-UHFFFAOYSA-N -2 3 381.392 2.571 20 0 GFADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1 ZINC000823538780 603240978 /nfs/dbraw/zinc/24/09/78/603240978.db2.gz QZGGOULUVVBHKB-UHFFFAOYSA-N -2 3 381.385 2.699 20 0 GFADHL Cn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)nc1Cl ZINC000776537506 604407477 /nfs/dbraw/zinc/40/74/77/604407477.db2.gz FQDPENOBXLMHTQ-ZDUSSCGKSA-N -2 3 399.900 2.865 20 0 GFADHL Cc1cccc(O[C@H]2CCCC[C@H]2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000832972202 604511005 /nfs/dbraw/zinc/51/10/05/604511005.db2.gz QICBPHQCXAZNBI-CABCVRRESA-N -2 3 379.434 2.955 20 0 GFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1C(=O)[O-] ZINC000833749188 605125591 /nfs/dbraw/zinc/12/55/91/605125591.db2.gz COORUKHPZUPZQH-UHFFFAOYSA-N -3 3 393.392 2.749 20 0 GFADHL CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833689474 605182716 /nfs/dbraw/zinc/18/27/16/605182716.db2.gz CMSZWZFZGVFEOQ-UHFFFAOYSA-N -2 3 385.445 2.795 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000540501948 605238961 /nfs/dbraw/zinc/23/89/61/605238961.db2.gz ZFSDRJLFIPVOST-UHFFFAOYSA-N -3 3 381.406 2.687 20 0 GFADHL CC(C)(C(=O)[N-]OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC000819891846 606176812 /nfs/dbraw/zinc/17/68/12/606176812.db2.gz IGQFCENHQBZSLP-UHFFFAOYSA-N -2 3 376.420 2.645 20 0 GFADHL CC(C)(C(=O)[N-]OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000819891846 606176813 /nfs/dbraw/zinc/17/68/13/606176813.db2.gz IGQFCENHQBZSLP-UHFFFAOYSA-N -2 3 376.420 2.645 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cc2cc(Cl)ccc2s1 ZINC000823583545 606359007 /nfs/dbraw/zinc/35/90/07/606359007.db2.gz SYTRPWUXNJSYMM-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cc2cc(Cl)ccc2s1 ZINC000823583545 606359009 /nfs/dbraw/zinc/35/90/09/606359009.db2.gz SYTRPWUXNJSYMM-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000820897683 606468327 /nfs/dbraw/zinc/46/83/27/606468327.db2.gz LMMGMDXVJUOBGI-UHFFFAOYSA-N -2 3 393.498 2.731 20 0 GFADHL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000820897683 606468328 /nfs/dbraw/zinc/46/83/28/606468328.db2.gz LMMGMDXVJUOBGI-UHFFFAOYSA-N -2 3 393.498 2.731 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cnc1Cl ZINC000822209661 606638027 /nfs/dbraw/zinc/63/80/27/606638027.db2.gz QXVSBRKXZJDSGI-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cnc1Cl ZINC000822209661 606638028 /nfs/dbraw/zinc/63/80/28/606638028.db2.gz QXVSBRKXZJDSGI-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820882286 606759175 /nfs/dbraw/zinc/75/91/75/606759175.db2.gz OHVVATZWTMGFKV-UHFFFAOYSA-N -2 3 385.877 2.541 20 0 GFADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820882286 606759177 /nfs/dbraw/zinc/75/91/77/606759177.db2.gz OHVVATZWTMGFKV-UHFFFAOYSA-N -2 3 385.877 2.541 20 0 GFADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826451496 608087250 /nfs/dbraw/zinc/08/72/50/608087250.db2.gz JFYPLGWYSQCOAJ-UHFFFAOYSA-N -2 3 383.593 2.569 20 0 GFADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826451496 608087251 /nfs/dbraw/zinc/08/72/51/608087251.db2.gz JFYPLGWYSQCOAJ-UHFFFAOYSA-N -2 3 383.593 2.569 20 0 GFADHL Cc1nn(-c2ccccc2)c(COC(=O)c2ccc([O-])cc2F)c1-c1nnn[n-]1 ZINC000826333105 608322211 /nfs/dbraw/zinc/32/22/11/608322211.db2.gz UIYKNFJKZSWYRR-UHFFFAOYSA-N -2 3 394.366 2.563 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000826278552 609311289 /nfs/dbraw/zinc/31/12/89/609311289.db2.gz IWDSXPOALXCGDY-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1F ZINC000826303948 609371218 /nfs/dbraw/zinc/37/12/18/609371218.db2.gz NXQAROOABMEEQR-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1F ZINC000826303948 609371219 /nfs/dbraw/zinc/37/12/19/609371219.db2.gz NXQAROOABMEEQR-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000826256011 609423320 /nfs/dbraw/zinc/42/33/20/609423320.db2.gz RNNIEGLNZFHYIA-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Br)cc(F)c2[O-])n1 ZINC000824154830 660386228 /nfs/dbraw/zinc/38/62/28/660386228.db2.gz SQKWJKSDOOLFOZ-UHFFFAOYSA-N -2 3 384.205 2.763 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000032595890 654605992 /nfs/dbraw/zinc/60/59/92/654605992.db2.gz SEHGSYKMELEZEC-UHFFFAOYSA-N -2 3 378.834 2.651 20 0 GFADHL O=C(CCC1CCCCC1)[N-][N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058061712 654814635 /nfs/dbraw/zinc/81/46/35/654814635.db2.gz LXFAUWKBCNWWRK-UHFFFAOYSA-N -2 3 389.861 2.918 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c(Cl)cc1Cl ZINC000274950663 655208397 /nfs/dbraw/zinc/20/83/97/655208397.db2.gz HZENESXZFREJPE-QMMMGPOBSA-N -2 3 398.264 2.702 20 0 GFADHL N#Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CCCc2ccccc2)c(Cl)c1 ZINC000183047549 655348790 /nfs/dbraw/zinc/34/87/90/655348790.db2.gz MDLWNDSLGGNWLJ-UHFFFAOYSA-N -2 3 377.853 2.544 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2(F)CCC2)c(Br)s1 ZINC000702530037 655521668 /nfs/dbraw/zinc/52/16/68/655521668.db2.gz BAGQSYTVRYDLSL-UHFFFAOYSA-N -2 3 386.264 2.769 20 0 GFADHL CSCCc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000737180547 655669456 /nfs/dbraw/zinc/66/94/56/655669456.db2.gz CJCAAOMDMDLCDH-UHFFFAOYSA-N -2 3 375.479 2.573 20 0 GFADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1 ZINC000747617595 655780681 /nfs/dbraw/zinc/78/06/81/655780681.db2.gz RMAFTRSPXLSPBX-UHFFFAOYSA-N -2 3 377.253 2.714 20 0 GFADHL CSCC1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000840890781 661199497 /nfs/dbraw/zinc/19/94/97/661199497.db2.gz RHLJBFIUQGZJRY-UHFFFAOYSA-N -2 3 379.450 2.863 20 0 GFADHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)[C@H](C)O1 ZINC000840899091 661204140 /nfs/dbraw/zinc/20/41/40/661204140.db2.gz NOOICBGTYIUDMV-KHQFGBGNSA-N -2 3 382.265 2.783 20 0 GFADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000764914612 656122955 /nfs/dbraw/zinc/12/29/55/656122955.db2.gz GLAKKOYYCDGDNL-JTQLQIEISA-N -2 3 398.250 2.519 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3nc(Cl)cnc3c2)c(F)c1 ZINC000776458340 656743728 /nfs/dbraw/zinc/74/37/28/656743728.db2.gz KJMABFICBRQXPC-UHFFFAOYSA-N -2 3 381.772 2.921 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)s1 ZINC000776501573 656748969 /nfs/dbraw/zinc/74/89/69/656748969.db2.gz VBIYIOUYOWFBQX-GFCCVEGCSA-N -2 3 394.396 2.829 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)c(C)c1Cl ZINC000788440075 657717919 /nfs/dbraw/zinc/71/79/19/657717919.db2.gz FAHUAEZDJKBWBO-MRVPVSSYSA-N -2 3 397.902 2.664 20 0 GFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788443556 657719566 /nfs/dbraw/zinc/71/95/66/657719566.db2.gz YGJUAPRMUOAWHG-IONNQARKSA-N -2 3 397.902 2.664 20 0 GFADHL C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000809151389 659918577 /nfs/dbraw/zinc/91/85/77/659918577.db2.gz XUYDHHFKDVNPLC-VXJOIVPMSA-N -2 3 385.800 2.978 20 0 GFADHL O=C([N-]CCOCCOC(=O)c1cc2cc(Cl)sc2[n-]1)C(F)(F)F ZINC000810660080 659982035 /nfs/dbraw/zinc/98/20/35/659982035.db2.gz DNLFSXRKPIIAIY-UHFFFAOYSA-N -2 3 384.763 2.735 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[N-]OC1CCCCC1 ZINC000811230365 660004492 /nfs/dbraw/zinc/00/44/92/660004492.db2.gz MRKFJZYFDSSNAC-UHFFFAOYSA-N -2 3 381.281 2.652 20 0 GFADHL C[C@@](CC(=O)[O-])(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000864199300 662360216 /nfs/dbraw/zinc/36/02/16/662360216.db2.gz FEIWHCGAMUNGEB-KRWDZBQOSA-N -2 3 393.237 2.664 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CCO2 ZINC000906001565 663907056 /nfs/dbraw/zinc/90/70/56/663907056.db2.gz JRMROLIMAGHZIT-QMJNDHNRSA-N -2 3 394.276 2.684 20 0 GFADHL CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2cc([O-])cc(Br)c2)C(=O)[O-])C1 ZINC000909916016 664183700 /nfs/dbraw/zinc/18/37/00/664183700.db2.gz ZDDOVPNQEMPHIA-FZQKWOKYSA-N -2 3 386.242 2.543 20 0 GFADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)[C@H]([C@@H]2CCCO2)C1 ZINC000923160663 664623298 /nfs/dbraw/zinc/62/32/98/664623298.db2.gz UESSSBPBSJMWEA-ONERCXAPSA-N -2 3 398.253 2.639 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccsc2Cl)c(F)c1 ZINC000437669374 563698208 /nfs/dbraw/zinc/69/82/08/563698208.db2.gz OQMORPVVVJODDR-UHFFFAOYSA-N -2 3 384.863 2.713 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000121123683 551227841 /nfs/dbraw/zinc/22/78/41/551227841.db2.gz MAGQGPSCZOREKT-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000121123683 551227843 /nfs/dbraw/zinc/22/78/43/551227843.db2.gz MAGQGPSCZOREKT-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL CCC(CC)(CC)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000150915737 551403732 /nfs/dbraw/zinc/40/37/32/551403732.db2.gz RTRKARDWIUBSRE-UHFFFAOYSA-N -2 3 380.507 2.692 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c(F)c1 ZINC000184963906 552349602 /nfs/dbraw/zinc/34/96/02/552349602.db2.gz HFMUUNZOZDFGNE-UHFFFAOYSA-N -2 3 382.394 2.719 20 0 GFADHL CCOC(=O)c1cc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n[n-]1 ZINC000194689328 553027082 /nfs/dbraw/zinc/02/70/82/553027082.db2.gz YHNCIONPKCASBP-UHFFFAOYSA-N -2 3 378.237 2.835 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCCC1 ZINC000236419043 553069435 /nfs/dbraw/zinc/06/94/35/553069435.db2.gz PSLWBQJAHQFYCR-UHFFFAOYSA-N -2 3 382.663 2.778 20 0 GFADHL O=C([O-])C1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCCC1 ZINC000237965312 553084433 /nfs/dbraw/zinc/08/44/33/553084433.db2.gz WUTLCAGHQGMXFK-UHFFFAOYSA-N -2 3 393.237 2.808 20 0 GFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000263553828 553189647 /nfs/dbraw/zinc/18/96/47/553189647.db2.gz MVCBVQYGCOKSSQ-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c1Cl ZINC000319076822 563444956 /nfs/dbraw/zinc/44/49/56/563444956.db2.gz BDEOGPSWGSASFS-MRVPVSSYSA-N -2 3 376.208 2.997 20 0 GFADHL NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000326473208 563455039 /nfs/dbraw/zinc/45/50/39/563455039.db2.gz BDAVGQROVDVEOB-UHFFFAOYSA-N -2 3 389.216 2.591 20 0 GFADHL Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3[N-]S(C)(=O)=O)cc2s1 ZINC000427116248 563459826 /nfs/dbraw/zinc/45/98/26/563459826.db2.gz FPYIMZYXUYMHSX-UHFFFAOYSA-N -2 3 397.503 2.777 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1Cl ZINC000427312589 563465268 /nfs/dbraw/zinc/46/52/68/563465268.db2.gz GTKLUVCKAFLGHM-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000380310855 563515233 /nfs/dbraw/zinc/51/52/33/563515233.db2.gz IAVFJTWNWLAGOD-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL CCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1C(=O)[O-] ZINC000389384994 563522142 /nfs/dbraw/zinc/52/21/42/563522142.db2.gz IISGRKURMXWOGB-UHFFFAOYSA-N -2 3 391.218 2.909 20 0 GFADHL CSc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433618799 563616562 /nfs/dbraw/zinc/61/65/62/563616562.db2.gz PXJHROKQKDFIEJ-UHFFFAOYSA-N -2 3 390.483 2.720 20 0 GFADHL O=C(NCC1CC1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436759532 563679728 /nfs/dbraw/zinc/67/97/28/563679728.db2.gz ZMJSCPMBVZDVNQ-UHFFFAOYSA-N -2 3 380.853 2.986 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)ccc1Cl ZINC000362672712 563708537 /nfs/dbraw/zinc/70/85/37/563708537.db2.gz ZIAFGMLVNPEQJB-UHFFFAOYSA-N -2 3 378.797 2.624 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)c(F)c1 ZINC000438755301 563709724 /nfs/dbraw/zinc/70/97/24/563709724.db2.gz RSJWCOCGSIWTHN-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)c(F)c1 ZINC000438755301 563709728 /nfs/dbraw/zinc/70/97/28/563709728.db2.gz RSJWCOCGSIWTHN-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442239294 563769990 /nfs/dbraw/zinc/76/99/90/563769990.db2.gz CPHWOYJRKYYONF-UHFFFAOYSA-N -3 3 391.735 2.815 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(SC)cc2OC)ccc1[O-] ZINC000446623660 563866604 /nfs/dbraw/zinc/86/66/04/563866604.db2.gz KYFFPWKUNMZVSG-UHFFFAOYSA-N -2 3 383.447 2.710 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000540983004 564262122 /nfs/dbraw/zinc/26/21/22/564262122.db2.gz CUYBGHXZUTXUNH-VIFPVBQESA-N -2 3 382.251 2.756 20 0 GFADHL CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000451103427 564275135 /nfs/dbraw/zinc/27/51/35/564275135.db2.gz NKZRALSIRDDGKL-UHFFFAOYSA-N -2 3 393.487 2.578 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)C2CCCC2)c(F)c1 ZINC000451197926 564286408 /nfs/dbraw/zinc/28/64/08/564286408.db2.gz ZUJYRUGMFKKZII-GFCCVEGCSA-N -2 3 392.518 2.834 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000566851103 564346675 /nfs/dbraw/zinc/34/66/75/564346675.db2.gz KOGJWCRIXFQIKP-KWQFWETISA-N -2 3 387.351 2.748 20 0 GFADHL CS(=O)(=O)c1cc([N-]S(=O)(=O)CCC2CCCCC2)cc(C(=O)[O-])c1 ZINC000568040809 564401916 /nfs/dbraw/zinc/40/19/16/564401916.db2.gz WKQQOMPVRFHSBF-UHFFFAOYSA-N -2 3 389.495 2.500 20 0 GFADHL O=C(NCc1ccc([O-])c(F)c1)c1ccc(I)c([O-])c1 ZINC000545457808 564423622 /nfs/dbraw/zinc/42/36/22/564423622.db2.gz YUXAMRYWGRUVDX-UHFFFAOYSA-N -2 3 387.148 2.772 20 0 GFADHL O=C([O-])c1c(F)cc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1F ZINC000568737031 564432639 /nfs/dbraw/zinc/43/26/39/564432639.db2.gz QKHFMJBMJICRCK-UHFFFAOYSA-N -2 3 379.743 2.934 20 0 GFADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)C2CC2)n1 ZINC000546970425 564476032 /nfs/dbraw/zinc/47/60/32/564476032.db2.gz NZYOWNHHJRLPNQ-AWEZNQCLSA-N -2 3 382.463 2.593 20 0 GFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000547571999 564495691 /nfs/dbraw/zinc/49/56/91/564495691.db2.gz KUKMNMXKWWXMEY-VIFPVBQESA-N -2 3 382.251 2.900 20 0 GFADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])cc1Cl ZINC000547576345 564496524 /nfs/dbraw/zinc/49/65/24/564496524.db2.gz PNCXGXRJIMTRJB-VIFPVBQESA-N -2 3 394.852 2.749 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2ccc(F)cc2)C(=O)[O-])c(Cl)cc1F ZINC000547573602 564496758 /nfs/dbraw/zinc/49/67/58/564496758.db2.gz ZZRPREHUNWNMFN-CQSZACIVSA-N -2 3 389.807 2.901 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000547611996 564502201 /nfs/dbraw/zinc/50/22/01/564502201.db2.gz NQZWIKCJRAZTAA-ZDUSSCGKSA-N -2 3 382.265 2.542 20 0 GFADHL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Cl ZINC000481456681 564512471 /nfs/dbraw/zinc/51/24/71/564512471.db2.gz ZEBGWYIKUFCCFC-UHFFFAOYSA-N -3 3 387.797 2.562 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000547869281 564514374 /nfs/dbraw/zinc/51/43/74/564514374.db2.gz DNDBBZKRCQZYKY-RISCZKNCSA-N -2 3 387.479 2.580 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccccn1 ZINC000547881586 564515725 /nfs/dbraw/zinc/51/57/25/564515725.db2.gz MADKTNJIBSAUBK-JTQLQIEISA-N -2 3 389.260 2.610 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1C(=O)[O-] ZINC000547886301 564516029 /nfs/dbraw/zinc/51/60/29/564516029.db2.gz VMEAIYFIPJTEQC-UHFFFAOYSA-N -2 3 375.233 2.874 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1cccc(Cl)c1 ZINC000547881921 564516266 /nfs/dbraw/zinc/51/62/66/564516266.db2.gz LHJMAEJWQLUPLW-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])c(Cl)c1Cl ZINC000547898716 564518327 /nfs/dbraw/zinc/51/83/27/564518327.db2.gz SOPZCOJYQMLIDG-SECBINFHSA-N -2 3 394.232 2.569 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)CC(=O)[O-] ZINC000547935636 564523427 /nfs/dbraw/zinc/52/34/27/564523427.db2.gz LJMYVMNMYKIHSZ-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000547939026 564524413 /nfs/dbraw/zinc/52/44/13/564524413.db2.gz UFAOUXXGESGRTC-LBPRGKRZSA-N -2 3 382.265 2.542 20 0 GFADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)C2CC2)s1 ZINC000517234037 564527929 /nfs/dbraw/zinc/52/79/29/564527929.db2.gz ONPZRZHVAQZPQZ-HNNXBMFYSA-N -2 3 384.454 2.647 20 0 GFADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000548210895 564536853 /nfs/dbraw/zinc/53/68/53/564536853.db2.gz UXIWDHQSOKAGSH-UHFFFAOYSA-N -2 3 382.825 2.822 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)Cc1cccnc1 ZINC000548229238 564539712 /nfs/dbraw/zinc/53/97/12/564539712.db2.gz RYIQRINOPCELEL-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000517793391 564542434 /nfs/dbraw/zinc/54/24/34/564542434.db2.gz SHNZPUZYOMXMHY-SNVBAGLBSA-N -2 3 379.381 2.914 20 0 GFADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000548260895 564544739 /nfs/dbraw/zinc/54/47/39/564544739.db2.gz VXHIJEYJEBFECR-GFCCVEGCSA-N -2 3 394.287 2.625 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1ccccc1F ZINC000548527455 564555697 /nfs/dbraw/zinc/55/56/97/564555697.db2.gz GFVWKGNHIORFQZ-JTQLQIEISA-N -2 3 394.243 2.754 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1cccs1 ZINC000548524729 564555782 /nfs/dbraw/zinc/55/57/82/564555782.db2.gz VLQOMUOTRNSWPY-LLVKDONJSA-N -2 3 394.243 2.754 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)Cc1ccccn1 ZINC000548537185 564557461 /nfs/dbraw/zinc/55/74/61/564557461.db2.gz MOVCTHCABQFKAS-JTQLQIEISA-N -2 3 389.260 2.610 20 0 GFADHL CC(C)(CCC[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548542188 564558107 /nfs/dbraw/zinc/55/81/07/564558107.db2.gz JJXKFLXBYIRXTR-UHFFFAOYSA-N -2 3 382.251 2.758 20 0 GFADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-] ZINC000548555692 564559425 /nfs/dbraw/zinc/55/94/25/564559425.db2.gz WGRLVHLKXAUJIS-SNVBAGLBSA-N -2 3 394.287 2.770 20 0 GFADHL COc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000548578739 564563619 /nfs/dbraw/zinc/56/36/19/564563619.db2.gz AJQWUKRRGWBVOG-ZDUSSCGKSA-N -2 3 387.816 2.982 20 0 GFADHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000519044019 564568096 /nfs/dbraw/zinc/56/80/96/564568096.db2.gz UKAKDKODBNOADA-SSDOTTSWSA-N -2 3 377.431 2.642 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1OC ZINC000571997519 564576089 /nfs/dbraw/zinc/57/60/89/564576089.db2.gz CAINJGWJBRKKEA-QMMMGPOBSA-N -2 3 389.426 2.642 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000485401612 564614597 /nfs/dbraw/zinc/61/45/97/564614597.db2.gz GZMHRIANQHYZQP-UHFFFAOYSA-N -2 3 386.470 2.923 20 0 GFADHL CCc1nc([C@@H](C)[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cs1 ZINC000572997781 564619310 /nfs/dbraw/zinc/61/93/10/564619310.db2.gz ORJZDTFGKBXZIO-SSDOTTSWSA-N -2 3 376.481 2.513 20 0 GFADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000573034861 564620096 /nfs/dbraw/zinc/62/00/96/564620096.db2.gz ZHCZQBIOYGOTGM-IINYFYTJSA-N -2 3 380.388 2.660 20 0 GFADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000574041471 564666480 /nfs/dbraw/zinc/66/64/80/564666480.db2.gz RYEKLUAMGDXQGB-ZYHUDNBSSA-N -2 3 391.287 2.546 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000526059497 564718116 /nfs/dbraw/zinc/71/81/16/564718116.db2.gz SPWNEJRQQBFTFQ-JTQLQIEISA-N -2 3 381.262 2.863 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)s1 ZINC000526950927 564723581 /nfs/dbraw/zinc/72/35/81/564723581.db2.gz LDJXYZFFUIWLPI-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL CSc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000460832004 564781837 /nfs/dbraw/zinc/78/18/37/564781837.db2.gz WCFWHWCRQACEFR-UHFFFAOYSA-N -2 3 386.520 2.889 20 0 GFADHL CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000463109760 564870091 /nfs/dbraw/zinc/87/00/91/564870091.db2.gz STPGQSUUIDBHQT-UHFFFAOYSA-N -2 3 376.221 2.718 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccccc2OCC(F)(F)F)c1 ZINC000559883769 564941308 /nfs/dbraw/zinc/94/13/08/564941308.db2.gz FNFWDUWNCVMRDQ-UHFFFAOYSA-N -2 3 395.380 2.866 20 0 GFADHL Cc1nc(C=Cc2cccc(I)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504722384 565043718 /nfs/dbraw/zinc/04/37/18/565043718.db2.gz VEYDRLLXZHXNNH-AATRIKPKSA-N -2 3 396.184 2.893 20 0 GFADHL COc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000537402664 565058052 /nfs/dbraw/zinc/05/80/52/565058052.db2.gz IKJMSVKJHOFTFU-AWEZNQCLSA-N -2 3 380.194 2.719 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)cc2)oc1C(=O)[O-] ZINC000663420557 565419530 /nfs/dbraw/zinc/41/95/30/565419530.db2.gz RQLXEDIYVDKCDF-UHFFFAOYSA-N -2 3 377.340 2.826 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000645976554 565580486 /nfs/dbraw/zinc/58/04/86/565580486.db2.gz KZMLIXOBJLWYFK-ZDUSSCGKSA-N -2 3 381.475 2.755 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000650427503 565819925 /nfs/dbraw/zinc/81/99/25/565819925.db2.gz LBJRFQFCHOIWTC-ZETCQYMHSA-N -2 3 382.663 2.634 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCCCC(=O)[O-] ZINC000629292347 565835976 /nfs/dbraw/zinc/83/59/76/565835976.db2.gz JCGGILJZVFYYGT-UHFFFAOYSA-N -2 3 382.251 2.820 20 0 GFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cscc2Br)CC1 ZINC000630414210 565899102 /nfs/dbraw/zinc/89/91/02/565899102.db2.gz PVGQLVITSWUQMU-KYZUINATSA-N -2 3 382.301 2.680 20 0 GFADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-])C1CC1 ZINC000656169849 566109772 /nfs/dbraw/zinc/10/97/72/566109772.db2.gz RVQWGNPZWUITDP-QWHCGFSZSA-N -2 3 382.265 2.540 20 0 GFADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000656181578 566111548 /nfs/dbraw/zinc/11/15/48/566111548.db2.gz UOKUWPLCTPHZPQ-BDAKNGLRSA-N -2 3 387.401 2.533 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(F)cc2F)s1 ZINC000681574932 566114367 /nfs/dbraw/zinc/11/43/67/566114367.db2.gz JYXFGUYPNOZHHR-LBPRGKRZSA-N -2 3 376.406 2.532 20 0 GFADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-] ZINC000656516746 566132146 /nfs/dbraw/zinc/13/21/46/566132146.db2.gz IVQLHGOEKZIDDJ-NXEZZACHSA-N -2 3 394.287 2.625 20 0 GFADHL COc1cccc(C[C@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C(=O)[O-])c1 ZINC000682697817 566168950 /nfs/dbraw/zinc/16/89/50/566168950.db2.gz GGSMCIOHDCECLA-LBPRGKRZSA-N -2 3 389.882 2.693 20 0 GFADHL CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736323537 598842921 /nfs/dbraw/zinc/84/29/21/598842921.db2.gz BATLLXZZVWRTDC-NSHDSACASA-N -2 3 391.428 2.984 20 0 GFADHL CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736323537 598842923 /nfs/dbraw/zinc/84/29/23/598842923.db2.gz BATLLXZZVWRTDC-NSHDSACASA-N -2 3 391.428 2.984 20 0 GFADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822399798 607256029 /nfs/dbraw/zinc/25/60/29/607256029.db2.gz NCICKFUVAZUOMI-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccccc1-c1nnn[n-]1 ZINC000738345491 599237855 /nfs/dbraw/zinc/23/78/55/599237855.db2.gz OLHCDVUHFWZDFO-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccccc1-c1nn[n-]n1 ZINC000738345491 599237857 /nfs/dbraw/zinc/23/78/57/599237857.db2.gz OLHCDVUHFWZDFO-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736451261 598637036 /nfs/dbraw/zinc/63/70/36/598637036.db2.gz ICUGWODENXYSFW-UHFFFAOYSA-N -2 3 388.453 2.632 20 0 GFADHL C[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315098903 599770582 /nfs/dbraw/zinc/77/05/82/599770582.db2.gz CCHJJBZYWCAZGC-SECBINFHSA-N -2 3 388.239 2.650 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000477414071 599906220 /nfs/dbraw/zinc/90/62/20/599906220.db2.gz DWASQGFGVIXBMT-UHFFFAOYSA-N -2 3 378.381 2.518 20 0 GFADHL O=C([O-])CCSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000739753183 600070126 /nfs/dbraw/zinc/07/01/26/600070126.db2.gz DLHHXUIRTOIFLP-UHFFFAOYSA-N -3 3 395.458 2.894 20 0 GFADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738838453 600202567 /nfs/dbraw/zinc/20/25/67/600202567.db2.gz WQTCGTXNSGWARZ-UHFFFAOYSA-N -2 3 398.806 2.673 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCC2CC2)c(F)cc1Br ZINC000740087697 600239467 /nfs/dbraw/zinc/23/94/67/600239467.db2.gz LFKVGAQHCPPGFH-UHFFFAOYSA-N -2 3 380.235 2.755 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000576549806 600244661 /nfs/dbraw/zinc/24/46/61/600244661.db2.gz MURSPQNLDPZGJT-ZWKOTPCHSA-N -2 3 391.445 2.868 20 0 GFADHL O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)COC(=O)c1cncc([O-])c1 ZINC000739322976 600371531 /nfs/dbraw/zinc/37/15/31/600371531.db2.gz ZXDGYEFRWDYKIK-UHFFFAOYSA-N -2 3 385.159 2.588 20 0 GFADHL Cc1nc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000738844745 600415917 /nfs/dbraw/zinc/41/59/17/600415917.db2.gz OHLGZMPZUGJBJK-KRWDZBQOSA-N -2 3 385.464 2.971 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)cc1C(=O)[O-] ZINC000042122910 600541926 /nfs/dbraw/zinc/54/19/26/600541926.db2.gz AWUWPVNVGLERPV-UHFFFAOYSA-N -2 3 398.824 2.806 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000268610057 600545973 /nfs/dbraw/zinc/54/59/73/600545973.db2.gz MCWWEZAYSSNCDP-HNNXBMFYSA-N -2 3 377.418 2.662 20 0 GFADHL CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736868785 600633697 /nfs/dbraw/zinc/63/36/97/600633697.db2.gz AXMNGEMHCOEXAE-SFYZADRCSA-N -2 3 382.251 2.999 20 0 GFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000740239484 600896805 /nfs/dbraw/zinc/89/68/05/600896805.db2.gz BOAAOHSMBXNABH-UHFFFAOYSA-N -2 3 378.475 2.739 20 0 GFADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000829202321 601214466 /nfs/dbraw/zinc/21/44/66/601214466.db2.gz MAKUWEHIJPRHON-AWEZNQCLSA-N -2 3 398.264 2.702 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)c1C ZINC000605613926 601223875 /nfs/dbraw/zinc/22/38/75/601223875.db2.gz RSNSQPWSVGGQQY-UHFFFAOYSA-N -2 3 393.461 2.952 20 0 GFADHL CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000827054434 601230332 /nfs/dbraw/zinc/23/03/32/601230332.db2.gz JYNXBRGOTFVZRI-UHFFFAOYSA-N -2 3 399.415 2.971 20 0 GFADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000831590492 601266827 /nfs/dbraw/zinc/26/68/27/601266827.db2.gz IXHHYAGLYAQHQK-GFCCVEGCSA-N -2 3 389.779 2.517 20 0 GFADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1(CC)CC ZINC000829931389 601269198 /nfs/dbraw/zinc/26/91/98/601269198.db2.gz OFDNGZSTAYBJHW-STQMWFEESA-N -2 3 391.436 2.925 20 0 GFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000832795179 601284177 /nfs/dbraw/zinc/28/41/77/601284177.db2.gz XMHFWNDASHAQFB-UHFFFAOYSA-N -2 3 391.434 2.615 20 0 GFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000832793910 601285499 /nfs/dbraw/zinc/28/54/99/601285499.db2.gz CVZSRSZLEKKPBT-UHFFFAOYSA-N -2 3 377.422 2.708 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)c1C ZINC000606828462 601332425 /nfs/dbraw/zinc/33/24/25/601332425.db2.gz UZTPUFCHFCAZLE-QGZVFWFLSA-N -2 3 391.445 2.970 20 0 GFADHL CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C(=O)[O-] ZINC000262992924 601753420 /nfs/dbraw/zinc/75/34/20/601753420.db2.gz OPROIVAYMYAMOS-QGZVFWFLSA-N -2 3 390.461 2.697 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1-c1nn[n-]n1 ZINC000826303765 607534232 /nfs/dbraw/zinc/53/42/32/607534232.db2.gz DKPAZZKZVYTZEA-UHFFFAOYSA-N -2 3 382.405 2.631 20 0 GFADHL C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329774 602146927 /nfs/dbraw/zinc/14/69/27/602146927.db2.gz ODVOMFJIUPZWPR-SSDOTTSWSA-N -2 3 394.268 2.711 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000831444557 602218891 /nfs/dbraw/zinc/21/88/91/602218891.db2.gz HBBNUWGCCYYQAC-CQSZACIVSA-N -2 3 397.474 2.665 20 0 GFADHL C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823723927 603284133 /nfs/dbraw/zinc/28/41/33/603284133.db2.gz NSJITXRKHOQUNS-MLGOLLRUSA-N -2 3 391.449 2.642 20 0 GFADHL O=C([O-])NC1(CC(=O)Nc2cc(I)ccc2[O-])CCC1 ZINC000832210896 603887629 /nfs/dbraw/zinc/88/76/29/603887629.db2.gz CRNNYLAOKFFXDX-UHFFFAOYSA-N -2 3 390.177 2.516 20 0 GFADHL CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(NC(=O)[O-])ccc3F)cc21 ZINC000825697856 604422829 /nfs/dbraw/zinc/42/28/29/604422829.db2.gz UHVILOZRCHLYOV-UHFFFAOYSA-N -2 3 393.396 2.946 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(Br)n1 ZINC000832952991 604798671 /nfs/dbraw/zinc/79/86/71/604798671.db2.gz RXQMJURLMXQNJJ-UHFFFAOYSA-N -2 3 377.241 2.713 20 0 GFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000833749393 604944110 /nfs/dbraw/zinc/94/41/10/604944110.db2.gz JIUGJMPHKBGAID-UHFFFAOYSA-N -3 3 389.307 2.610 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)CCCCC2)no1 ZINC000567803301 605000640 /nfs/dbraw/zinc/00/06/40/605000640.db2.gz XANIOZIMWNLBHL-UHFFFAOYSA-N -2 3 399.856 2.868 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-])c1noc(-c2ccccc2)n1 ZINC000833523835 605048125 /nfs/dbraw/zinc/04/81/25/605048125.db2.gz YSOSSAKPJXZDQP-JTQLQIEISA-N -2 3 391.380 2.613 20 0 GFADHL O=C([O-])NCc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000832697392 605415528 /nfs/dbraw/zinc/41/55/28/605415528.db2.gz BAEDSIIKVIVWJA-UHFFFAOYSA-N -2 3 379.210 2.852 20 0 GFADHL O=C([O-])C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Br)cc1 ZINC000833773314 605760526 /nfs/dbraw/zinc/76/05/26/605760526.db2.gz UFNRFDDBYSSYPG-ZDUSSCGKSA-N -2 3 389.209 2.666 20 0 GFADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000819832872 606787778 /nfs/dbraw/zinc/78/77/78/606787778.db2.gz CAIFZFGWVMJPNU-UHFFFAOYSA-N -2 3 391.840 2.832 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCCC1(C)C ZINC000826279463 607778524 /nfs/dbraw/zinc/77/85/24/607778524.db2.gz QSZSGFSIFDFFKK-AWEZNQCLSA-N -2 3 391.497 2.587 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCCC1(C)C ZINC000826279463 607778525 /nfs/dbraw/zinc/77/85/25/607778525.db2.gz QSZSGFSIFDFFKK-AWEZNQCLSA-N -2 3 391.497 2.587 20 0 GFADHL O=S(=O)([N-]c1cnc(-c2ccccc2)s1)c1ccccc1-c1nnn[n-]1 ZINC000826492773 608529227 /nfs/dbraw/zinc/52/92/27/608529227.db2.gz CJDNUBXSGMBALR-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL O=S(=O)([N-]c1cnc(-c2ccccc2)s1)c1ccccc1-c1nn[n-]n1 ZINC000826492773 608529229 /nfs/dbraw/zinc/52/92/29/608529229.db2.gz CJDNUBXSGMBALR-UHFFFAOYSA-N -2 3 384.446 2.791 20 0 GFADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc2s1 ZINC000826329155 609276243 /nfs/dbraw/zinc/27/62/43/609276243.db2.gz RXJUTDORTUXSDZ-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc2s1 ZINC000826329155 609276245 /nfs/dbraw/zinc/27/62/45/609276245.db2.gz RXJUTDORTUXSDZ-UHFFFAOYSA-N -2 3 390.425 2.725 20 0 GFADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000825481358 609371810 /nfs/dbraw/zinc/37/18/10/609371810.db2.gz XWJGFKCSMJGBGA-UHFFFAOYSA-N -2 3 376.417 2.547 20 0 GFADHL O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492962 609524936 /nfs/dbraw/zinc/52/49/36/609524936.db2.gz NHEWSRZRVARIOM-UHFFFAOYSA-N -2 3 375.841 2.810 20 0 GFADHL O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492962 609524938 /nfs/dbraw/zinc/52/49/38/609524938.db2.gz NHEWSRZRVARIOM-UHFFFAOYSA-N -2 3 375.841 2.810 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1-c1nn[n-]n1 ZINC000826299568 660452534 /nfs/dbraw/zinc/45/25/34/660452534.db2.gz LEGJHGTVZQCUTF-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1F ZINC000135361840 655014561 /nfs/dbraw/zinc/01/45/61/655014561.db2.gz ABTUCCGUSCBJHM-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Br)cc1[O-] ZINC000093916925 655023727 /nfs/dbraw/zinc/02/37/27/655023727.db2.gz DPQFPAQIRKTEQE-UHFFFAOYSA-N -2 3 385.239 2.779 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000105391343 655092113 /nfs/dbraw/zinc/09/21/13/655092113.db2.gz ZXLNYVPCVGNUBP-UHFFFAOYSA-N -2 3 394.396 2.878 20 0 GFADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000275261060 655225522 /nfs/dbraw/zinc/22/55/22/655225522.db2.gz MDFSBHMCKLNINV-SSDOTTSWSA-N -2 3 381.706 2.746 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)Cn1cccn1 ZINC000184939560 655360847 /nfs/dbraw/zinc/36/08/47/655360847.db2.gz UPDWUQFLUGDMDW-VIFPVBQESA-N -2 3 392.264 2.503 20 0 GFADHL Cc1cc(F)c(Br)cc1S(=O)(=O)[N-][N-]C(=O)CC(C)(C)C ZINC000189286210 655385663 /nfs/dbraw/zinc/38/56/63/655385663.db2.gz AOYCZEJSFMNRPI-UHFFFAOYSA-N -2 3 381.267 2.642 20 0 GFADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)o1 ZINC000840892976 661200692 /nfs/dbraw/zinc/20/06/92/661200692.db2.gz BGNCXDJGPAZBHF-UHFFFAOYSA-N -2 3 376.793 2.596 20 0 GFADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)o1 ZINC000840894825 661201745 /nfs/dbraw/zinc/20/17/45/661201745.db2.gz VRCIVWAMNZMCQM-UHFFFAOYSA-N -2 3 376.793 2.596 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)c1ccc(Cl)cc1 ZINC000776537874 656754276 /nfs/dbraw/zinc/75/42/76/656754276.db2.gz NQFVBPGIYPPLTR-NSHDSACASA-N -2 3 389.260 2.925 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)s1 ZINC000776540169 656754792 /nfs/dbraw/zinc/75/47/92/656754792.db2.gz OJHIYUSMQUGPGN-NSHDSACASA-N -2 3 394.396 2.965 20 0 GFADHL O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000776599456 656764830 /nfs/dbraw/zinc/76/48/30/656764830.db2.gz HFPIMQURBTYFCT-NSHDSACASA-N -2 3 382.265 2.542 20 0 GFADHL O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000776599455 656765033 /nfs/dbraw/zinc/76/50/33/656765033.db2.gz HFPIMQURBTYFCT-LLVKDONJSA-N -2 3 382.265 2.542 20 0 GFADHL C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000798357238 659096353 /nfs/dbraw/zinc/09/63/53/659096353.db2.gz GXTMROCNOPATCG-HTQZYQBOSA-N -2 3 382.301 2.923 20 0 GFADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000806640778 659838820 /nfs/dbraw/zinc/83/88/20/659838820.db2.gz WOJHGDFWZPDULC-SNVBAGLBSA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F)C(F)F ZINC000809226611 659919517 /nfs/dbraw/zinc/91/95/17/659919517.db2.gz FCNVBJUEGJGCIH-MRVPVSSYSA-N -2 3 396.774 2.662 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F)C(F)(F)F ZINC000871962635 662746907 /nfs/dbraw/zinc/74/69/07/662746907.db2.gz FMYYRGZELJNHST-YFKPBYRVSA-N -2 3 381.250 2.513 20 0 GFADHL COc1cnc([C@@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])[n-]c1=O ZINC000889791202 663267222 /nfs/dbraw/zinc/26/72/22/663267222.db2.gz XZJFTLAYISZKQQ-NSHDSACASA-N -2 3 394.225 2.636 20 0 GFADHL O=C([O-])c1cnn(C2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)c1 ZINC000909832949 664178963 /nfs/dbraw/zinc/17/89/63/664178963.db2.gz JTUPEJRJBVIFTQ-UHFFFAOYSA-N -2 3 394.225 2.527 20 0 GFADHL CC1(C)CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000386790659 677407644 /nfs/dbraw/zinc/40/76/44/677407644.db2.gz LQYMEMWODNVUFM-MRVPVSSYSA-N -2 3 380.260 2.845 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C1CCCCC1 ZINC000038036706 210422575 /nfs/dbraw/zinc/42/25/75/210422575.db2.gz YPKXPXDNBDBJGC-NSHDSACASA-N -2 3 382.301 2.822 20 0 GFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000401582776 563535043 /nfs/dbraw/zinc/53/50/43/563535043.db2.gz XVXRPJOXRXQRPS-JTQLQIEISA-N -2 3 382.251 2.756 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)c(C)s1 ZINC000026538520 551121757 /nfs/dbraw/zinc/12/17/57/551121757.db2.gz QIOQIXLHIQMFPU-UHFFFAOYSA-N -2 3 378.472 2.676 20 0 GFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000127328850 551340204 /nfs/dbraw/zinc/34/02/04/551340204.db2.gz BDXGRBCZPJZQER-VIFPVBQESA-N -2 3 382.251 2.613 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1F ZINC000135327618 551387366 /nfs/dbraw/zinc/38/73/66/551387366.db2.gz QNMGXGXMEIMHBS-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000164881554 551627806 /nfs/dbraw/zinc/62/78/06/551627806.db2.gz MQGDJQGKWWANNY-DGCLKSJQSA-N -2 3 380.235 2.510 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000172897321 551689728 /nfs/dbraw/zinc/68/97/28/551689728.db2.gz KKKRUGNNTXLBHN-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000176998371 552149609 /nfs/dbraw/zinc/14/96/09/552149609.db2.gz PABWNVLIKMDQMY-UHFFFAOYSA-N -2 3 395.289 2.599 20 0 GFADHL Cc1ccc(-c2ccc(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)s2)o1 ZINC000182903192 552295392 /nfs/dbraw/zinc/29/53/92/552295392.db2.gz MIJUWORUNIBVDF-UHFFFAOYSA-N -2 3 384.464 2.792 20 0 GFADHL Cc1cc(Br)c([O-])c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000182906254 552295740 /nfs/dbraw/zinc/29/57/40/552295740.db2.gz FEFJSQUWYDSNSF-UHFFFAOYSA-N -2 3 380.242 2.735 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000233959271 553066969 /nfs/dbraw/zinc/06/69/69/553066969.db2.gz FKYWCWPFVIEDMS-LBPRGKRZSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312422484 563436619 /nfs/dbraw/zinc/43/66/19/563436619.db2.gz SJCDUPVVKRVEPQ-JTQLQIEISA-N -2 3 382.663 2.634 20 0 GFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312514629 563436911 /nfs/dbraw/zinc/43/69/11/563436911.db2.gz MFZJEZMBAXMSAH-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1sc(Br)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000380620261 563515678 /nfs/dbraw/zinc/51/56/78/563515678.db2.gz RWJHBGRSFLNKAA-RXMQYKEDSA-N -2 3 396.206 2.503 20 0 GFADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000323743551 563451693 /nfs/dbraw/zinc/45/16/93/563451693.db2.gz QOCTVKFZTALJSX-ZETCQYMHSA-N -2 3 377.743 2.801 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC000326672534 563454953 /nfs/dbraw/zinc/45/49/53/563454953.db2.gz JWERQENGZORXTI-UHFFFAOYSA-N -2 3 395.380 2.866 20 0 GFADHL COC(=O)c1cccc(CS(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000327392310 563457978 /nfs/dbraw/zinc/45/79/78/563457978.db2.gz JBMPKQUPDOVPRC-UHFFFAOYSA-N -2 3 383.809 2.767 20 0 GFADHL CCn1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1C(=O)[O-] ZINC000387756764 563519611 /nfs/dbraw/zinc/51/96/11/563519611.db2.gz WDRILAUQZHTMTB-UHFFFAOYSA-N -2 3 391.218 2.909 20 0 GFADHL C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000285614255 563528576 /nfs/dbraw/zinc/52/85/76/563528576.db2.gz WRQOZVVQYLLWNA-IUCAKERBSA-N -2 3 382.265 2.643 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1 ZINC000436526536 563673511 /nfs/dbraw/zinc/67/35/11/563673511.db2.gz JLDLFLKKBZBCSH-UHFFFAOYSA-N -3 3 377.296 2.632 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC000438754002 563709430 /nfs/dbraw/zinc/70/94/30/563709430.db2.gz BKQOGTGDSAQXQD-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2O)c1 ZINC000442836477 563781683 /nfs/dbraw/zinc/78/16/83/563781683.db2.gz NTIHWEVWNDWJHP-UHFFFAOYSA-N -2 3 379.312 2.806 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1CC(=O)[O-] ZINC000538137696 564183756 /nfs/dbraw/zinc/18/37/56/564183756.db2.gz DZWPOTXOJIZUKU-UHFFFAOYSA-N -2 3 375.324 2.540 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000564141553 564222127 /nfs/dbraw/zinc/22/21/27/564222127.db2.gz BADGCSLWAJUNHK-DGCLKSJQSA-N -2 3 393.889 2.531 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474433088 564277699 /nfs/dbraw/zinc/27/76/99/564277699.db2.gz NKGPWPGFGPAVNX-UHFFFAOYSA-N -2 3 399.252 2.817 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c(F)c1 ZINC000451120982 564277909 /nfs/dbraw/zinc/27/79/09/564277909.db2.gz MPGMMCGZTIVDDZ-CYBMUJFWSA-N -2 3 390.502 2.612 20 0 GFADHL NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000541909869 564294823 /nfs/dbraw/zinc/29/48/23/564294823.db2.gz QYBCTYNCNJQLTL-UHFFFAOYSA-N -2 3 389.216 2.591 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br)CC(=O)[O-] ZINC000569108357 564448815 /nfs/dbraw/zinc/44/88/15/564448815.db2.gz MFCJNGOGGWDHNM-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)Cc1cccc(Cl)c1 ZINC000547551318 564493160 /nfs/dbraw/zinc/49/31/60/564493160.db2.gz PSPPAVCCTQRQQG-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])cc1Cl ZINC000547571693 564496006 /nfs/dbraw/zinc/49/60/06/564496006.db2.gz BSEYBUIVSIAQAQ-LLVKDONJSA-N -2 3 394.232 2.569 20 0 GFADHL Cc1sc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000547579858 564497343 /nfs/dbraw/zinc/49/73/43/564497343.db2.gz XKFFOSMDWUYWMC-WDEREUQCSA-N -2 3 376.456 2.667 20 0 GFADHL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)cn1 ZINC000547593286 564500111 /nfs/dbraw/zinc/50/01/11/564500111.db2.gz SIFDCQFKFBVXMR-UHFFFAOYSA-N -2 3 388.243 2.726 20 0 GFADHL C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000547611124 564502554 /nfs/dbraw/zinc/50/25/54/564502554.db2.gz DKRVIBFNKNREPZ-NOZJJQNGSA-N -2 3 388.239 2.782 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])c(Cl)c1Cl ZINC000547898717 564518444 /nfs/dbraw/zinc/51/84/44/564518444.db2.gz SOPZCOJYQMLIDG-VIFPVBQESA-N -2 3 394.232 2.569 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000547921650 564522072 /nfs/dbraw/zinc/52/20/72/564522072.db2.gz HKBUOPFSBMPANV-HSVOFOGUSA-N -2 3 385.507 2.705 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1F ZINC000548524888 564555678 /nfs/dbraw/zinc/55/56/78/564555678.db2.gz GZPRXYLPGNPVHF-LLVKDONJSA-N -2 3 394.243 2.754 20 0 GFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000548541246 564556946 /nfs/dbraw/zinc/55/69/46/564556946.db2.gz FXPAEPUSOVZTGY-LBPRGKRZSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000548536457 564557365 /nfs/dbraw/zinc/55/73/65/564557365.db2.gz VWYCROFIBNFUPQ-UHFFFAOYSA-N -2 3 395.289 2.598 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548551008 564558526 /nfs/dbraw/zinc/55/85/26/564558526.db2.gz CWUQNQXPFJQSHZ-TZMCWYRMSA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000548548999 564558762 /nfs/dbraw/zinc/55/87/62/564558762.db2.gz MFPIYNWBVGMABX-SNVBAGLBSA-N -2 3 391.829 2.545 20 0 GFADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000548588386 564565045 /nfs/dbraw/zinc/56/50/45/564565045.db2.gz NIUGGUORXDPDRL-SNVBAGLBSA-N -2 3 392.271 2.767 20 0 GFADHL Cc1csc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)c1 ZINC000572943049 564616672 /nfs/dbraw/zinc/61/66/72/564616672.db2.gz CDBDRMGUHAMZBU-SNVBAGLBSA-N -2 3 393.408 2.838 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2ccc(OC(F)(F)F)cc2)c1 ZINC000573113069 564623333 /nfs/dbraw/zinc/62/33/33/564623333.db2.gz QQYBGMIVJOLAKL-UHFFFAOYSA-N -2 3 395.380 2.866 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000574573348 564679633 /nfs/dbraw/zinc/67/96/33/564679633.db2.gz IJTPYKDOWHFPFO-CQSZACIVSA-N -2 3 387.816 2.982 20 0 GFADHL CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)CCO1 ZINC000577175367 564728159 /nfs/dbraw/zinc/72/81/59/564728159.db2.gz UWIOVCFBSDHUAT-NWDGAFQWSA-N -2 3 391.511 2.717 20 0 GFADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCCOc2c(Cl)cccc21 ZINC000581605749 564809670 /nfs/dbraw/zinc/80/96/70/564809670.db2.gz WHQBPVVOTDQJFZ-JTQLQIEISA-N -2 3 388.854 2.687 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000581605753 564809918 /nfs/dbraw/zinc/80/99/18/564809918.db2.gz WMEQQYSMYXNQFL-NSHDSACASA-N -2 3 389.495 2.615 20 0 GFADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2c([O-])ccc(Br)c2C)CC1 ZINC000581773244 564817464 /nfs/dbraw/zinc/81/74/64/564817464.db2.gz JEVCZTDLDNSWEE-UHFFFAOYSA-N -2 3 392.271 2.691 20 0 GFADHL CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2OC)C1 ZINC000581820329 564818957 /nfs/dbraw/zinc/81/89/57/564818957.db2.gz ACSRTWCTCIXBEV-VXGBXAGGSA-N -2 3 391.486 2.875 20 0 GFADHL CC(C)(C)c1cc(CS(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)no1 ZINC000583875414 564911076 /nfs/dbraw/zinc/91/10/76/564911076.db2.gz HISYIFQJTCRYFP-CQSZACIVSA-N -2 3 386.857 2.871 20 0 GFADHL COCCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000589160359 565153809 /nfs/dbraw/zinc/15/38/09/565153809.db2.gz RARNVFZVOSBXBD-UHFFFAOYSA-N -2 3 384.841 2.821 20 0 GFADHL CC(C)c1csc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000589266121 565158846 /nfs/dbraw/zinc/15/88/46/565158846.db2.gz PSMPLZFESJSYKY-UHFFFAOYSA-N -2 3 393.487 2.578 20 0 GFADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(F)(F)F ZINC000663293159 565408095 /nfs/dbraw/zinc/40/80/95/565408095.db2.gz BOAJGRVHRZALCS-QMMMGPOBSA-N -2 3 391.770 2.942 20 0 GFADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1cnc2ccsc2c1)C(F)(F)F ZINC000663293399 565408421 /nfs/dbraw/zinc/40/84/21/565408421.db2.gz GFSVFQHKFTUHCG-MRVPVSSYSA-N -2 3 382.385 2.618 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)F)cc2)oc1C(=O)[O-] ZINC000663420709 565418906 /nfs/dbraw/zinc/41/89/06/565418906.db2.gz IVIUUVLMDBBBFY-VIFPVBQESA-N -2 3 375.349 2.927 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCC1 ZINC000644629134 565485376 /nfs/dbraw/zinc/48/53/76/565485376.db2.gz GEADSZDWRDKALT-UHFFFAOYSA-N -2 3 385.335 2.648 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])C1CCOCC1 ZINC000647128416 565639564 /nfs/dbraw/zinc/63/95/64/565639564.db2.gz AYCYERJFRWJKEH-CYBMUJFWSA-N -2 3 391.873 2.530 20 0 GFADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1F ZINC000672775112 565816114 /nfs/dbraw/zinc/81/61/14/565816114.db2.gz SDALDYWUVICVNN-ZDUSSCGKSA-N -2 3 381.372 2.535 20 0 GFADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000672774982 565816579 /nfs/dbraw/zinc/81/65/79/565816579.db2.gz FCOKXATYWWCTKN-SNVBAGLBSA-N -2 3 384.198 2.613 20 0 GFADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1F ZINC000672775110 565816603 /nfs/dbraw/zinc/81/66/03/565816603.db2.gz SDALDYWUVICVNN-CYBMUJFWSA-N -2 3 381.372 2.535 20 0 GFADHL CCOC1(CS(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])CCOCC1 ZINC000629291223 565836612 /nfs/dbraw/zinc/83/66/12/565836612.db2.gz BHUDSGHFEYIWBA-UHFFFAOYSA-N -2 3 391.873 2.674 20 0 GFADHL CC(C)(C)[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000675986571 565921925 /nfs/dbraw/zinc/92/19/25/565921925.db2.gz UBBQOEXKVXUDDK-ZDUSSCGKSA-N -2 3 381.226 2.520 20 0 GFADHL COc1ccc(CN=c2[n-]nc([C@H]3CCCO3)s2)c(Br)c1[O-] ZINC000630963650 565929825 /nfs/dbraw/zinc/92/98/25/565929825.db2.gz SMIFIQKTHAKONH-SNVBAGLBSA-N -2 3 386.271 2.900 20 0 GFADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000656165346 566108877 /nfs/dbraw/zinc/10/88/77/566108877.db2.gz RJVQAMYTDFSESN-GFCCVEGCSA-N -2 3 379.837 2.610 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)[C@@H]1CCCCO1 ZINC000656179894 566111505 /nfs/dbraw/zinc/11/15/05/566111505.db2.gz BYGDELHYNPRSEB-OLZOCXBDSA-N -2 3 391.873 2.673 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)c1ccc(Cl)cc1 ZINC000681573499 566113339 /nfs/dbraw/zinc/11/33/39/566113339.db2.gz XOSONNXUIIWSLB-LLVKDONJSA-N -2 3 389.260 2.925 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1cccs1 ZINC000684134018 566228809 /nfs/dbraw/zinc/22/88/09/566228809.db2.gz ZPUNEAQJGSTEIH-JTQLQIEISA-N -2 3 395.380 2.983 20 0 GFADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736325639 598842715 /nfs/dbraw/zinc/84/27/15/598842715.db2.gz GIUDHMJDTQRMRN-LLVKDONJSA-N -2 3 391.428 2.984 20 0 GFADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736325639 598842717 /nfs/dbraw/zinc/84/27/17/598842717.db2.gz GIUDHMJDTQRMRN-LLVKDONJSA-N -2 3 391.428 2.984 20 0 GFADHL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735913627 598842743 /nfs/dbraw/zinc/84/27/43/598842743.db2.gz LHHONDSBNWKWAC-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735913627 598842745 /nfs/dbraw/zinc/84/27/45/598842745.db2.gz LHHONDSBNWKWAC-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CCOc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1C ZINC000736626360 598844425 /nfs/dbraw/zinc/84/44/25/598844425.db2.gz RYNPCOVHOSANHF-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL CCOc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1C ZINC000736626360 598844426 /nfs/dbraw/zinc/84/44/26/598844426.db2.gz RYNPCOVHOSANHF-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000737301127 598930070 /nfs/dbraw/zinc/93/00/70/598930070.db2.gz HZTYKCGRYIFDCV-UHFFFAOYSA-N -2 3 399.354 2.875 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000737300688 598950627 /nfs/dbraw/zinc/95/06/27/598950627.db2.gz DVDYUSRZARUYIO-UHFFFAOYSA-N -2 3 385.449 2.765 20 0 GFADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737614707 598381670 /nfs/dbraw/zinc/38/16/70/598381670.db2.gz YGSWIEYYELTFOZ-UHFFFAOYSA-N -2 3 388.840 2.813 20 0 GFADHL CC(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735708165 598727006 /nfs/dbraw/zinc/72/70/06/598727006.db2.gz KOBUSNBAHPGCSJ-QGZVFWFLSA-N -2 3 399.476 2.502 20 0 GFADHL CC(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735708165 598727008 /nfs/dbraw/zinc/72/70/08/598727008.db2.gz KOBUSNBAHPGCSJ-QGZVFWFLSA-N -2 3 399.476 2.502 20 0 GFADHL CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(OCCC(=O)[O-])cc3)cc21 ZINC000737123015 599801781 /nfs/dbraw/zinc/80/17/81/599801781.db2.gz OWNUUXSXMKDWNS-UHFFFAOYSA-N -2 3 390.461 2.723 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cc1C(=O)[O-] ZINC000738655282 599927602 /nfs/dbraw/zinc/92/76/02/599927602.db2.gz OZBCUZYMQOFZES-UHFFFAOYSA-N -3 3 395.458 2.812 20 0 GFADHL CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ccc(C(=O)[O-])cc3)nc2)n1 ZINC000737251671 600075067 /nfs/dbraw/zinc/07/50/67/600075067.db2.gz WPRCXPAVBCDVKV-UHFFFAOYSA-N -2 3 380.404 2.996 20 0 GFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC000521509106 600244379 /nfs/dbraw/zinc/24/43/79/600244379.db2.gz NOCAYWBOKSJIKZ-ZWKOTPCHSA-N -2 3 391.445 2.868 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000576549805 600244456 /nfs/dbraw/zinc/24/44/56/600244456.db2.gz MURSPQNLDPZGJT-ROUUACIJSA-N -2 3 391.445 2.868 20 0 GFADHL CC(C)OC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000735028337 600254282 /nfs/dbraw/zinc/25/42/82/600254282.db2.gz JQVWQDHRPHVTIZ-UHFFFAOYSA-N -2 3 392.433 2.820 20 0 GFADHL COc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c1 ZINC000262070585 600484148 /nfs/dbraw/zinc/48/41/48/600484148.db2.gz ISSBJQNRMBFPRU-KRWDZBQOSA-N -2 3 398.415 2.732 20 0 GFADHL CC(C)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000826989939 600979233 /nfs/dbraw/zinc/97/92/33/600979233.db2.gz IDGYALAXEUZIFA-UHFFFAOYSA-N -2 3 386.813 2.732 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCC(C)(C)O)cc1 ZINC000466293349 601224055 /nfs/dbraw/zinc/22/40/55/601224055.db2.gz MLXZDKKQIUDLMQ-UHFFFAOYSA-N -2 3 379.434 2.644 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c1F ZINC000833294222 601229478 /nfs/dbraw/zinc/22/94/78/601229478.db2.gz NXIBWUALPNQHOJ-UHFFFAOYSA-N -2 3 393.314 2.743 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)COCc1ccccc1 ZINC000390420047 601232485 /nfs/dbraw/zinc/23/24/85/601232485.db2.gz PPXJLZPDRVPJIK-LBPRGKRZSA-N -2 3 399.415 2.794 20 0 GFADHL Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832879080 601232829 /nfs/dbraw/zinc/23/28/29/601232829.db2.gz RPBVQMXDBUAQOA-UHFFFAOYSA-N -2 3 385.388 2.637 20 0 GFADHL Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832979943 601235063 /nfs/dbraw/zinc/23/50/63/601235063.db2.gz ZHEVBTZFIZBFFE-UHFFFAOYSA-N -2 3 385.388 2.719 20 0 GFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000826717951 601235897 /nfs/dbraw/zinc/23/58/97/601235897.db2.gz XSKGNZHZEHWFLB-ZWIJEDICSA-N -2 3 391.449 2.720 20 0 GFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1cccnc1 ZINC000826687424 601259475 /nfs/dbraw/zinc/25/94/75/601259475.db2.gz IHWKICYCWOJXTF-LBPRGKRZSA-N -2 3 384.404 2.776 20 0 GFADHL C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000265649541 601332027 /nfs/dbraw/zinc/33/20/27/601332027.db2.gz TYJTZBRIEHIMJB-LBPRGKRZSA-N -2 3 394.424 2.550 20 0 GFADHL O=C([O-])c1cccc(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000833328783 601383691 /nfs/dbraw/zinc/38/36/91/601383691.db2.gz QVZWUCDEWNJLQP-UHFFFAOYSA-N -2 3 383.141 2.947 20 0 GFADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000831084973 601388524 /nfs/dbraw/zinc/38/85/24/601388524.db2.gz VAFXPIJSNNXPNN-HNNXBMFYSA-N -2 3 397.836 2.539 20 0 GFADHL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000740690105 602393534 /nfs/dbraw/zinc/39/35/34/602393534.db2.gz KKYGVZFIJDXGQG-ZDUSSCGKSA-N -2 3 379.210 2.972 20 0 GFADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000740713445 602645963 /nfs/dbraw/zinc/64/59/63/602645963.db2.gz YHSRJBQLXTWRNJ-UHFFFAOYSA-N -2 3 375.406 2.852 20 0 GFADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000740704240 602655207 /nfs/dbraw/zinc/65/52/07/602655207.db2.gz ZMQBLNAAPYQYOC-UHFFFAOYSA-N -2 3 393.396 2.991 20 0 GFADHL C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000738925234 602708222 /nfs/dbraw/zinc/70/82/22/602708222.db2.gz OUPADXJEWSPEIV-ZDUSSCGKSA-N -2 3 384.351 2.559 20 0 GFADHL Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829855457 603546617 /nfs/dbraw/zinc/54/66/17/603546617.db2.gz VFKKDOMTCVTLPX-UHFFFAOYSA-N -2 3 383.330 2.571 20 0 GFADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(=O)[O-])c(Cl)c3)ccc2O1 ZINC000828516660 604805531 /nfs/dbraw/zinc/80/55/31/604805531.db2.gz QGXQPDJIJTWHED-SNVBAGLBSA-N -2 3 397.836 2.928 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1F ZINC000833729565 605124552 /nfs/dbraw/zinc/12/45/52/605124552.db2.gz PPVFFRODLPMACD-UHFFFAOYSA-N -2 3 383.372 2.890 20 0 GFADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000833715937 605124826 /nfs/dbraw/zinc/12/48/26/605124826.db2.gz JCVKVTJBVXBJOW-UHFFFAOYSA-N -2 3 393.392 2.529 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000821417001 606163231 /nfs/dbraw/zinc/16/32/31/606163231.db2.gz GMFZIHMSNKNFDH-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL CCc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000821492101 606209973 /nfs/dbraw/zinc/20/99/73/606209973.db2.gz GYYCJVCVXOAYBL-UHFFFAOYSA-N -2 3 395.391 2.831 20 0 GFADHL O=C([N-]c1nnc(Cc2ccccc2)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823382570 606664987 /nfs/dbraw/zinc/66/49/87/606664987.db2.gz AATPVCJLHOXFIL-UHFFFAOYSA-N -2 3 399.386 2.840 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821043894 606745947 /nfs/dbraw/zinc/74/59/47/606745947.db2.gz VGOHFKOQZNDMET-OAHLLOKOSA-N -2 3 379.486 2.524 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821043894 606745949 /nfs/dbraw/zinc/74/59/49/606745949.db2.gz VGOHFKOQZNDMET-OAHLLOKOSA-N -2 3 379.486 2.524 20 0 GFADHL CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OCCC(=O)[O-])cc1 ZINC000825782345 607975364 /nfs/dbraw/zinc/97/53/64/607975364.db2.gz DOGAODFJWOPHSO-UHFFFAOYSA-N -2 3 378.392 2.757 20 0 GFADHL CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OCCC(=O)[O-])cc1 ZINC000825782345 607975365 /nfs/dbraw/zinc/97/53/65/607975365.db2.gz DOGAODFJWOPHSO-UHFFFAOYSA-N -2 3 378.392 2.757 20 0 GFADHL CCCC(=CC(=O)N=c1[n-]c(C)nn1-c1ccc(-c2nnn[n-]2)cc1)CCC ZINC000825220422 608160166 /nfs/dbraw/zinc/16/01/66/608160166.db2.gz TWAFTYLMBYQTPX-UHFFFAOYSA-N -2 3 380.456 2.643 20 0 GFADHL CCCC(=CC(=O)N=c1[n-]c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)CCC ZINC000825220422 608160167 /nfs/dbraw/zinc/16/01/67/608160167.db2.gz TWAFTYLMBYQTPX-UHFFFAOYSA-N -2 3 380.456 2.643 20 0 GFADHL O=S(=O)([N-]c1cccc2ccc(O)cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492983 609424170 /nfs/dbraw/zinc/42/41/70/609424170.db2.gz NSXWJSCITCASCL-UHFFFAOYSA-N -2 3 385.380 2.665 20 0 GFADHL O=S(=O)([N-]c1cccc2ccc(O)cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492983 609424172 /nfs/dbraw/zinc/42/41/72/609424172.db2.gz NSXWJSCITCASCL-UHFFFAOYSA-N -2 3 385.380 2.665 20 0 GFADHL CCCCn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1C ZINC000825301791 609529719 /nfs/dbraw/zinc/52/97/19/609529719.db2.gz OWGSMNGHTGWAIB-UHFFFAOYSA-N -2 3 395.876 2.626 20 0 GFADHL CCCCn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1C ZINC000825301791 609529721 /nfs/dbraw/zinc/52/97/21/609529721.db2.gz OWGSMNGHTGWAIB-UHFFFAOYSA-N -2 3 395.876 2.626 20 0 GFADHL Cc1ccccc1-c1nc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)cs1 ZINC000066628918 654909939 /nfs/dbraw/zinc/90/99/39/654909939.db2.gz NJYJKDCVCDMQAE-UHFFFAOYSA-N -2 3 395.491 2.594 20 0 GFADHL Cc1cc(C(=O)Nc2ncccc2[O-])ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000748010209 655786359 /nfs/dbraw/zinc/78/63/59/655786359.db2.gz XPCIAYZXRLXISW-UHFFFAOYSA-N -2 3 375.328 2.609 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2C2CC2)c(Br)o1 ZINC000840896319 661202876 /nfs/dbraw/zinc/20/28/76/661202876.db2.gz HUJBBAFVSSEHHJ-VHSXEESVSA-N -2 3 392.271 2.845 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])c(Cl)cc1Cl ZINC000760116370 655969480 /nfs/dbraw/zinc/96/94/80/655969480.db2.gz FXCYKLMWASZPIQ-NSHDSACASA-N -2 3 398.264 2.558 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCCOCC2CC2)c1 ZINC000761242156 656004729 /nfs/dbraw/zinc/00/47/29/656004729.db2.gz HPJXHPAFAAZHGZ-UHFFFAOYSA-N -2 3 382.265 2.787 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@H]1CC1(C)C ZINC000841491610 661273240 /nfs/dbraw/zinc/27/32/40/661273240.db2.gz OKAWARODXOTEEV-HTQZYQBOSA-N -2 3 380.260 2.843 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-]CCCCCCC(=O)[O-])c(C)c1Cl ZINC000788439712 657716943 /nfs/dbraw/zinc/71/69/43/657716943.db2.gz VVHRVGBSKIHXBB-UHFFFAOYSA-N -2 3 397.902 2.810 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c(C)c1Cl ZINC000788441494 657717989 /nfs/dbraw/zinc/71/79/89/657717989.db2.gz LCZLNJCNBXZVDO-QMMMGPOBSA-N -2 3 397.902 2.808 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1C(=O)[O-] ZINC000844797183 661440672 /nfs/dbraw/zinc/44/06/72/661440672.db2.gz HRBHMJMTZXKRDB-UHFFFAOYSA-N -2 3 383.809 2.547 20 0 GFADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCOCC1 ZINC000871929979 662743428 /nfs/dbraw/zinc/74/34/28/662743428.db2.gz MLPFDDCQAPMJRH-UHFFFAOYSA-N -2 3 382.265 2.929 20 0 GFADHL COc1cc(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c(Cl)cc1C(=O)[O-] ZINC000871941613 662744575 /nfs/dbraw/zinc/74/45/75/662744575.db2.gz AZZNWSIZEROQDP-LURJTMIESA-N -2 3 375.752 2.666 20 0 GFADHL Cc1cc(Br)ccc1CS(=O)(=O)[N-]c1n[n-]c(C(F)F)n1 ZINC000903150170 663776071 /nfs/dbraw/zinc/77/60/71/663776071.db2.gz NYDLCTJFXHNDGA-UHFFFAOYSA-N -2 3 381.202 2.755 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F ZINC000903510712 663786127 /nfs/dbraw/zinc/78/61/27/663786127.db2.gz JLKJRSJAHRRXET-IMTBSYHQSA-N -2 3 387.763 2.524 20 0 GFADHL CCc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1F ZINC000151426778 551413300 /nfs/dbraw/zinc/41/33/00/551413300.db2.gz JBTQUGYRJHTKLD-UHFFFAOYSA-N -2 3 390.433 2.700 20 0 GFADHL CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151591340 551417192 /nfs/dbraw/zinc/41/71/92/551417192.db2.gz XSCPBMLXKRLTPK-UHFFFAOYSA-N -2 3 379.210 2.749 20 0 GFADHL O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc([O-])c(Cl)c1 ZINC000180057421 552211688 /nfs/dbraw/zinc/21/16/88/552211688.db2.gz WRYLMCMRJORYCP-UHFFFAOYSA-N -2 3 384.816 2.878 20 0 GFADHL Cn1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1C(=O)[O-] ZINC000191879174 552541306 /nfs/dbraw/zinc/54/13/06/552541306.db2.gz CMEAEOATSUHABX-UHFFFAOYSA-N -2 3 395.181 2.565 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000234017152 553067498 /nfs/dbraw/zinc/06/74/98/553067498.db2.gz RHLWZBKWUDCATE-CPCISQLKSA-N -2 3 384.679 2.880 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Br ZINC000315711873 563440996 /nfs/dbraw/zinc/44/09/96/563440996.db2.gz HLSKDRHEDCATNQ-UHFFFAOYSA-N -2 3 386.223 2.957 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)sc1C(=O)[O-] ZINC000327570335 563458537 /nfs/dbraw/zinc/45/85/37/563458537.db2.gz AWIRDOBFZYGAGD-UHFFFAOYSA-N -2 3 396.368 2.527 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c(Br)c1 ZINC000389868170 563522784 /nfs/dbraw/zinc/52/27/84/563522784.db2.gz ZFGWNDVUWFWCJQ-VIFPVBQESA-N -2 3 398.225 2.861 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000399487776 563533546 /nfs/dbraw/zinc/53/35/46/563533546.db2.gz ZKQRHYKCZKODFU-PRHODGIISA-N -2 3 382.251 2.612 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000399478338 563533629 /nfs/dbraw/zinc/53/36/29/563533629.db2.gz WTZLVLLNJOQOKY-PRHODGIISA-N -2 3 382.251 2.612 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000399487780 563533684 /nfs/dbraw/zinc/53/36/84/563533684.db2.gz ZKQRHYKCZKODFU-UFBFGSQYSA-N -2 3 382.251 2.612 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1CC(=O)[O-] ZINC000431180198 563555855 /nfs/dbraw/zinc/55/58/55/563555855.db2.gz IMUZBDNUFZHXTP-UHFFFAOYSA-N -2 3 375.324 2.540 20 0 GFADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000432761501 563592557 /nfs/dbraw/zinc/59/25/57/563592557.db2.gz UWIWBVQDFGBWOE-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000432761501 563592559 /nfs/dbraw/zinc/59/25/59/563592559.db2.gz UWIWBVQDFGBWOE-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1cc(C(F)(F)F)ccc1[O-] ZINC000436474299 563671369 /nfs/dbraw/zinc/67/13/69/563671369.db2.gz DMRFIUGVSTZSPX-UHFFFAOYSA-N -2 3 375.324 2.983 20 0 GFADHL CCCCCc1nnc([N-]S(=O)(=O)c2ccc([O-])c(C(=O)OC)c2)s1 ZINC000437170764 563689769 /nfs/dbraw/zinc/68/97/69/563689769.db2.gz IOFZIHJVENLNQI-UHFFFAOYSA-N -2 3 385.467 2.564 20 0 GFADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000443077637 563790390 /nfs/dbraw/zinc/79/03/90/563790390.db2.gz VCFXIKLNUIXSSX-UHFFFAOYSA-N -2 3 390.177 2.768 20 0 GFADHL CC[C@H](C)C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000563199780 564179214 /nfs/dbraw/zinc/17/92/14/564179214.db2.gz GQBHELHMARLCJV-XPTSAGLGSA-N -2 3 395.253 2.910 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1CC(=O)[O-] ZINC000538139145 564183721 /nfs/dbraw/zinc/18/37/21/564183721.db2.gz ZWCKAXBIQVDMCE-UHFFFAOYSA-N -2 3 375.324 2.540 20 0 GFADHL CCC(CC)(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000538466280 564191909 /nfs/dbraw/zinc/19/19/09/564191909.db2.gz FXIVBTFZGZERQS-UHFFFAOYSA-N -2 3 395.253 2.911 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)cc1C(=O)[O-] ZINC000565361698 564278363 /nfs/dbraw/zinc/27/83/63/564278363.db2.gz YMBFIGDYJVCEOE-MRVPVSSYSA-N -2 3 375.349 2.927 20 0 GFADHL CC1(C)CCC([N-]S(=O)(=O)c2cnccc2C(F)(F)F)(C(=O)[O-])CC1 ZINC000541930319 564295398 /nfs/dbraw/zinc/29/53/98/564295398.db2.gz UHEIOERTDOOKFN-UHFFFAOYSA-N -2 3 380.388 2.802 20 0 GFADHL CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000451735308 564345944 /nfs/dbraw/zinc/34/59/44/564345944.db2.gz DEAVBGSKWOJIEJ-LBPRGKRZSA-N -2 3 378.491 2.610 20 0 GFADHL NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000543769757 564362671 /nfs/dbraw/zinc/36/26/71/564362671.db2.gz ATKROVZEXSMANO-UHFFFAOYSA-N -2 3 389.216 2.591 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000567375086 564369210 /nfs/dbraw/zinc/36/92/10/564369210.db2.gz WPDNFAKVVIMWQU-VIFPVBQESA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C1CCCCC1 ZINC000567809972 564389906 /nfs/dbraw/zinc/38/99/06/564389906.db2.gz HNUIEHUBCUSOBB-GFCCVEGCSA-N -2 3 380.388 2.802 20 0 GFADHL C[C@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000512195592 564395002 /nfs/dbraw/zinc/39/50/02/564395002.db2.gz ZHNCFTMAGSPOEU-STQMWFEESA-N -2 3 392.518 2.692 20 0 GFADHL CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n1 ZINC000568745628 564433240 /nfs/dbraw/zinc/43/32/40/564433240.db2.gz GGWVYRRFQFLVIA-UHFFFAOYSA-N -2 3 386.470 2.685 20 0 GFADHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc(Cl)c1F ZINC000480211463 564463924 /nfs/dbraw/zinc/46/39/24/564463924.db2.gz UDWTZPXRCCLJEC-UHFFFAOYSA-N -2 3 389.788 2.781 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2ccc(F)cc2)C(=O)[O-])sc1Cl ZINC000515530092 564482192 /nfs/dbraw/zinc/48/21/92/564482192.db2.gz LAVKSMRZKVXSJV-LLVKDONJSA-N -2 3 377.846 2.823 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](Cc3ccco3)C(=O)[O-])s2)cs1 ZINC000547561616 564494362 /nfs/dbraw/zinc/49/43/62/564494362.db2.gz CZJWPPITSPZISZ-LLVKDONJSA-N -2 3 398.487 2.747 20 0 GFADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000547598729 564500913 /nfs/dbraw/zinc/50/09/13/564500913.db2.gz LWCYSJYGPXDTPW-AWEZNQCLSA-N -2 3 385.873 2.687 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)ccc1[O-] ZINC000481464309 564513257 /nfs/dbraw/zinc/51/32/57/564513257.db2.gz HACMKUSTSRNSDK-UHFFFAOYSA-N -2 3 383.857 2.871 20 0 GFADHL COCCOc1ccccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000547870325 564514143 /nfs/dbraw/zinc/51/41/43/564514143.db2.gz OTUXEXFTWLHFLK-UHFFFAOYSA-N -2 3 385.825 2.864 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000570869068 564525426 /nfs/dbraw/zinc/52/54/26/564525426.db2.gz WLXTVHJNQNMGSH-QMMMGPOBSA-N -2 3 386.398 2.636 20 0 GFADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000548197366 564535145 /nfs/dbraw/zinc/53/51/45/564535145.db2.gz RJYDSOILFLSNGM-UHFFFAOYSA-N -2 3 383.809 2.555 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000548197298 564535155 /nfs/dbraw/zinc/53/51/55/564535155.db2.gz LFZROITURSVAET-GFCCVEGCSA-N -2 3 375.855 2.904 20 0 GFADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000548199988 564535646 /nfs/dbraw/zinc/53/56/46/564535646.db2.gz UBXAJSYXZZYDCN-LBPRGKRZSA-N -2 3 388.898 2.635 20 0 GFADHL Cc1nc(CCC[N-]S(=O)(=O)c2cc(F)c(C)cc2F)sc1C(=O)[O-] ZINC000548203054 564535753 /nfs/dbraw/zinc/53/57/53/564535753.db2.gz LPRHVOSIRNXPAE-UHFFFAOYSA-N -2 3 390.433 2.647 20 0 GFADHL O=C([O-])c1csc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n1 ZINC000548209552 564536590 /nfs/dbraw/zinc/53/65/90/564536590.db2.gz LIWCNEWPPXZEJA-UHFFFAOYSA-N -2 3 381.262 2.768 20 0 GFADHL CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)nc1C ZINC000548261677 564544575 /nfs/dbraw/zinc/54/45/75/564544575.db2.gz JLOQHGLUBDPOEM-CYBMUJFWSA-N -2 3 392.264 2.622 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1c(F)cccc1F ZINC000548265768 564545252 /nfs/dbraw/zinc/54/52/52/564545252.db2.gz JJJMPQNBGFBGDX-AWEZNQCLSA-N -2 3 384.385 2.679 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H](C)c1ccc(F)cc1F ZINC000571438394 564551980 /nfs/dbraw/zinc/55/19/80/564551980.db2.gz KFJUPWHRLKNBNJ-MRVPVSSYSA-N -2 3 391.417 2.815 20 0 GFADHL CCc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C(=O)[O-])cc1 ZINC000548529304 564555326 /nfs/dbraw/zinc/55/53/26/564555326.db2.gz LAGSEIXXWPFOIA-ZDUSSCGKSA-N -2 3 388.239 2.709 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c(Cl)c1Cl ZINC000548537307 564556990 /nfs/dbraw/zinc/55/69/90/564556990.db2.gz QSOHHBNRDGFYNQ-UHFFFAOYSA-N -2 3 397.261 2.635 20 0 GFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000548555868 564559385 /nfs/dbraw/zinc/55/93/85/564559385.db2.gz IBKPTKFFQRJRAT-VIFPVBQESA-N -2 3 382.251 2.900 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548591792 564565430 /nfs/dbraw/zinc/56/54/30/564565430.db2.gz ONARZUDZZGRUDL-RYUDHWBXSA-N -2 3 380.388 2.802 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c(Cl)c1 ZINC000548594261 564565543 /nfs/dbraw/zinc/56/55/43/564565543.db2.gz WGEJZXJWIJKKMZ-NSHDSACASA-N -2 3 391.873 2.684 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccsc1 ZINC000548768333 564574069 /nfs/dbraw/zinc/57/40/69/564574069.db2.gz ZAQWCGICZQSZRV-SNVBAGLBSA-N -2 3 399.343 2.890 20 0 GFADHL CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000572757309 564608814 /nfs/dbraw/zinc/60/88/14/564608814.db2.gz JFHUMURAPHMWHK-BJOHPYRUSA-N -2 3 387.841 2.994 20 0 GFADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(Cl)c(F)cc2Cl)s1 ZINC000549931938 564609633 /nfs/dbraw/zinc/60/96/33/564609633.db2.gz MJNCRGTUSOMHMX-UHFFFAOYSA-N -2 3 385.229 2.608 20 0 GFADHL COc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)c(Br)c1[O-] ZINC000521645209 564633293 /nfs/dbraw/zinc/63/32/93/564633293.db2.gz CRMNWZVGQUGIDY-GFCCVEGCSA-N -2 3 381.226 2.864 20 0 GFADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-])C1CC1 ZINC000573545545 564643407 /nfs/dbraw/zinc/64/34/07/564643407.db2.gz RSWHNEOFAJQVMF-JMCQJSRRSA-N -2 3 396.690 2.880 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2cccc3ccccc32)C(=O)[O-])s1 ZINC000551597835 564657393 /nfs/dbraw/zinc/65/73/93/564657393.db2.gz YKHWIYOEDAFTPF-HNNXBMFYSA-N -2 3 376.459 2.579 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000574499894 564676514 /nfs/dbraw/zinc/67/65/14/564676514.db2.gz OWRKJHVSDKZXOL-OLZOCXBDSA-N -2 3 391.287 2.546 20 0 GFADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCCCCC(=O)[O-] ZINC000576598387 564716589 /nfs/dbraw/zinc/71/65/89/564716589.db2.gz KZTVFYZQOLVETL-UHFFFAOYSA-N -2 3 398.250 2.520 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000526060100 564718192 /nfs/dbraw/zinc/71/81/92/564718192.db2.gz WCAKGCIMQNGKHI-NSHDSACASA-N -2 3 378.834 2.657 20 0 GFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000577212819 564728785 /nfs/dbraw/zinc/72/87/85/564728785.db2.gz HOOODZRJCNBQFI-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000527302082 564738280 /nfs/dbraw/zinc/73/82/80/564738280.db2.gz BVFMGNXILSQJAR-VXGBXAGGSA-N -2 3 393.889 2.675 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(SC)cc2)s1 ZINC000579469459 564747961 /nfs/dbraw/zinc/74/79/61/564747961.db2.gz FKSBRRZRTRAQRO-GFCCVEGCSA-N -2 3 386.520 2.922 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)CC(=O)[O-] ZINC000555316856 564789966 /nfs/dbraw/zinc/78/99/66/564789966.db2.gz MFLHEHVPJPPEAL-LLVKDONJSA-N -2 3 375.874 2.908 20 0 GFADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000555954947 564809429 /nfs/dbraw/zinc/80/94/29/564809429.db2.gz ICMJPPDZNXYIBY-LLVKDONJSA-N -2 3 393.303 2.794 20 0 GFADHL CCC(CC)([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000556056415 564811391 /nfs/dbraw/zinc/81/13/91/564811391.db2.gz IKADHKROIUDOKG-UHFFFAOYSA-N -2 3 393.889 2.677 20 0 GFADHL COc1cc(C(=O)NCc2ccc([O-])c(Br)c2)cc(OC)c1[O-] ZINC000493903443 564812731 /nfs/dbraw/zinc/81/27/31/564812731.db2.gz OJWAEUMHZDNLDG-UHFFFAOYSA-N -2 3 382.210 2.808 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000582884655 564866483 /nfs/dbraw/zinc/86/64/83/564866483.db2.gz FJNLJJIDVJBOAW-CYBMUJFWSA-N -2 3 383.853 2.570 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C(F)F ZINC000583717736 564903968 /nfs/dbraw/zinc/90/39/68/564903968.db2.gz DXAOXUDWYBEGJZ-ZCFIWIBFSA-N -2 3 395.733 2.993 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1Cl ZINC000500328389 564950357 /nfs/dbraw/zinc/95/03/57/564950357.db2.gz LNBSZVWJKOKQLU-UHFFFAOYSA-N -2 3 377.752 2.882 20 0 GFADHL CCOC(=O)c1ncc(NC(=O)c2cc(Cl)cc(Br)c2[O-])[n-]1 ZINC000588719663 565138696 /nfs/dbraw/zinc/13/86/96/565138696.db2.gz YZZTVXBUYPRPAU-UHFFFAOYSA-N -2 3 388.605 2.960 20 0 GFADHL CCOC(=O)c1nc(NC(=O)c2cc(Cl)cc(Br)c2[O-])c[n-]1 ZINC000588719663 565138701 /nfs/dbraw/zinc/13/87/01/565138701.db2.gz YZZTVXBUYPRPAU-UHFFFAOYSA-N -2 3 388.605 2.960 20 0 GFADHL O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000621568220 565431384 /nfs/dbraw/zinc/43/13/84/565431384.db2.gz OSXUMFDMECGACK-AWEZNQCLSA-N -2 3 393.237 2.760 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])c(Cl)cc1C)C1CCOCC1 ZINC000647133696 565640124 /nfs/dbraw/zinc/64/01/24/565640124.db2.gz SCLJNNAKNWAVAE-HNNXBMFYSA-N -2 3 391.873 2.530 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1)C(C)C ZINC000647132592 565640783 /nfs/dbraw/zinc/64/07/83/565640783.db2.gz GDOFIQWLUJDNPP-CYBMUJFWSA-N -2 3 394.287 2.868 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br)CC(F)F ZINC000647606266 565664810 /nfs/dbraw/zinc/66/48/10/565664810.db2.gz LRVRJPZNIBDKAN-ZETCQYMHSA-N -2 3 386.214 2.717 20 0 GFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C3CCOCC3)sc21 ZINC000650412611 565817761 /nfs/dbraw/zinc/81/77/61/565817761.db2.gz QECJXJWLIDSIIY-CQSZACIVSA-N -2 3 383.491 2.758 20 0 GFADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000650412798 565817907 /nfs/dbraw/zinc/81/79/07/565817907.db2.gz FIMJZJIGUOZZNK-VXNVDRBHSA-N -2 3 385.747 2.546 20 0 GFADHL CCO[C@@H](CS(=O)(=O)[N-]c1cc(Br)ccc1C(=O)[O-])C1CC1 ZINC000629289118 565835682 /nfs/dbraw/zinc/83/56/82/565835682.db2.gz CQMULVVLCGUPOP-ZDUSSCGKSA-N -2 3 392.271 2.704 20 0 GFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000629303232 565839893 /nfs/dbraw/zinc/83/98/93/565839893.db2.gz JGZXKJJLLVNYIH-SECBINFHSA-N -2 3 385.360 2.516 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@H](C(=O)[O-])CC2)cc1Cl ZINC000630434291 565900948 /nfs/dbraw/zinc/90/09/48/565900948.db2.gz NTKJYVINIQSQHA-KYZUINATSA-N -2 3 382.265 2.924 20 0 GFADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000656168768 566108539 /nfs/dbraw/zinc/10/85/39/566108539.db2.gz KYVFVZZWCNNXOA-GHMZBOCLSA-N -2 3 382.265 2.540 20 0 GFADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-])C1CC1 ZINC000656168211 566108692 /nfs/dbraw/zinc/10/86/92/566108692.db2.gz OQQSXCWHAIYUDF-RYUDHWBXSA-N -2 3 382.265 2.540 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1cc(F)ccc1F ZINC000681566552 566111911 /nfs/dbraw/zinc/11/19/11/566111911.db2.gz FRUXNZZHUGWCRA-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL COc1cc(OC)c([N-]S(=O)(=O)C[C@H](C)CC(F)(F)F)c(C(=O)[O-])c1 ZINC000656510600 566130361 /nfs/dbraw/zinc/13/03/61/566130361.db2.gz QGFHRCSFILBVSN-MRVPVSSYSA-N -2 3 385.360 2.732 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656518739 566133502 /nfs/dbraw/zinc/13/35/02/566133502.db2.gz VWTUBPXABWCFCB-SSDOTTSWSA-N -2 3 382.663 2.634 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-])s2)cs1 ZINC000656723190 566158114 /nfs/dbraw/zinc/15/81/14/566158114.db2.gz BQXRCDYKLWKYQC-CYBMUJFWSA-N -2 3 378.472 2.661 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1cccs1 ZINC000682896781 566174616 /nfs/dbraw/zinc/17/46/16/566174616.db2.gz RXRDPJYUJIOFDV-VIFPVBQESA-N -2 3 380.369 2.656 20 0 GFADHL O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738340977 598951014 /nfs/dbraw/zinc/95/10/14/598951014.db2.gz AEWHWKSSTMQHNV-UHFFFAOYSA-N -2 3 389.412 2.595 20 0 GFADHL O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738340977 598951017 /nfs/dbraw/zinc/95/10/17/598951017.db2.gz AEWHWKSSTMQHNV-UHFFFAOYSA-N -2 3 389.412 2.595 20 0 GFADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c1 ZINC000819833575 607254705 /nfs/dbraw/zinc/25/47/05/607254705.db2.gz HNPUNJBBEFXAGG-UHFFFAOYSA-N -2 3 391.840 2.832 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1C ZINC000737369141 598548530 /nfs/dbraw/zinc/54/85/30/598548530.db2.gz FPRYJZPWLQJAQH-UHFFFAOYSA-N -2 3 395.391 2.886 20 0 GFADHL COc1ccc(-c2nsc([N-]C(=O)c3sccc3-c3nn[n-]n3)n2)cc1 ZINC000737062494 598660614 /nfs/dbraw/zinc/66/06/14/598660614.db2.gz OKMOZJYWYBEOPM-UHFFFAOYSA-N -2 3 385.434 2.708 20 0 GFADHL C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2-c2nnn[n-]2)C1 ZINC000820727725 599299993 /nfs/dbraw/zinc/29/99/93/599299993.db2.gz OEIBZFGMJRAQPW-MXWKQRLJSA-N -2 3 387.465 2.659 20 0 GFADHL C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820727725 599299995 /nfs/dbraw/zinc/29/99/95/599299995.db2.gz OEIBZFGMJRAQPW-MXWKQRLJSA-N -2 3 387.465 2.659 20 0 GFADHL CC(C)n1cc2cc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)ccc2n1 ZINC000820214644 599300769 /nfs/dbraw/zinc/30/07/69/599300769.db2.gz LKCHSYXUGOCTPR-UHFFFAOYSA-N -2 3 383.437 2.598 20 0 GFADHL C[C@H](NC(=O)c1cccc(Br)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820398019 599553371 /nfs/dbraw/zinc/55/33/71/599553371.db2.gz ZLODNJCFQUXIOJ-VIFPVBQESA-N -2 3 388.225 2.826 20 0 GFADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000736331784 599617472 /nfs/dbraw/zinc/61/74/72/599617472.db2.gz KRXIEPVRDQHDRN-CQSZACIVSA-N -2 3 399.476 2.564 20 0 GFADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000736331784 599617474 /nfs/dbraw/zinc/61/74/74/599617474.db2.gz KRXIEPVRDQHDRN-CQSZACIVSA-N -2 3 399.476 2.564 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000740175776 599768406 /nfs/dbraw/zinc/76/84/06/599768406.db2.gz YZTCSPQLOODXOK-UHFFFAOYSA-N -2 3 398.868 2.574 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccc(F)cc3)c2)o1 ZINC000740177992 599777293 /nfs/dbraw/zinc/77/72/93/599777293.db2.gz YVWPERMOBCQWEZ-UHFFFAOYSA-N -2 3 392.364 2.783 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1cccc(F)c1 ZINC000739503012 599978610 /nfs/dbraw/zinc/97/86/10/599978610.db2.gz SARRJHCRXCKRBV-NSHDSACASA-N -2 3 389.807 2.840 20 0 GFADHL O=C([O-])c1cccc(NC(=O)COC(=O)c2cccc(Br)c2[O-])c1 ZINC000739325573 600109675 /nfs/dbraw/zinc/10/96/75/600109675.db2.gz UEKZFXWVLFRPRI-UHFFFAOYSA-N -2 3 394.177 2.648 20 0 GFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000591045877 600169710 /nfs/dbraw/zinc/16/97/10/600169710.db2.gz HIDOVZOHIWAKMV-UHFFFAOYSA-N -2 3 397.412 2.833 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c2cccnc12 ZINC000531145167 600234745 /nfs/dbraw/zinc/23/47/45/600234745.db2.gz RPDHNPBFQZWYJB-UHFFFAOYSA-N -2 3 376.365 2.882 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000736543604 600256359 /nfs/dbraw/zinc/25/63/59/600256359.db2.gz FEWWRDHTLCRPAK-AWEZNQCLSA-N -2 3 390.461 2.719 20 0 GFADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1C ZINC000737820942 600302037 /nfs/dbraw/zinc/30/20/37/600302037.db2.gz KLKZQQRFZMCZPP-UHFFFAOYSA-N -2 3 394.449 2.589 20 0 GFADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1OC ZINC000737866835 600302249 /nfs/dbraw/zinc/30/22/49/600302249.db2.gz FKXPQYFLEXRWBB-UHFFFAOYSA-N -2 3 380.422 2.581 20 0 GFADHL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000042794141 600542480 /nfs/dbraw/zinc/54/24/80/600542480.db2.gz XRXBHDOEBXQKBH-UHFFFAOYSA-N -2 3 378.406 2.543 20 0 GFADHL CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)[O-])c3)cc21 ZINC000737122989 600544692 /nfs/dbraw/zinc/54/46/92/600544692.db2.gz OGQHLOFEFBHYAY-UHFFFAOYSA-N -2 3 376.434 2.577 20 0 GFADHL CCOC(=O)c1sc2[n-]c([C@H](C)SC[C@@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000737156538 600607003 /nfs/dbraw/zinc/60/70/03/600607003.db2.gz KZBJWJIJVVFLFE-APPZFPTMSA-N -2 3 384.479 2.985 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000683925848 600775706 /nfs/dbraw/zinc/77/57/06/600775706.db2.gz YQEYYYYJHFVAHO-LBPRGKRZSA-N -2 3 391.342 2.991 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1N1CCOC1=O ZINC000757656199 600867882 /nfs/dbraw/zinc/86/78/82/600867882.db2.gz OGBIKUHTGMKGOV-UHFFFAOYSA-N -2 3 390.417 2.759 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000525329932 600899489 /nfs/dbraw/zinc/89/94/89/600899489.db2.gz XDKHQQUMHMVHAT-UHFFFAOYSA-N -3 3 393.417 2.556 20 0 GFADHL O=C([O-])c1ccsc1N1CC[C@H]([N-]C(=O)C(F)(F)c2ccc(F)cc2)C1=O ZINC000833337072 601069457 /nfs/dbraw/zinc/06/94/57/601069457.db2.gz YYEUBUKHABQTIN-LBPRGKRZSA-N -2 3 398.362 2.599 20 0 GFADHL Cc1nc(C)c(CCC(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c(=O)[n-]1 ZINC000832995016 601079171 /nfs/dbraw/zinc/07/91/71/601079171.db2.gz VCLOBWNUAYVFOL-UHFFFAOYSA-N -2 3 378.454 2.823 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(F)ccc2Br)cc1C(=O)[O-] ZINC000833026476 601217884 /nfs/dbraw/zinc/21/78/84/601217884.db2.gz DZIHIMXSZSGZQJ-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(-n3cccn3)c2)cc1C(=O)[O-] ZINC000833027617 601224278 /nfs/dbraw/zinc/22/42/78/601224278.db2.gz HYBAYLKQYYDWSV-NSHDSACASA-N -2 3 375.406 2.511 20 0 GFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000760122045 601224748 /nfs/dbraw/zinc/22/47/48/601224748.db2.gz WYNGBTUSMXBQGQ-MADCSZMMSA-N -2 3 398.264 2.558 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000827747295 601384955 /nfs/dbraw/zinc/38/49/55/601384955.db2.gz KYCQTYZCPXLRJZ-GFCCVEGCSA-N -2 3 393.465 2.996 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCCC3)c2)cc1C(=O)[O-] ZINC000833027211 601595480 /nfs/dbraw/zinc/59/54/80/601595480.db2.gz FJGSAOUKPMYTNL-GFCCVEGCSA-N -2 3 378.450 2.926 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c(C(=O)[O-])c1 ZINC000832419541 601830651 /nfs/dbraw/zinc/83/06/51/601830651.db2.gz LDCXHOWDFNTEDL-UHFFFAOYSA-N -2 3 377.418 2.908 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826303880 607532307 /nfs/dbraw/zinc/53/23/07/607532307.db2.gz KHVAVKTWKJYKLI-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826303880 607532308 /nfs/dbraw/zinc/53/23/08/607532308.db2.gz KHVAVKTWKJYKLI-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(Br)c2)c1-c1nnn[n-]1 ZINC000826304073 607533296 /nfs/dbraw/zinc/53/32/96/607533296.db2.gz VAECJGIKEZGUEW-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(Br)c2)c1-c1nn[n-]n1 ZINC000826304073 607533298 /nfs/dbraw/zinc/53/32/98/607533298.db2.gz VAECJGIKEZGUEW-UHFFFAOYSA-N -2 3 394.254 2.738 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1-c1nnn[n-]1 ZINC000826267828 607535738 /nfs/dbraw/zinc/53/57/38/607535738.db2.gz YIENOCMZPJIQGK-UHFFFAOYSA-N -2 3 379.829 2.643 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1-c1nn[n-]n1 ZINC000826267828 607535739 /nfs/dbraw/zinc/53/57/39/607535739.db2.gz YIENOCMZPJIQGK-UHFFFAOYSA-N -2 3 379.829 2.643 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2=CCCCC2)c(Br)o1 ZINC000055313311 602140172 /nfs/dbraw/zinc/14/01/72/602140172.db2.gz UJPVIDWIJFOHDX-UHFFFAOYSA-N -2 3 378.244 2.909 20 0 GFADHL CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313768 602144048 /nfs/dbraw/zinc/14/40/48/602144048.db2.gz KHEUYBQYFLEJGG-RKDXNWHRSA-N -2 3 380.260 2.987 20 0 GFADHL Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)c(C)c1 ZINC000832935146 602147481 /nfs/dbraw/zinc/14/74/81/602147481.db2.gz WROYGBYRTGWWQA-UHFFFAOYSA-N -2 3 388.239 2.836 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C/C=C\c2ccccc2)c(Br)o1 ZINC000833305043 602156280 /nfs/dbraw/zinc/15/62/80/602156280.db2.gz UKKFYZJJVKOFQQ-DAXSKMNVSA-N -2 3 386.223 2.732 20 0 GFADHL O=C([O-])COc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000833258710 604319069 /nfs/dbraw/zinc/31/90/69/604319069.db2.gz WFRKVCUQAFZXNN-UHFFFAOYSA-N -2 3 395.209 2.940 20 0 GFADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(NC(=O)[O-])cc2)c1C ZINC000829869599 604355134 /nfs/dbraw/zinc/35/51/34/604355134.db2.gz BNDCOLIKDIQANF-UHFFFAOYSA-N -2 3 382.394 2.666 20 0 GFADHL CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833428346 605027582 /nfs/dbraw/zinc/02/75/82/605027582.db2.gz YFBRJTAHJKSCMN-SKDRFNHKSA-N -2 3 377.409 2.535 20 0 GFADHL CC(C)(C)[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833422464 605202140 /nfs/dbraw/zinc/20/21/40/605202140.db2.gz DQHLFXVQUIWUHX-AWEZNQCLSA-N -2 3 385.413 2.889 20 0 GFADHL O=C([O-])C1CCC(C(=O)Nc2cc(I)ccc2[O-])CC1 ZINC000833772250 605214833 /nfs/dbraw/zinc/21/48/33/605214833.db2.gz MHGCBMKNXUZHLN-UHFFFAOYSA-N -2 3 389.189 2.826 20 0 GFADHL O=C([O-])NCc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000834247366 605316424 /nfs/dbraw/zinc/31/64/24/605316424.db2.gz QFVDUJCRUJBZKN-UHFFFAOYSA-N -2 3 386.376 2.899 20 0 GFADHL O=C([O-])C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(Br)c1 ZINC000833773085 605763653 /nfs/dbraw/zinc/76/36/53/605763653.db2.gz OYJRRZGQVCMHQL-CYBMUJFWSA-N -2 3 389.209 2.666 20 0 GFADHL O=C([O-])N[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000832752020 605881426 /nfs/dbraw/zinc/88/14/26/605881426.db2.gz JSQWBDUHFGAJCB-CQSZACIVSA-N -2 3 379.210 2.780 20 0 GFADHL O=C([N-]c1nnc(-c2ccccc2)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823383482 606667347 /nfs/dbraw/zinc/66/73/47/606667347.db2.gz SCWPGSUKXAJEOY-UHFFFAOYSA-N -2 3 385.359 2.916 20 0 GFADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823589221 606713042 /nfs/dbraw/zinc/71/30/42/606713042.db2.gz UBPVNCWEJAYIEG-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823589221 606713044 /nfs/dbraw/zinc/71/30/44/606713044.db2.gz UBPVNCWEJAYIEG-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc2sccc2c1 ZINC000822223966 606761367 /nfs/dbraw/zinc/76/13/67/606761367.db2.gz QJLWUNYEZUBVCV-UHFFFAOYSA-N -2 3 399.457 2.509 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc2sccc2c1 ZINC000822223966 606761369 /nfs/dbraw/zinc/76/13/69/606761369.db2.gz QJLWUNYEZUBVCV-UHFFFAOYSA-N -2 3 399.457 2.509 20 0 GFADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822202242 606864925 /nfs/dbraw/zinc/86/49/25/606864925.db2.gz RXQHXSNQJXRUJS-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822202242 606864927 /nfs/dbraw/zinc/86/49/27/606864927.db2.gz RXQHXSNQJXRUJS-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820173320 606865291 /nfs/dbraw/zinc/86/52/91/606865291.db2.gz AASOWKNSNAFDFW-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820173320 606865294 /nfs/dbraw/zinc/86/52/94/606865294.db2.gz AASOWKNSNAFDFW-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000826232879 607835741 /nfs/dbraw/zinc/83/57/41/607835741.db2.gz MBGUJPZGQHGWAR-UHFFFAOYSA-N -2 3 388.815 2.514 20 0 GFADHL Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000826232879 607835742 /nfs/dbraw/zinc/83/57/42/607835742.db2.gz MBGUJPZGQHGWAR-UHFFFAOYSA-N -2 3 388.815 2.514 20 0 GFADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000824025156 607982624 /nfs/dbraw/zinc/98/26/24/607982624.db2.gz VVVHCGINWYDFLK-UHFFFAOYSA-N -2 3 391.840 2.832 20 0 GFADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000824025156 607982625 /nfs/dbraw/zinc/98/26/25/607982625.db2.gz VVVHCGINWYDFLK-UHFFFAOYSA-N -2 3 391.840 2.832 20 0 GFADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826492786 607982971 /nfs/dbraw/zinc/98/29/71/607982971.db2.gz CWEHMNJIEDPAMJ-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826492786 607982972 /nfs/dbraw/zinc/98/29/72/607982972.db2.gz CWEHMNJIEDPAMJ-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825080907 608095488 /nfs/dbraw/zinc/09/54/88/608095488.db2.gz CZCFPAAIDGMLSM-NSHDSACASA-N -2 3 387.469 2.712 20 0 GFADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825080907 608095489 /nfs/dbraw/zinc/09/54/89/608095489.db2.gz CZCFPAAIDGMLSM-NSHDSACASA-N -2 3 387.469 2.712 20 0 GFADHL CCCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000825353500 608490633 /nfs/dbraw/zinc/49/06/33/608490633.db2.gz XXUFTCZCISTMMD-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL CCCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000825353500 608490635 /nfs/dbraw/zinc/49/06/35/608490635.db2.gz XXUFTCZCISTMMD-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000824024607 609529868 /nfs/dbraw/zinc/52/98/68/609529868.db2.gz LWQMVZBVXNTTTI-UHFFFAOYSA-N -2 3 391.840 2.832 20 0 GFADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000824024607 609529869 /nfs/dbraw/zinc/52/98/69/609529869.db2.gz LWQMVZBVXNTTTI-UHFFFAOYSA-N -2 3 391.840 2.832 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000819088662 660246093 /nfs/dbraw/zinc/24/60/93/660246093.db2.gz DCVUDSKZPCSCAA-OIBJUYFYSA-N -2 3 399.694 2.521 20 0 GFADHL CN(C)c1nc2sc(C(=O)[N-]NC(=O)c3ccc(Cl)cc3[O-])cc2s1 ZINC000065089417 654878453 /nfs/dbraw/zinc/87/84/53/654878453.db2.gz XEYJNMCXKAPFML-UHFFFAOYSA-N -2 3 396.881 2.858 20 0 GFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000275264968 655225719 /nfs/dbraw/zinc/22/57/19/655225719.db2.gz MQVFHXLMEWSKMH-MGCOHNPYSA-N -2 3 394.262 2.758 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc(C(=O)[O-])c1Cl ZINC000759094843 655947363 /nfs/dbraw/zinc/94/73/63/655947363.db2.gz NOFBTEQYBHALPE-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL CSCC[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761309650 656010116 /nfs/dbraw/zinc/01/01/16/656010116.db2.gz MUTCQRYXNLOMKO-ZCFIWIBFSA-N -2 3 388.330 2.629 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767734426 656217540 /nfs/dbraw/zinc/21/75/40/656217540.db2.gz CQIPOGDQURILFI-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)O1 ZINC000777952026 656845412 /nfs/dbraw/zinc/84/54/12/656845412.db2.gz RYEYAXLIMLQMOS-VIFPVBQESA-N -2 3 382.265 2.928 20 0 GFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000806634706 659838306 /nfs/dbraw/zinc/83/83/06/659838306.db2.gz KMYALHFLVFXNDU-WPRPVWTQSA-N -2 3 387.351 2.892 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)cc(F)c1Cl ZINC000871802722 662734280 /nfs/dbraw/zinc/73/42/80/662734280.db2.gz MQMYCNGJBBJHRV-YFKPBYRVSA-N -2 3 376.620 2.649 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)cc(F)c1Cl ZINC000871802717 662734288 /nfs/dbraw/zinc/73/42/88/662734288.db2.gz MQMYCNGJBBJHRV-RXMQYKEDSA-N -2 3 376.620 2.649 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCCc2ccco2)s1 ZINC000871987951 662749711 /nfs/dbraw/zinc/74/97/11/662749711.db2.gz CUNDFBZCQGTHNO-UHFFFAOYSA-N -2 3 394.268 2.713 20 0 GFADHL Cc1ccc(Br)c(CS(=O)(=O)[N-]c2n[n-]c(C(F)F)n2)c1 ZINC000903150600 663776112 /nfs/dbraw/zinc/77/61/12/663776112.db2.gz USTHVZJZNNQDQJ-UHFFFAOYSA-N -2 3 381.202 2.755 20 0 GFADHL COC[C@H]([N-]S(=O)(=O)c1c([O-])cccc1OC(F)(F)F)c1ccco1 ZINC000914214553 664386571 /nfs/dbraw/zinc/38/65/71/664386571.db2.gz LDRKKRACUSTSBE-VIFPVBQESA-N -2 3 381.328 2.550 20 0 GFADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057115672 222027808 /nfs/dbraw/zinc/02/78/08/222027808.db2.gz QJBJVJNMAQJGPZ-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL CNC(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1Cl ZINC000436479353 450598835 /nfs/dbraw/zinc/59/88/35/450598835.db2.gz VFRLBECAAQIYJJ-UHFFFAOYSA-N -2 3 375.233 2.859 20 0 GFADHL CCc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)ccc1C ZINC000182434756 552283836 /nfs/dbraw/zinc/28/38/36/552283836.db2.gz BGWIQFTYSDAFDF-UHFFFAOYSA-N -2 3 386.470 2.869 20 0 GFADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CN1C1CC1 ZINC000185104327 552354182 /nfs/dbraw/zinc/35/41/82/552354182.db2.gz GPXAYEWWNBONLV-SCZZXKLOSA-N -2 3 393.292 2.595 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000312500188 563436794 /nfs/dbraw/zinc/43/67/94/563436794.db2.gz KEQKYYUCHGAWMK-GFCCVEGCSA-N -2 3 384.679 2.882 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000297211197 563319415 /nfs/dbraw/zinc/31/94/15/563319415.db2.gz NJQIFMRKNRPCHT-GFCCVEGCSA-N -2 3 393.889 2.535 20 0 GFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000309764331 563434797 /nfs/dbraw/zinc/43/47/97/563434797.db2.gz FPRFHYNYWZNYBO-CABZTGNLSA-N -2 3 376.818 2.560 20 0 GFADHL COc1ccc(CNCc2nc(C)c(C(=O)[O-])s2)c(Br)c1[O-] ZINC000426688886 563455235 /nfs/dbraw/zinc/45/52/35/563455235.db2.gz XRFLUNKOXCNUIB-UHFFFAOYSA-N -2 3 387.255 2.916 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1F ZINC000327971981 563460281 /nfs/dbraw/zinc/46/02/81/563460281.db2.gz XVXADNLIANQOKC-UHFFFAOYSA-N -2 3 387.772 2.749 20 0 GFADHL CCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2Br)cc1C(=O)[O-] ZINC000386022370 563518605 /nfs/dbraw/zinc/51/86/05/563518605.db2.gz HXEHNJCQXWHLON-UHFFFAOYSA-N -2 3 391.218 2.909 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000399427213 563533649 /nfs/dbraw/zinc/53/36/49/563533649.db2.gz GXYLOGDFGKJUHW-QPUJVOFHSA-N -2 3 382.251 2.612 20 0 GFADHL COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1Cl ZINC000431183145 563555629 /nfs/dbraw/zinc/55/56/29/563555629.db2.gz XCCAFCZIATXCHK-UHFFFAOYSA-N -2 3 383.809 2.555 20 0 GFADHL COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1Cl ZINC000431177401 563556012 /nfs/dbraw/zinc/55/60/12/563556012.db2.gz FXEHHXWDLDVRKY-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL CCN=c1[n-]cc(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)s1 ZINC000433087961 563602787 /nfs/dbraw/zinc/60/27/87/563602787.db2.gz FBTONRYKLJCFSY-UHFFFAOYSA-N -2 3 398.311 2.885 20 0 GFADHL CSc1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000436024380 563662766 /nfs/dbraw/zinc/66/27/66/563662766.db2.gz SCKFFADXXIJJOZ-UHFFFAOYSA-N -2 3 386.520 2.889 20 0 GFADHL CCc1cc(=O)[n-]c(SCCOCCSc2nc(CC)cc(=O)[n-]2)n1 ZINC000436206660 563667637 /nfs/dbraw/zinc/66/76/37/563667637.db2.gz GSINZDNDQCXDPT-UHFFFAOYSA-N -2 3 382.511 2.704 20 0 GFADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436479285 563672151 /nfs/dbraw/zinc/67/21/51/563672151.db2.gz UUQSWKZHLAECCJ-UHFFFAOYSA-N -3 3 375.324 2.839 20 0 GFADHL C[S@](=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436479044 563672198 /nfs/dbraw/zinc/67/21/98/563672198.db2.gz TVHQBZDTWVQJIO-QHCPKHFHSA-N -2 3 379.381 2.949 20 0 GFADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1F ZINC000507566504 564232725 /nfs/dbraw/zinc/23/27/25/564232725.db2.gz LLHJNQHTIFYALG-UHFFFAOYSA-N -2 3 386.470 2.658 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c1 ZINC000507606279 564234612 /nfs/dbraw/zinc/23/46/12/564234612.db2.gz YQPBWAWOTXFOIY-SNVBAGLBSA-N -3 3 383.447 2.767 20 0 GFADHL COc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1[N-]S(C)(=O)=O ZINC000508616154 564267655 /nfs/dbraw/zinc/26/76/55/564267655.db2.gz SQXMSOQVVVOIFM-UHFFFAOYSA-N -2 3 384.841 2.607 20 0 GFADHL O=C(COCC(=O)Nc1ccc([O-])c(Cl)c1)Nc1ccc([O-])c(Cl)c1 ZINC000509170744 564284475 /nfs/dbraw/zinc/28/44/75/564284475.db2.gz LVBIPWYNATUNKJ-UHFFFAOYSA-N -2 3 385.203 2.998 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC2(C(C)C)CC2)c(F)c1 ZINC000451303270 564298868 /nfs/dbraw/zinc/29/88/68/564298868.db2.gz MGYFUEQOGZLWSL-UHFFFAOYSA-N -2 3 392.518 2.692 20 0 GFADHL COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1ccc(C)o1 ZINC000566175150 564314253 /nfs/dbraw/zinc/31/42/53/564314253.db2.gz YRVXYGVQBVLXAI-AWEZNQCLSA-N -2 3 387.841 2.996 20 0 GFADHL COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000567796970 564389235 /nfs/dbraw/zinc/38/92/35/564389235.db2.gz KVSDAYLNNMWXNP-NSHDSACASA-N -2 3 385.463 2.693 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)CCCCCC2)no1 ZINC000567802918 564389749 /nfs/dbraw/zinc/38/97/49/564389749.db2.gz CFJLSDGXIDLIMH-UHFFFAOYSA-N -2 3 385.467 2.666 20 0 GFADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000479471409 564441595 /nfs/dbraw/zinc/44/15/95/564441595.db2.gz VARZTPBAGYAQNO-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1cncc(C(=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000515379705 564477394 /nfs/dbraw/zinc/47/73/94/564477394.db2.gz MXZJNIDYLJBWPV-SECBINFHSA-N -2 3 395.384 2.685 20 0 GFADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)(CC(=O)[O-])C1 ZINC000547571313 564495779 /nfs/dbraw/zinc/49/57/79/564495779.db2.gz UVXAOCZGYYUNGN-HZMBPMFUSA-N -2 3 380.388 2.660 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-] ZINC000547608070 564501772 /nfs/dbraw/zinc/50/17/72/564501772.db2.gz IVVAVQXJFNGMKS-CYBMUJFWSA-N -2 3 388.898 2.643 20 0 GFADHL C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000547611126 564502287 /nfs/dbraw/zinc/50/22/87/564502287.db2.gz DKRVIBFNKNREPZ-TVQRCGJNSA-N -2 3 388.239 2.782 20 0 GFADHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000547614839 564503521 /nfs/dbraw/zinc/50/35/21/564503521.db2.gz OWHSKZKUDIAXBZ-CYBMUJFWSA-N -2 3 378.837 2.748 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000547869459 564514284 /nfs/dbraw/zinc/51/42/84/564514284.db2.gz AVKYVEAKXTYHMO-BXKDBHETSA-N -2 3 375.830 2.512 20 0 GFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000547877055 564514989 /nfs/dbraw/zinc/51/49/89/564514989.db2.gz KBTYKEQKZNPYQI-MQMHXKEQSA-N -2 3 380.491 2.979 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1cccnc1 ZINC000547895988 564517495 /nfs/dbraw/zinc/51/74/95/564517495.db2.gz IMIWGCZJBSHMCG-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000570776228 564520968 /nfs/dbraw/zinc/52/09/68/564520968.db2.gz CZFHWAAJTDEYPU-JTQLQIEISA-N -2 3 387.351 2.892 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000547936080 564523354 /nfs/dbraw/zinc/52/33/54/564523354.db2.gz VNKUXYDGHLXIOA-MNOVXSKESA-N -2 3 391.873 2.684 20 0 GFADHL O=C([O-])c1csc(C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000548208233 564536420 /nfs/dbraw/zinc/53/64/20/564536420.db2.gz RYFTVVXUTSKXQO-UHFFFAOYSA-N -2 3 381.262 2.768 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C(C)C)C1 ZINC000571204849 564541120 /nfs/dbraw/zinc/54/11/20/564541120.db2.gz ZXONBBXPYUGUOO-YPMHNXCESA-N -2 3 391.873 2.529 20 0 GFADHL O=C([O-])[C@H](CSCCc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000548265617 564545521 /nfs/dbraw/zinc/54/55/21/564545521.db2.gz FOJQZJNWVZUNQY-HNNXBMFYSA-N -2 3 383.466 2.533 20 0 GFADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000518110592 564547014 /nfs/dbraw/zinc/54/70/14/564547014.db2.gz INKSXXXJDOUWOL-CMPLNLGQSA-N -2 3 380.388 2.802 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1F ZINC000548562209 564560717 /nfs/dbraw/zinc/56/07/17/564560717.db2.gz LARUGUWRXUVELW-CQSZACIVSA-N -2 3 389.807 2.901 20 0 GFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000548580605 564564031 /nfs/dbraw/zinc/56/40/31/564564031.db2.gz VPDXUCKNUCEVNE-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000548587951 564564487 /nfs/dbraw/zinc/56/44/87/564564487.db2.gz DNOLZKAJKKSITQ-LLVKDONJSA-N -2 3 379.818 2.653 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000571828523 564568440 /nfs/dbraw/zinc/56/84/40/564568440.db2.gz BZXXHZQRCVNXFP-CYBMUJFWSA-N -2 3 382.265 2.542 20 0 GFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccc(F)cc1F ZINC000519827577 564592100 /nfs/dbraw/zinc/59/21/00/564592100.db2.gz QSDVDRURTBRXNN-LLVKDONJSA-N -2 3 376.406 2.795 20 0 GFADHL C[C@H](CCC[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551591866 564656136 /nfs/dbraw/zinc/65/61/36/564656136.db2.gz FEUFEMHSJCNIBI-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551241256 564643893 /nfs/dbraw/zinc/64/38/93/564643893.db2.gz HTDZGNJGJHLUAA-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000551245016 564644036 /nfs/dbraw/zinc/64/40/36/564644036.db2.gz PZCYSURAFSDMCB-LLVKDONJSA-N -2 3 377.846 2.905 20 0 GFADHL COC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)CCCC1 ZINC000573738801 564651636 /nfs/dbraw/zinc/65/16/36/564651636.db2.gz XINLQFKJWLLHLW-UHFFFAOYSA-N -2 3 392.271 2.848 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000574561069 564679344 /nfs/dbraw/zinc/67/93/44/564679344.db2.gz NIABNNIUWGPQLK-IUODEOHRSA-N -2 3 381.372 2.739 20 0 GFADHL Cc1nc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c(-c2ccccc2)s1 ZINC000487654109 564694118 /nfs/dbraw/zinc/69/41/18/564694118.db2.gz DHTJNOOKAMPZAL-UHFFFAOYSA-N -2 3 395.491 2.594 20 0 GFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000554531109 564763879 /nfs/dbraw/zinc/76/38/79/564763879.db2.gz KCDOSLMCWSFJDT-SECBINFHSA-N -2 3 387.351 2.892 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000556890025 564844631 /nfs/dbraw/zinc/84/46/31/564844631.db2.gz UDRCDKWKVVMJRN-VIFPVBQESA-N -2 3 382.251 2.676 20 0 GFADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000582907501 564866910 /nfs/dbraw/zinc/86/69/10/564866910.db2.gz IOXWXHPPKVLWRR-UHFFFAOYSA-N -2 3 394.396 2.901 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Oc2ccc(F)cc2)C(=O)[O-])sc1Cl ZINC000530541441 564887206 /nfs/dbraw/zinc/88/72/06/564887206.db2.gz DQTIGFQJGKWUAK-NSHDSACASA-N -2 3 393.845 2.660 20 0 GFADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000558695005 564911262 /nfs/dbraw/zinc/91/12/62/564911262.db2.gz BHUCMSXRBYURTI-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL O=C([O-])[C@@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000560077251 564948693 /nfs/dbraw/zinc/94/86/93/564948693.db2.gz JNSPMZYCZOMQAS-OAHLLOKOSA-N -2 3 389.807 2.983 20 0 GFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000560480962 564964781 /nfs/dbraw/zinc/96/47/81/564964781.db2.gz FGDYWHWCBQHPPF-YPMHNXCESA-N -2 3 393.889 2.675 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(Br)c1 ZINC000535766198 565020164 /nfs/dbraw/zinc/02/01/64/565020164.db2.gz VGVIHMGIKOYPGY-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)c(Br)c1 ZINC000535766198 565020168 /nfs/dbraw/zinc/02/01/68/565020168.db2.gz VGVIHMGIKOYPGY-UHFFFAOYSA-N -2 3 390.186 2.793 20 0 GFADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)(C(=O)[O-])C1(C)C ZINC000562388162 565027440 /nfs/dbraw/zinc/02/74/40/565027440.db2.gz YXZYKIWHLLUDPF-WFASDCNBSA-N -2 3 396.292 2.930 20 0 GFADHL COc1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(Cl)cc1C(=O)[O-] ZINC000504281071 565037041 /nfs/dbraw/zinc/03/70/41/565037041.db2.gz WEDWROGNTMVLAI-UHFFFAOYSA-N -3 3 375.761 2.692 20 0 GFADHL CCO[C@H](CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)C1CCCC1 ZINC000563069531 565054031 /nfs/dbraw/zinc/05/40/31/565054031.db2.gz RRXBHEFKBLDCCN-GFCCVEGCSA-N -2 3 391.511 2.719 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000563069987 565054770 /nfs/dbraw/zinc/05/47/70/565054770.db2.gz RJYTXMIPJPXWAN-RISCZKNCSA-N -2 3 389.788 2.579 20 0 GFADHL CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000592138939 565260488 /nfs/dbraw/zinc/26/04/88/565260488.db2.gz GTBKRCRQAHBQAB-GXSJLCMTSA-N -2 3 379.525 2.798 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)cc1Cl ZINC000663255382 565403973 /nfs/dbraw/zinc/40/39/73/565403973.db2.gz QUTXZHAXSMNZOR-VIFPVBQESA-N -2 3 382.265 2.781 20 0 GFADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1cccc2cccnc21)C(F)(F)F ZINC000663294577 565409074 /nfs/dbraw/zinc/40/90/74/565409074.db2.gz VARVLAIECGYKNR-LLVKDONJSA-N -2 3 376.356 2.556 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)oc1C(=O)[O-] ZINC000663420097 565419566 /nfs/dbraw/zinc/41/95/66/565419566.db2.gz DLONYTNFRVWJJQ-SECBINFHSA-N -2 3 375.349 2.927 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)cc1F ZINC000644629396 565485267 /nfs/dbraw/zinc/48/52/67/565485267.db2.gz BGMQZOVJMKIABD-UHFFFAOYSA-N -2 3 377.315 2.728 20 0 GFADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ncccc2C(F)(F)F)sc1C(=O)[O-] ZINC000646037126 565583533 /nfs/dbraw/zinc/58/35/33/565583533.db2.gz CPAQVKQNMSVUDS-SSDOTTSWSA-N -2 3 395.384 2.603 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])C1CCOCC1 ZINC000647127402 565639021 /nfs/dbraw/zinc/63/90/21/565639021.db2.gz MLEMOERYMVTVKL-AWEZNQCLSA-N -2 3 383.388 2.594 20 0 GFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000650427428 565820129 /nfs/dbraw/zinc/82/01/29/565820129.db2.gz JDAUOEPMFRTYKA-SSDOTTSWSA-N -2 3 382.663 2.634 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000650427350 565820310 /nfs/dbraw/zinc/82/03/10/565820310.db2.gz GXPONAVFZUMRNY-ZETCQYMHSA-N -2 3 382.663 2.634 20 0 GFADHL CCOC1(CS(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])CCOCC1 ZINC000629289985 565836666 /nfs/dbraw/zinc/83/66/66/565836666.db2.gz OXFTXQDCQZDBGZ-UHFFFAOYSA-N -2 3 391.873 2.674 20 0 GFADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000629295420 565837041 /nfs/dbraw/zinc/83/70/41/565837041.db2.gz OGQMGNVJNHTJJU-SECBINFHSA-N -2 3 392.271 2.765 20 0 GFADHL CCCS(=O)(=O)[N-]c1cc(NC(=O)CCCCC(=O)[O-])c(F)cc1F ZINC000655555720 566067781 /nfs/dbraw/zinc/06/77/81/566067781.db2.gz ZWRAJPONPYNKJA-UHFFFAOYSA-N -2 3 378.397 2.700 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000681568009 566113114 /nfs/dbraw/zinc/11/31/14/566113114.db2.gz QHECDXJBDYWJSY-CQSZACIVSA-N -2 3 391.779 2.731 20 0 GFADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c[nH]1 ZINC000681570285 566113161 /nfs/dbraw/zinc/11/31/61/566113161.db2.gz FKSQULHPKXFJDS-GFCCVEGCSA-N -2 3 385.873 2.723 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)CC(=O)[O-] ZINC000656513480 566131562 /nfs/dbraw/zinc/13/15/62/566131562.db2.gz YSRFWVZTEJNTTP-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)s1 ZINC000656716905 566157219 /nfs/dbraw/zinc/15/72/19/566157219.db2.gz HSKIWKIUSQKDCZ-SNVBAGLBSA-N -2 3 387.401 2.615 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(F)cc1C ZINC000656718255 566157908 /nfs/dbraw/zinc/15/79/08/566157908.db2.gz RYEQTXUPLHLHIU-JTQLQIEISA-N -2 3 387.454 2.812 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2OC)c1 ZINC000682875151 566174362 /nfs/dbraw/zinc/17/43/62/566174362.db2.gz GFEVUYJNCPLXNI-UHFFFAOYSA-N -2 3 378.328 2.624 20 0 GFADHL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC000736408949 598437322 /nfs/dbraw/zinc/43/73/22/598437322.db2.gz LFSGPCXEIZDWHW-JTQLQIEISA-N -2 3 390.494 2.639 20 0 GFADHL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)sc2C1 ZINC000736408949 598437323 /nfs/dbraw/zinc/43/73/23/598437323.db2.gz LFSGPCXEIZDWHW-JTQLQIEISA-N -2 3 390.494 2.639 20 0 GFADHL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)sc2C1 ZINC000736413818 598437681 /nfs/dbraw/zinc/43/76/81/598437681.db2.gz ZQXHBCZLPZSAMV-SNVBAGLBSA-N -2 3 390.494 2.639 20 0 GFADHL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC000736413818 598437683 /nfs/dbraw/zinc/43/76/83/598437683.db2.gz ZQXHBCZLPZSAMV-SNVBAGLBSA-N -2 3 390.494 2.639 20 0 GFADHL O=S(=O)([N-]c1nc2cc(Cl)ccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000738338235 598438587 /nfs/dbraw/zinc/43/85/87/598438587.db2.gz DWAFFRWNHXRKHB-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=S(=O)([N-]c1nc2cc(Cl)ccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000738338235 598438589 /nfs/dbraw/zinc/43/85/89/598438589.db2.gz DWAFFRWNHXRKHB-UHFFFAOYSA-N -2 3 392.853 2.931 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2Cl)N2CCCC2)o1 ZINC000740175103 599767041 /nfs/dbraw/zinc/76/70/41/599767041.db2.gz FOEVJQGUODOMFE-CQSZACIVSA-N -2 3 398.868 2.747 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)c(C(=O)[O-])c1 ZINC000110279606 599768149 /nfs/dbraw/zinc/76/81/49/599768149.db2.gz LVLLIPQUNCTFCW-UHFFFAOYSA-N -3 3 393.417 2.574 20 0 GFADHL CSc1ccc([C@@H](CC(=O)[O-])N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000738202566 599850070 /nfs/dbraw/zinc/85/00/70/599850070.db2.gz IACUXPYXQPVZJS-ABPVARSCSA-N -2 3 382.441 2.825 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1 ZINC000442251340 600244517 /nfs/dbraw/zinc/24/45/17/600244517.db2.gz MURSPQNLDPZGJT-QZTJIDSGSA-N -2 3 391.445 2.868 20 0 GFADHL CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)ccc2n1 ZINC000736532270 600244697 /nfs/dbraw/zinc/24/46/97/600244697.db2.gz GIYRDXPKBUDMNR-UHFFFAOYSA-N -2 3 375.406 2.822 20 0 GFADHL C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000577370194 600348713 /nfs/dbraw/zinc/34/87/13/600348713.db2.gz YSQSZISLXIJTRP-SECBINFHSA-N -2 3 377.340 2.906 20 0 GFADHL COC(=O)[C@@H](Sc1nc2nc(C)cc(C(=O)[O-])c2c(=O)[n-]1)c1ccccc1 ZINC000737580234 600379089 /nfs/dbraw/zinc/37/90/89/600379089.db2.gz MJWADKHHYLOADH-ZDUSSCGKSA-N -2 3 385.401 2.743 20 0 GFADHL COc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c1[O-] ZINC000738083111 600487190 /nfs/dbraw/zinc/48/71/90/600487190.db2.gz LBNRSFNQHHJOCJ-INIZCTEOSA-N -2 3 398.415 2.732 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1OC(F)F ZINC000513427338 600492664 /nfs/dbraw/zinc/49/26/64/600492664.db2.gz RLRNUZYMONTDDA-UHFFFAOYSA-N -2 3 387.360 2.861 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCCCC2)c(F)cc1Br ZINC000740086839 600632321 /nfs/dbraw/zinc/63/23/21/600632321.db2.gz AJMDIYFJDYSBNA-UHFFFAOYSA-N -2 3 380.235 2.897 20 0 GFADHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)ccc1C(=O)[O-] ZINC000831328123 600689611 /nfs/dbraw/zinc/68/96/11/600689611.db2.gz RLJXDWXZGYTUAB-UHFFFAOYSA-N -2 3 393.417 2.598 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000683925847 600775701 /nfs/dbraw/zinc/77/57/01/600775701.db2.gz YQEYYYYJHFVAHO-GFCCVEGCSA-N -2 3 391.342 2.991 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000580548309 601217580 /nfs/dbraw/zinc/21/75/80/601217580.db2.gz NPDIZHMEKBHQGX-HOCLYGCPSA-N -2 3 383.397 2.624 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CCc2ccccc2Br)cc1C(=O)[O-] ZINC000833027066 601219183 /nfs/dbraw/zinc/21/91/83/601219183.db2.gz NZWXODNVKCXKMB-UHFFFAOYSA-N -2 3 388.239 2.570 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCOCCc2ccccc2)c1F ZINC000833294320 601231968 /nfs/dbraw/zinc/23/19/68/601231968.db2.gz QNZMELUMNFRZAE-UHFFFAOYSA-N -2 3 399.415 2.591 20 0 GFADHL CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000830109555 601235254 /nfs/dbraw/zinc/23/52/54/601235254.db2.gz DNAFASBUUZFOBN-UHFFFAOYSA-N -2 3 385.388 2.583 20 0 GFADHL COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832546345 601236438 /nfs/dbraw/zinc/23/64/38/601236438.db2.gz XYUIWEMCILVUNF-SNVBAGLBSA-N -2 3 385.388 2.581 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2F)c1F ZINC000833294707 601237700 /nfs/dbraw/zinc/23/77/00/601237700.db2.gz GBRZNVXIMQJHDO-WRWORJQWSA-N -2 3 389.326 2.776 20 0 GFADHL Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832951053 601239679 /nfs/dbraw/zinc/23/96/79/601239679.db2.gz RDGIXFRWTZZNQE-LLVKDONJSA-N -2 3 385.388 2.717 20 0 GFADHL Cn1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1C(=O)[O-] ZINC000433520160 601249835 /nfs/dbraw/zinc/24/98/35/601249835.db2.gz YACNJHLPMXOOPA-UHFFFAOYSA-N -2 3 386.389 2.660 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)c1F ZINC000833293729 601269699 /nfs/dbraw/zinc/26/96/99/601269699.db2.gz GPZAFFFZMJWJFC-ZDUSSCGKSA-N -2 3 399.440 2.972 20 0 GFADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000833014581 601394898 /nfs/dbraw/zinc/39/48/98/601394898.db2.gz SOXACXIIZHEETF-NSHDSACASA-N -2 3 392.264 2.530 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000776575239 601613101 /nfs/dbraw/zinc/61/31/01/601613101.db2.gz OXUFKSJLFYRFNP-SNVBAGLBSA-N -2 3 382.663 2.634 20 0 GFADHL CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C)C(=O)[O-] ZINC000828964915 601749758 /nfs/dbraw/zinc/74/97/58/601749758.db2.gz JKYRXABMOLJCSB-HNNXBMFYSA-N -2 3 394.424 2.528 20 0 GFADHL CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000826805976 602172544 /nfs/dbraw/zinc/17/25/44/602172544.db2.gz BBCQQLZUXJJIMH-HNNXBMFYSA-N -2 3 385.482 2.561 20 0 GFADHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000831375469 602320927 /nfs/dbraw/zinc/32/09/27/602320927.db2.gz ZAJRREAAGVVKHY-UHFFFAOYSA-N -2 3 383.809 2.934 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000431196915 604398734 /nfs/dbraw/zinc/39/87/34/604398734.db2.gz NDWSFVSJAAOGIW-UHFFFAOYSA-N -3 3 389.307 2.903 20 0 GFADHL Cc1nc(C)c(CCC(=O)Nc2cccc(SCCC(=O)[O-])c2)c(=O)[n-]1 ZINC000833754879 604575465 /nfs/dbraw/zinc/57/54/65/604575465.db2.gz NCEFPWCNIYHBHV-UHFFFAOYSA-N -2 3 375.450 2.937 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832919085 604809038 /nfs/dbraw/zinc/80/90/38/604809038.db2.gz WMLNIXXMUHIQRS-UHFFFAOYSA-N -3 3 399.808 2.611 20 0 GFADHL Cc1cc(Cl)ccc1OCCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833744820 605021699 /nfs/dbraw/zinc/02/16/99/605021699.db2.gz QOAJOQPJLTZYCL-UHFFFAOYSA-N -2 3 390.870 2.551 20 0 GFADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000822203281 606163491 /nfs/dbraw/zinc/16/34/91/606163491.db2.gz MFSBMAUYJHQFSS-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821042729 606745828 /nfs/dbraw/zinc/74/58/28/606745828.db2.gz GWKBYWMHCBVYJI-OAHLLOKOSA-N -2 3 393.513 2.665 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821042729 606745830 /nfs/dbraw/zinc/74/58/30/606745830.db2.gz GWKBYWMHCBVYJI-OAHLLOKOSA-N -2 3 393.513 2.665 20 0 GFADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000821589683 606752371 /nfs/dbraw/zinc/75/23/71/606752371.db2.gz YSKVZIYIQGNGSD-UHFFFAOYSA-N -2 3 396.835 2.526 20 0 GFADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820076953 607025213 /nfs/dbraw/zinc/02/52/13/607025213.db2.gz WWDQRKBFJVENTM-UHFFFAOYSA-N -2 3 394.482 2.549 20 0 GFADHL CCCC(=CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)CCC ZINC000825220059 608197365 /nfs/dbraw/zinc/19/73/65/608197365.db2.gz PKWWTPBXDJKLDS-UHFFFAOYSA-N -2 3 377.470 2.507 20 0 GFADHL CCCC(=CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)CCC ZINC000825220059 608197366 /nfs/dbraw/zinc/19/73/66/608197366.db2.gz PKWWTPBXDJKLDS-UHFFFAOYSA-N -2 3 377.470 2.507 20 0 GFADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826451711 609259032 /nfs/dbraw/zinc/25/90/32/609259032.db2.gz SHDSWCOGDARSCF-GFCCVEGCSA-N -2 3 380.191 2.551 20 0 GFADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826451711 609259033 /nfs/dbraw/zinc/25/90/33/609259033.db2.gz SHDSWCOGDARSCF-GFCCVEGCSA-N -2 3 380.191 2.551 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000825631755 609371782 /nfs/dbraw/zinc/37/17/82/609371782.db2.gz FREGRFSDJSDNQS-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000826280382 609423498 /nfs/dbraw/zinc/42/34/98/609423498.db2.gz ZUOSJBRUWFIGBJ-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1F ZINC000824315747 609468589 /nfs/dbraw/zinc/46/85/89/609468589.db2.gz WZGJDONGZYJTBW-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1F ZINC000824315747 609468591 /nfs/dbraw/zinc/46/85/91/609468591.db2.gz WZGJDONGZYJTBW-UHFFFAOYSA-N -2 3 395.391 2.733 20 0 GFADHL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1C ZINC000826167055 609525509 /nfs/dbraw/zinc/52/55/09/609525509.db2.gz NMWUPAFUMWFGBG-UHFFFAOYSA-N -2 3 393.856 2.946 20 0 GFADHL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1C ZINC000826167055 609525512 /nfs/dbraw/zinc/52/55/12/609525512.db2.gz NMWUPAFUMWFGBG-UHFFFAOYSA-N -2 3 393.856 2.946 20 0 GFADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826363450 609528881 /nfs/dbraw/zinc/52/88/81/609528881.db2.gz MXEREWLSQVNWEJ-UHFFFAOYSA-N -2 3 388.840 2.813 20 0 GFADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826363450 609528883 /nfs/dbraw/zinc/52/88/83/609528883.db2.gz MXEREWLSQVNWEJ-UHFFFAOYSA-N -2 3 388.840 2.813 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCCC2(O)CCC2)c1 ZINC000817572908 660200713 /nfs/dbraw/zinc/20/07/13/660200713.db2.gz FBTJYZFODOYERM-UHFFFAOYSA-N -2 3 382.265 2.665 20 0 GFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000821089425 660315248 /nfs/dbraw/zinc/31/52/48/660315248.db2.gz HYBXAPCOZPKHGW-UHFFFAOYSA-N -2 3 377.205 2.681 20 0 GFADHL CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000124299594 654774137 /nfs/dbraw/zinc/77/41/37/654774137.db2.gz RDVYSMOXEKNMNP-JTQLQIEISA-N -2 3 380.260 2.987 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1Cl ZINC000060318294 654827393 /nfs/dbraw/zinc/82/73/93/654827393.db2.gz XXNGNVWBFLQHGZ-UHFFFAOYSA-N -2 3 377.752 2.882 20 0 GFADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCCCC(=O)[O-] ZINC000274972522 655209459 /nfs/dbraw/zinc/20/94/59/655209459.db2.gz WLTLFOMNBHWRQE-UHFFFAOYSA-N -2 3 398.250 2.520 20 0 GFADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)(C(=O)[O-])C1(C)C ZINC000276655545 655282489 /nfs/dbraw/zinc/28/24/89/655282489.db2.gz YEWBNMKKRBBIKD-OTYXRUKQSA-N -2 3 381.903 2.647 20 0 GFADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(F)cc1F ZINC000729664722 655566587 /nfs/dbraw/zinc/56/65/87/655566587.db2.gz BIBUARHQDVQIAL-UHFFFAOYSA-N -2 3 390.389 2.792 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC2CCOCC2)C(=O)[O-])c1Cl ZINC000776597928 656764453 /nfs/dbraw/zinc/76/44/53/656764453.db2.gz AGIDZAQWTSLIBU-GFCCVEGCSA-N -2 3 396.292 2.850 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776624731 656769456 /nfs/dbraw/zinc/76/94/56/656769456.db2.gz DJGAHXLUZCRSSJ-LBPRGKRZSA-N -2 3 393.223 2.502 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c(Br)o1 ZINC000786035631 657401740 /nfs/dbraw/zinc/40/17/40/657401740.db2.gz FWVAXTWJVQVUBA-UHFFFAOYSA-N -2 3 399.222 2.700 20 0 GFADHL COCC1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CC1 ZINC000843288861 661376080 /nfs/dbraw/zinc/37/60/80/661376080.db2.gz PEYVOOJFBHLNSA-UHFFFAOYSA-N -2 3 382.265 2.787 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)[O-] ZINC000047949007 551154722 /nfs/dbraw/zinc/15/47/22/551154722.db2.gz DWUBWCBDSOKDDK-UHFFFAOYSA-N -2 3 386.223 2.957 20 0 GFADHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135326542 551387058 /nfs/dbraw/zinc/38/70/58/551387058.db2.gz CRXMNFFOVBACFZ-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)CC(=O)[O-] ZINC000147393362 551398034 /nfs/dbraw/zinc/39/80/34/551398034.db2.gz XCAHGMFQDMIPIH-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)sc1Br ZINC000165355281 551628987 /nfs/dbraw/zinc/62/89/87/551628987.db2.gz SKJJOSQEULDSHN-UHFFFAOYSA-N -2 3 382.301 2.742 20 0 GFADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)ccc1F ZINC000171262766 551651488 /nfs/dbraw/zinc/65/14/88/551651488.db2.gz PIHSIHFXHUNKPJ-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000234099844 553067127 /nfs/dbraw/zinc/06/71/27/553067127.db2.gz FKYWCWPFVIEDMS-GFCCVEGCSA-N -2 3 384.679 2.882 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)cc1Cl ZINC000262425923 553170984 /nfs/dbraw/zinc/17/09/84/553170984.db2.gz NTKJYVINIQSQHA-UHFFFAOYSA-N -2 3 382.265 2.924 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)CCCCF ZINC000295915345 563267506 /nfs/dbraw/zinc/26/75/06/563267506.db2.gz JGBNJQRDVJBNBK-UHFFFAOYSA-N -2 3 392.396 2.568 20 0 GFADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000297232079 563320215 /nfs/dbraw/zinc/32/02/15/563320215.db2.gz PATGKPQDKPBYKN-WDEREUQCSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)CC1CC1 ZINC000405211798 563538130 /nfs/dbraw/zinc/53/81/30/563538130.db2.gz IKLKUHIIKANFFE-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1OCC(=O)[O-] ZINC000431165463 563555301 /nfs/dbraw/zinc/55/53/01/563555301.db2.gz FAQYFUFFZMZXNC-UHFFFAOYSA-N -2 3 375.324 2.677 20 0 GFADHL CCc1cc(=O)[n-]c(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[n-]2)n1 ZINC000436195749 563667714 /nfs/dbraw/zinc/66/77/14/563667714.db2.gz FHJXEPICGRQGKK-UHFFFAOYSA-N -2 3 376.463 2.846 20 0 GFADHL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436479043 563671862 /nfs/dbraw/zinc/67/18/62/563671862.db2.gz TVHQBZDTWVQJIO-HSZRJFAPSA-N -2 3 379.381 2.949 20 0 GFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000437000963 563688405 /nfs/dbraw/zinc/68/84/05/563688405.db2.gz UTHWSGWNQUPTSA-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)CCCC1 ZINC000290485211 563711471 /nfs/dbraw/zinc/71/14/71/563711471.db2.gz GNBYHRJPPFHKJV-UHFFFAOYSA-N -2 3 375.830 2.513 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)c1 ZINC000472360269 564222042 /nfs/dbraw/zinc/22/20/42/564222042.db2.gz JICVRLGGNASJNN-UHFFFAOYSA-N -2 3 377.390 2.569 20 0 GFADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)ccc1F ZINC000507562529 564232310 /nfs/dbraw/zinc/23/23/10/564232310.db2.gz DMEKCGBEXCOAAV-UHFFFAOYSA-N -2 3 398.890 2.558 20 0 GFADHL O=C([O-])c1cc(F)c(Br)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000451077930 564270667 /nfs/dbraw/zinc/27/06/67/564270667.db2.gz LKYHCKITUJTECY-MRVPVSSYSA-N -2 3 396.234 2.597 20 0 GFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000566655946 564336455 /nfs/dbraw/zinc/33/64/55/564336455.db2.gz OKAINZPOTNEELJ-PWSUYJOCSA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000476386765 564337179 /nfs/dbraw/zinc/33/71/79/564337179.db2.gz QQXCMVNOWGWXNV-UHFFFAOYSA-N -3 3 391.735 2.815 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[N-]c2cnns2)cc1 ZINC000477084781 564363756 /nfs/dbraw/zinc/36/37/56/564363756.db2.gz GOOFQGGHZGWETG-UHFFFAOYSA-N -2 3 380.476 2.961 20 0 GFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000567442433 564371606 /nfs/dbraw/zinc/37/16/06/564371606.db2.gz IQWBLDLYSWHSHB-SECBINFHSA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CCC1 ZINC000515051698 564466559 /nfs/dbraw/zinc/46/65/59/564466559.db2.gz AOFRMTYZNGIOHQ-LLVKDONJSA-N -2 3 382.663 2.634 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000516252617 564497662 /nfs/dbraw/zinc/49/76/62/564497662.db2.gz IKTRTLJEHRLCNQ-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(Cl)cccc2Cl)s1 ZINC000547584540 564497984 /nfs/dbraw/zinc/49/79/84/564497984.db2.gz HUWWMRKHAQPWCH-NSHDSACASA-N -2 3 381.262 2.863 20 0 GFADHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c1ccccc1 ZINC000547614840 564503438 /nfs/dbraw/zinc/50/34/38/564503438.db2.gz OWHSKZKUDIAXBZ-ZDUSSCGKSA-N -2 3 378.837 2.748 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Br ZINC000481455667 564512688 /nfs/dbraw/zinc/51/26/88/564512688.db2.gz WPVFAYQIIGNTHT-UHFFFAOYSA-N -3 3 386.223 2.962 20 0 GFADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)(C(=O)[O-])C1(C)C ZINC000548028173 564528191 /nfs/dbraw/zinc/52/81/91/564528191.db2.gz PUKFMKULTMVVER-CZUORRHYSA-N -2 3 393.864 2.724 20 0 GFADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCSC1 ZINC000517736082 564541284 /nfs/dbraw/zinc/54/12/84/564541284.db2.gz GJZWIDMZOIYJGU-CYBMUJFWSA-N -2 3 377.896 2.793 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])c(Cl)c1Cl ZINC000548540879 564557044 /nfs/dbraw/zinc/55/70/44/564557044.db2.gz DOXZJOUHIGPTTA-HZMBPMFUSA-N -2 3 382.265 2.924 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)Cc1ccccn1 ZINC000548537186 564557518 /nfs/dbraw/zinc/55/75/18/564557518.db2.gz MOVCTHCABQFKAS-SNVBAGLBSA-N -2 3 389.260 2.610 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)c(Cl)c1Cl ZINC000548866353 564578640 /nfs/dbraw/zinc/57/86/40/564578640.db2.gz ALABSILYDBPGOF-FUXBKTLASA-N -2 3 382.265 2.780 20 0 GFADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000484578075 564591214 /nfs/dbraw/zinc/59/12/14/564591214.db2.gz VQUUJUNHNSPNON-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Cl ZINC000572498137 564598038 /nfs/dbraw/zinc/59/80/38/564598038.db2.gz KRDAEZJCNROEQE-GXSJLCMTSA-N -2 3 387.866 2.943 20 0 GFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000572834918 564612077 /nfs/dbraw/zinc/61/20/77/564612077.db2.gz HWTAFIXNYVRMLO-PELKAZGASA-N -2 3 382.251 2.612 20 0 GFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000573211410 564628500 /nfs/dbraw/zinc/62/85/00/564628500.db2.gz OZDTVZJHGYUWNT-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000551586599 564656438 /nfs/dbraw/zinc/65/64/38/564656438.db2.gz GVUVITVVMCMVGM-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL COc1cc([N-]S(=O)(=O)CCC(C)C)c(C(=O)[O-])cc1Br ZINC000551915555 564668784 /nfs/dbraw/zinc/66/87/84/564668784.db2.gz LMEJSOMUVJINCQ-UHFFFAOYSA-N -2 3 380.260 2.944 20 0 GFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000527301105 564738262 /nfs/dbraw/zinc/73/82/62/564738262.db2.gz HLCKRHHAFDAVSG-MEDUHNTESA-N -2 3 393.889 2.533 20 0 GFADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cc(Cl)c([O-])cc1F ZINC000554038323 564748499 /nfs/dbraw/zinc/74/84/99/564748499.db2.gz PTHWVENDAPOSJC-UHFFFAOYSA-N -2 3 399.252 2.817 20 0 GFADHL COc1ccc(OCCS(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1 ZINC000460830775 564781930 /nfs/dbraw/zinc/78/19/30/564781930.db2.gz SOZYRFLXNIXTJZ-UHFFFAOYSA-N -2 3 385.825 2.868 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)CCC1 ZINC000461345519 564794474 /nfs/dbraw/zinc/79/44/74/564794474.db2.gz CIKLGYYWAPXVNU-UHFFFAOYSA-N -2 3 396.248 2.777 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](Cc1ccccc1)C(=O)[O-] ZINC000582884656 564866303 /nfs/dbraw/zinc/86/63/03/564866303.db2.gz FJNLJJIDVJBOAW-ZDUSSCGKSA-N -2 3 383.853 2.570 20 0 GFADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000530338126 564876511 /nfs/dbraw/zinc/87/65/11/564876511.db2.gz WBYNRUUPHBYRMF-LBPRGKRZSA-N -2 3 384.410 2.749 20 0 GFADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000559797986 564940347 /nfs/dbraw/zinc/94/03/47/564940347.db2.gz XTDRVDJQGKFBQD-NSHDSACASA-N -2 3 393.303 2.794 20 0 GFADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-])C1CC1 ZINC000584666894 565090240 /nfs/dbraw/zinc/09/02/40/565090240.db2.gz NYIJTXUODPNTNC-JVXZTZIISA-N -2 3 396.690 2.880 20 0 GFADHL O=C(Nc1cc(I)ccc1[O-])C(=O)c1ccc([O-])cc1 ZINC000588351934 565133190 /nfs/dbraw/zinc/13/31/90/565133190.db2.gz RRGBTAXOTNWLAK-UHFFFAOYSA-N -2 3 383.141 2.524 20 0 GFADHL Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000615884070 565180059 /nfs/dbraw/zinc/18/00/59/565180059.db2.gz XCCUSFKKXLKAKI-UHFFFAOYSA-N -2 3 395.491 2.594 20 0 GFADHL CCCS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2cccs2)c(F)cc1F ZINC000591044900 565213276 /nfs/dbraw/zinc/21/32/76/565213276.db2.gz YHANGMVKFAKIOO-UHFFFAOYSA-N -2 3 396.462 2.979 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C2CC2)c(F)c1 ZINC000660044275 565242973 /nfs/dbraw/zinc/24/29/73/565242973.db2.gz OSWRFQDABDETBH-INIZCTEOSA-N -2 3 392.518 2.690 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000663293170 565407824 /nfs/dbraw/zinc/40/78/24/565407824.db2.gz BRWVSNXMGCDWNF-MRVPVSSYSA-N -2 3 389.779 2.670 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)c1 ZINC000663294758 565408867 /nfs/dbraw/zinc/40/88/67/565408867.db2.gz ZSCBHMMQKFKYJV-QMMMGPOBSA-N -2 3 389.779 2.670 20 0 GFADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1)C(C)C ZINC000647129087 565638881 /nfs/dbraw/zinc/63/88/81/565638881.db2.gz BKYVGZGLRBZDEH-GFCCVEGCSA-N -2 3 380.260 2.560 20 0 GFADHL O=C([O-])c1cnc(C=Cc2cc(Br)c3c(c2)OCCCO3)[n-]c1=O ZINC000670370113 565719924 /nfs/dbraw/zinc/71/99/24/565719924.db2.gz ZMVQYXFCEUBIBO-IHWYPQMZSA-N -2 3 393.193 2.975 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)CC1CC1 ZINC000650429943 565819938 /nfs/dbraw/zinc/81/99/38/565819938.db2.gz AGYPJKWVDILURR-VIFPVBQESA-N -2 3 396.690 2.882 20 0 GFADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCCCCC(=O)[O-] ZINC000629292384 565835794 /nfs/dbraw/zinc/83/57/94/565835794.db2.gz KCONZSYYZUIPNI-UHFFFAOYSA-N -2 3 385.360 2.517 20 0 GFADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1 ZINC000629297676 565838297 /nfs/dbraw/zinc/83/82/97/565838297.db2.gz XXLWFVXQAOMERM-UHFFFAOYSA-N -2 3 394.262 2.818 20 0 GFADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000681578953 566114510 /nfs/dbraw/zinc/11/45/10/566114510.db2.gz JQFWATBMUHJPFK-NSHDSACASA-N -2 3 382.265 2.711 20 0 GFADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737180523 598845213 /nfs/dbraw/zinc/84/52/13/598845213.db2.gz BGCIRDNLIOGXDH-UHFFFAOYSA-N -2 3 393.469 2.712 20 0 GFADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737180523 598845214 /nfs/dbraw/zinc/84/52/14/598845214.db2.gz BGCIRDNLIOGXDH-UHFFFAOYSA-N -2 3 393.469 2.712 20 0 GFADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738341731 598951097 /nfs/dbraw/zinc/95/10/97/598951097.db2.gz KUGXIFJWGMVAHK-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738341731 598951098 /nfs/dbraw/zinc/95/10/98/598951098.db2.gz KUGXIFJWGMVAHK-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL Cc1sc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c(-c2nnn[n-]2)c1C ZINC000737561557 598369593 /nfs/dbraw/zinc/36/95/93/598369593.db2.gz IWHKEJNAYUSQMF-UHFFFAOYSA-N -2 3 397.460 2.743 20 0 GFADHL Cc1sc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c(-c2nn[n-]n2)c1C ZINC000737561557 598369594 /nfs/dbraw/zinc/36/95/94/598369594.db2.gz IWHKEJNAYUSQMF-UHFFFAOYSA-N -2 3 397.460 2.743 20 0 GFADHL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823387510 599300744 /nfs/dbraw/zinc/30/07/44/599300744.db2.gz NHAPRZPAEVRFGW-MNOVXSKESA-N -2 3 387.465 2.803 20 0 GFADHL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823387510 599300747 /nfs/dbraw/zinc/30/07/47/599300747.db2.gz NHAPRZPAEVRFGW-MNOVXSKESA-N -2 3 387.465 2.803 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000736489342 599315934 /nfs/dbraw/zinc/31/59/34/599315934.db2.gz YCWIEWPLCXHDON-UHFFFAOYSA-N -2 3 394.407 2.768 20 0 GFADHL COc1ccc(-c2nc(SCCCSC)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821731574 599381869 /nfs/dbraw/zinc/38/18/69/599381869.db2.gz DYIQVSZGKDQUQU-UHFFFAOYSA-N -2 3 390.494 2.883 20 0 GFADHL O=S(=O)([N-]c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000738341058 599561298 /nfs/dbraw/zinc/56/12/98/599561298.db2.gz DAJUKLRAQLULQB-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2cncn2)c(Cl)c1 ZINC000738277123 599907789 /nfs/dbraw/zinc/90/77/89/599907789.db2.gz GCFLBDZMPYEEKJ-UHFFFAOYSA-N -2 3 392.824 2.728 20 0 GFADHL Cc1[nH]c(C(=O)COC(=O)c2cccc(Br)c2[O-])c(C)c1C(=O)[O-] ZINC000738153657 600109466 /nfs/dbraw/zinc/10/94/66/600109466.db2.gz ACVRBPSKTGVRNJ-UHFFFAOYSA-N -2 3 396.193 2.838 20 0 GFADHL Cc1ccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000738616147 600159673 /nfs/dbraw/zinc/15/96/73/600159673.db2.gz PKNZHONWERVHPE-QWHCGFSZSA-N -2 3 392.408 2.594 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000738163481 600315228 /nfs/dbraw/zinc/31/52/28/600315228.db2.gz FXAYSRBNHPGENF-CQSZACIVSA-N -2 3 383.809 2.694 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)c1C(=O)[O-] ZINC000738744785 600396693 /nfs/dbraw/zinc/39/66/93/600396693.db2.gz NXCHIMZICYTOER-AWEZNQCLSA-N -2 3 390.461 2.719 20 0 GFADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000737267108 600535987 /nfs/dbraw/zinc/53/59/87/600535987.db2.gz UBPLLGRVYUUXRM-UHFFFAOYSA-N -3 3 393.417 2.602 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2)c(F)cc1Br ZINC000740086954 600632297 /nfs/dbraw/zinc/63/22/97/600632297.db2.gz DNGLJBIQUUMCMB-UHFFFAOYSA-N -2 3 388.214 2.765 20 0 GFADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(=O)[O-])cc3)cc(Cl)c2O1 ZINC000736824541 600635304 /nfs/dbraw/zinc/63/53/04/600635304.db2.gz BKOZKPZTJDDNTA-SNVBAGLBSA-N -2 3 397.836 2.928 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC000583002068 600777207 /nfs/dbraw/zinc/77/72/07/600777207.db2.gz WFIQOTVNWIWWMT-OAHLLOKOSA-N -2 3 388.470 2.957 20 0 GFADHL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000507966792 600894145 /nfs/dbraw/zinc/89/41/45/600894145.db2.gz RKUGIPDGBQXFRO-UHFFFAOYSA-N -2 3 377.418 2.600 20 0 GFADHL CCOc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1OCC ZINC000563075942 601214299 /nfs/dbraw/zinc/21/42/99/601214299.db2.gz DVFYEMKZWNKFSQ-UHFFFAOYSA-N -2 3 397.449 2.605 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(N3CCCCCC3)nc2)cc1C(=O)[O-] ZINC000833027815 601217224 /nfs/dbraw/zinc/21/72/24/601217224.db2.gz XWFRTVUIJBQILU-UHFFFAOYSA-N -2 3 393.465 2.540 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)nc2)cc1C(=O)[O-] ZINC000833027819 601220212 /nfs/dbraw/zinc/22/02/12/601220212.db2.gz XZUUKVGISLZLJQ-UHFFFAOYSA-N -2 3 388.401 2.952 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000827754733 601256296 /nfs/dbraw/zinc/25/62/96/601256296.db2.gz LQHKNHVBRIHHKT-ZJRUKIMVSA-N -2 3 379.438 2.504 20 0 GFADHL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)ccc1=O ZINC000324151601 601324560 /nfs/dbraw/zinc/32/45/60/601324560.db2.gz AJMVFKWXKKCHJZ-UHFFFAOYSA-N -2 3 391.232 2.674 20 0 GFADHL C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000265649539 601332021 /nfs/dbraw/zinc/33/20/21/601332021.db2.gz TYJTZBRIEHIMJB-GFCCVEGCSA-N -2 3 394.424 2.550 20 0 GFADHL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C(=O)[O-])c3)cc2C[C@@H]1C ZINC000266553840 601333423 /nfs/dbraw/zinc/33/34/23/601333423.db2.gz IOHGNQJPAGGDAQ-LBPRGKRZSA-N -2 3 388.445 2.792 20 0 GFADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000831077829 601387898 /nfs/dbraw/zinc/38/78/98/601387898.db2.gz CMRKVGCJZFLBLR-OAHLLOKOSA-N -2 3 397.836 2.539 20 0 GFADHL CCCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000829339937 601404146 /nfs/dbraw/zinc/40/41/46/601404146.db2.gz LUHHFYFJYPKDNZ-LBPRGKRZSA-N -2 3 394.852 2.749 20 0 GFADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000825912615 601475031 /nfs/dbraw/zinc/47/50/31/601475031.db2.gz AGOPZMCKRGJJFF-UHFFFAOYSA-N -2 3 398.824 2.563 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CCc2csc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000833027596 601566825 /nfs/dbraw/zinc/56/68/25/601566825.db2.gz WNFWTLSFLFPAPV-UHFFFAOYSA-N -2 3 392.458 2.931 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1C(=O)[O-] ZINC000833028716 601800411 /nfs/dbraw/zinc/80/04/11/601800411.db2.gz PAAILTUNGWIIOI-LLVKDONJSA-N -2 3 389.433 2.820 20 0 GFADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C(=O)[O-])cc2F)c1 ZINC000466331536 601857406 /nfs/dbraw/zinc/85/74/06/601857406.db2.gz SWMYCGYPMCPFAL-UHFFFAOYSA-N -2 3 393.371 2.958 20 0 GFADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000833295491 601860456 /nfs/dbraw/zinc/86/04/56/601860456.db2.gz YOIAJLDQBCWNPW-UHFFFAOYSA-N -2 3 396.371 2.591 20 0 GFADHL O=C([O-])N1CCC(C(=O)Nc2n[n-]c(-c3ccccn3)n2)(c2ccccc2)CC1 ZINC000740495362 601893171 /nfs/dbraw/zinc/89/31/71/601893171.db2.gz ASDHWIPILSFAIR-UHFFFAOYSA-N -2 3 392.419 2.517 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCN(C(=O)[O-])C2)c1Cl ZINC000740134061 601989933 /nfs/dbraw/zinc/98/99/33/601989933.db2.gz VJKFIQLMORLLCK-SNVBAGLBSA-N -2 3 381.281 2.970 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCCNC(=O)[O-])cc2)cc1 ZINC000738654718 602018969 /nfs/dbraw/zinc/01/89/69/602018969.db2.gz GPEOHWCLOFJCRS-UHFFFAOYSA-N -2 3 391.449 2.782 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000314980996 602141253 /nfs/dbraw/zinc/14/12/53/602141253.db2.gz GVBTVJHXZBSVGX-SECBINFHSA-N -2 3 388.239 2.822 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCC2CCCC2)c(Br)o1 ZINC000184921190 602142742 /nfs/dbraw/zinc/14/27/42/602142742.db2.gz ONERHISWOBMPAK-UHFFFAOYSA-N -2 3 380.260 2.989 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1noc(-c2ccccc2)n1 ZINC000827746898 602172573 /nfs/dbraw/zinc/17/25/73/602172573.db2.gz HKKXVFOKHCFBRM-VIFPVBQESA-N -2 3 379.419 2.536 20 0 GFADHL CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC3(CC(=O)[O-])CC3)n2)cc1 ZINC000830229349 602172698 /nfs/dbraw/zinc/17/26/98/602172698.db2.gz QCHWCRFDGKWADR-LBPRGKRZSA-N -2 3 393.465 2.534 20 0 GFADHL Cc1nc(C)c(CCC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c(=O)[n-]1 ZINC000832994115 602258800 /nfs/dbraw/zinc/25/88/00/602258800.db2.gz BLYVTIDYUZFWCU-UHFFFAOYSA-N -2 3 395.415 2.987 20 0 GFADHL Cc1ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000832942733 602266691 /nfs/dbraw/zinc/26/66/91/602266691.db2.gz KELBNDREMQYBAA-LBPRGKRZSA-N -2 3 394.424 2.984 20 0 GFADHL CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])nc2)n1 ZINC000827557001 604017643 /nfs/dbraw/zinc/01/76/43/604017643.db2.gz OXFZGUCTFATJTD-BXUZGUMPSA-N -2 3 387.440 2.722 20 0 GFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000262420214 604484705 /nfs/dbraw/zinc/48/47/05/604484705.db2.gz AWZMNHNXNQKKRD-VIFPVBQESA-N -2 3 382.251 2.613 20 0 GFADHL O=C([O-])c1cccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000821442375 604539573 /nfs/dbraw/zinc/53/95/73/604539573.db2.gz SYUVERIJGHCOSD-UHFFFAOYSA-N -2 3 379.210 2.852 20 0 GFADHL O=C([O-])C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Br)c1 ZINC000833772615 604785354 /nfs/dbraw/zinc/78/53/54/604785354.db2.gz FLLGUEOJKDJANS-CYBMUJFWSA-N -2 3 380.194 2.806 20 0 GFADHL COc1ccc(C2([N-]S(=O)(=O)c3csnc3C(=O)[O-])CCCC2)cc1 ZINC000577390700 605024441 /nfs/dbraw/zinc/02/44/41/605024441.db2.gz KXZGEKRHLJGSOK-UHFFFAOYSA-N -2 3 382.463 2.598 20 0 GFADHL O=S(=O)([N-]C1(c2ccccc2)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823567614 606885430 /nfs/dbraw/zinc/88/54/30/606885430.db2.gz UARXOKFLCAGWLN-UHFFFAOYSA-N -2 3 391.403 2.503 20 0 GFADHL C[C@H](CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820241145 606887834 /nfs/dbraw/zinc/88/78/34/606887834.db2.gz FBVLFORLMCOIAQ-LLVKDONJSA-N -2 3 393.419 2.617 20 0 GFADHL CCCCCOc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821060660 607025737 /nfs/dbraw/zinc/02/57/37/607025737.db2.gz HFSGFUANFTTZML-UHFFFAOYSA-N -2 3 394.482 2.693 20 0 GFADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sccc1OC ZINC000821128227 607154792 /nfs/dbraw/zinc/15/47/92/607154792.db2.gz RZGILTYNKANXTO-UHFFFAOYSA-N -2 3 394.482 2.560 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)o1 ZINC000826292925 608293480 /nfs/dbraw/zinc/29/34/80/608293480.db2.gz SNNKEPCOPGXTEB-UHFFFAOYSA-N -2 3 398.404 2.756 20 0 GFADHL CC(=O)c1ccc([O-])c(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824025228 609350164 /nfs/dbraw/zinc/35/01/64/609350164.db2.gz XNSHZQIWWQGGOA-UHFFFAOYSA-N -2 3 395.419 2.963 20 0 GFADHL O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[N-]OCCC1CC1 ZINC000817393881 660193690 /nfs/dbraw/zinc/19/36/90/660193690.db2.gz YVHVROXNBVLYRF-UHFFFAOYSA-N -2 3 380.491 2.939 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000135573202 655021085 /nfs/dbraw/zinc/02/10/85/655021085.db2.gz SVDANLJNUHOXEL-PRHODGIISA-N -2 3 382.301 2.822 20 0 GFADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000275261063 655225564 /nfs/dbraw/zinc/22/55/64/655225564.db2.gz MDFSBHMCKLNINV-ZETCQYMHSA-N -2 3 381.706 2.746 20 0 GFADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000176718939 655253639 /nfs/dbraw/zinc/25/36/39/655253639.db2.gz QYRQKAZACGKYPK-UHFFFAOYSA-N -2 3 396.778 2.771 20 0 GFADHL Cc1cc(Br)ccc1S(=O)(=O)[N-][N-]C(=O)NC1CCCCC1 ZINC000185169051 655362974 /nfs/dbraw/zinc/36/29/74/655362974.db2.gz LIPFNZQXHIYQGS-UHFFFAOYSA-N -2 3 390.303 2.583 20 0 GFADHL CC(C)(CCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000574953031 655433635 /nfs/dbraw/zinc/43/36/35/655433635.db2.gz XKOLNADXUIIJEM-UHFFFAOYSA-N -2 3 387.351 2.894 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000576919627 655454641 /nfs/dbraw/zinc/45/46/41/655454641.db2.gz JTNWCTSXJIBMIW-NSHDSACASA-N -2 3 398.428 2.531 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])c(F)cc1Br ZINC000578499134 655480463 /nfs/dbraw/zinc/48/04/63/655480463.db2.gz NLMUZCPASSTNHO-MRVPVSSYSA-N -2 3 382.251 2.676 20 0 GFADHL O=C([O-])C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776612638 656766246 /nfs/dbraw/zinc/76/62/46/656766246.db2.gz ZTZFXMUCFNENCC-LLVKDONJSA-N -2 3 389.260 2.753 20 0 GFADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)(CC(=O)[O-])C1 ZINC000776623688 656769812 /nfs/dbraw/zinc/76/98/12/656769812.db2.gz AACUWAHBXOFTFS-OTYXRUKQSA-N -2 3 381.281 2.948 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)cc(F)c1Cl ZINC000794840184 658623652 /nfs/dbraw/zinc/62/36/52/658623652.db2.gz DARBUVNWBPWLTB-UHFFFAOYSA-N -2 3 375.727 2.798 20 0 GFADHL COCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCC1 ZINC000800723171 659329188 /nfs/dbraw/zinc/32/91/88/659329188.db2.gz JPYDBBXTLKGZAR-UHFFFAOYSA-N -2 3 382.265 2.787 20 0 GFADHL C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869204865 662635205 /nfs/dbraw/zinc/63/52/05/662635205.db2.gz DPFVTIWXSQZTQW-BXKDBHETSA-N -2 3 378.778 2.646 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)cc1F ZINC000899948083 663703429 /nfs/dbraw/zinc/70/34/29/663703429.db2.gz FAKXOSJOJDIFGZ-NOEPWBJOSA-N -2 3 391.461 2.681 20 0 GFADHL CCCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@@H](C)C(=O)[O-] ZINC000911709749 664253973 /nfs/dbraw/zinc/25/39/73/664253973.db2.gz NHUMXZRWYKAWLM-VIFPVBQESA-N -2 3 381.226 2.616 20 0 GFADHL NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000392082088 677409598 /nfs/dbraw/zinc/40/95/98/677409598.db2.gz GNHRPUMTYDZKRW-UHFFFAOYSA-N -2 3 389.216 2.591 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000388771310 563520994 /nfs/dbraw/zinc/52/09/94/563520994.db2.gz GGYYKTAWOHPDKD-TZMCWYRMSA-N -2 3 394.262 2.900 20 0 GFADHL COCCOc1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1OC ZINC000450979548 450599080 /nfs/dbraw/zinc/59/90/80/450599080.db2.gz PYIXGPZQSSBSCB-UHFFFAOYSA-N -2 3 387.841 2.880 20 0 GFADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)CC(=O)[O-] ZINC000234020743 553067457 /nfs/dbraw/zinc/06/74/57/553067457.db2.gz CAVUWEFQACKBRD-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000020302040 551115735 /nfs/dbraw/zinc/11/57/35/551115735.db2.gz LKDRJEYASUPKEB-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1ccc(F)cc1F ZINC000127273782 551339149 /nfs/dbraw/zinc/33/91/49/551339149.db2.gz WEAUZDBVYCTEQE-UHFFFAOYSA-N -2 3 378.194 2.911 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547570533 564496018 /nfs/dbraw/zinc/49/60/18/564496018.db2.gz WOZMEFHLHNYFLR-YPMHNXCESA-N -2 3 380.235 2.510 20 0 GFADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424060852 563368504 /nfs/dbraw/zinc/36/85/04/563368504.db2.gz DNMATQQLQDWODA-UHFFFAOYSA-N -2 3 392.271 2.624 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000317565201 563442947 /nfs/dbraw/zinc/44/29/47/563442947.db2.gz FRZVQHPGVRLMDA-SNVBAGLBSA-N -2 3 394.287 2.627 20 0 GFADHL CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000326788889 563456090 /nfs/dbraw/zinc/45/60/90/563456090.db2.gz QOXSEPCHCQCJJU-UHFFFAOYSA-N -2 3 385.829 2.526 20 0 GFADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1cccc2cccnc21)C(F)(F)F ZINC000284918223 563494838 /nfs/dbraw/zinc/49/48/38/563494838.db2.gz BQKFZHSPSZJQEG-NSHDSACASA-N -2 3 376.356 2.556 20 0 GFADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000392453528 563527030 /nfs/dbraw/zinc/52/70/30/563527030.db2.gz FHMZOFYYNDZWOY-NXEZZACHSA-N -2 3 378.834 2.806 20 0 GFADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000437341532 563693876 /nfs/dbraw/zinc/69/38/76/563693876.db2.gz MTZITQBKPPQUSZ-UHFFFAOYSA-N -2 3 393.487 2.578 20 0 GFADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000438802627 563711171 /nfs/dbraw/zinc/71/11/71/563711171.db2.gz BZCPOWUMCCXCBJ-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL COc1cc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c(Cl)cc1C(=O)[O-] ZINC000414339929 563727727 /nfs/dbraw/zinc/72/77/27/563727727.db2.gz TVANQRNFSNBNKZ-MRVPVSSYSA-N -2 3 383.800 2.761 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1C(=O)[O-] ZINC000541929467 564295420 /nfs/dbraw/zinc/29/54/20/564295420.db2.gz WPGXLWIDPBTRHQ-UHFFFAOYSA-N -2 3 381.303 2.923 20 0 GFADHL CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000566175345 564314736 /nfs/dbraw/zinc/31/47/36/564314736.db2.gz ZSZBIVQVJIVEMX-OLZOCXBDSA-N -2 3 391.486 2.875 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000566185188 564315161 /nfs/dbraw/zinc/31/51/61/564315161.db2.gz XWJXXTNHKVELCP-CYBMUJFWSA-N -2 3 389.836 2.751 20 0 GFADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542840900 564328474 /nfs/dbraw/zinc/32/84/74/564328474.db2.gz DAFJJVKBAIMFTM-JTQLQIEISA-N -2 3 380.235 2.510 20 0 GFADHL C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000547611125 564502330 /nfs/dbraw/zinc/50/23/30/564502330.db2.gz DKRVIBFNKNREPZ-RNCFNFMXSA-N -2 3 388.239 2.782 20 0 GFADHL C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000547616927 564504238 /nfs/dbraw/zinc/50/42/38/564504238.db2.gz FUQKVFIIIROASX-BDJLRTHQSA-N -2 3 378.837 2.952 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)CC(=O)[O-] ZINC000516573610 564505938 /nfs/dbraw/zinc/50/59/38/564505938.db2.gz ANZUNPTWEYEBCB-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Cc1cccnc1 ZINC000547898260 564517560 /nfs/dbraw/zinc/51/75/60/564517560.db2.gz JCOQATGTMUNDND-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL Cc1cc(CS(=O)(=O)[N-][C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)on1 ZINC000547937072 564523856 /nfs/dbraw/zinc/52/38/56/564523856.db2.gz ZMUAXGJLZGLGHO-CYBMUJFWSA-N -2 3 393.248 2.925 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000548203504 564536027 /nfs/dbraw/zinc/53/60/27/564536027.db2.gz IRCHVFYEDJHDCW-UHFFFAOYSA-N -2 3 398.359 2.786 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1ccccc1Cl ZINC000548199866 564536071 /nfs/dbraw/zinc/53/60/71/564536071.db2.gz NQSBUWAVCLPFTM-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000548250446 564543856 /nfs/dbraw/zinc/54/38/56/564543856.db2.gz YFXXIMSDZRALNX-SNVBAGLBSA-N -2 3 389.392 2.719 20 0 GFADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000548357922 564549959 /nfs/dbraw/zinc/54/99/59/564549959.db2.gz KAQJKUNUFSSEKV-WFASDCNBSA-N -2 3 396.292 2.930 20 0 GFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000518383114 564552021 /nfs/dbraw/zinc/55/20/21/564552021.db2.gz HDERFPIQEFIZNG-VIFPVBQESA-N -2 3 384.679 2.738 20 0 GFADHL COc1ccc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C(=O)[O-])cc1F ZINC000548547098 564558782 /nfs/dbraw/zinc/55/87/82/564558782.db2.gz HLRVXVNXSGPCMZ-CYBMUJFWSA-N -2 3 391.779 2.731 20 0 GFADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-])C1CC1 ZINC000548867435 564578395 /nfs/dbraw/zinc/57/83/95/564578395.db2.gz JHGRXGJXGJPISD-WRWORJQWSA-N -2 3 396.690 2.880 20 0 GFADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-])C1CC1 ZINC000548867495 564578451 /nfs/dbraw/zinc/57/84/51/564578451.db2.gz LQTAKDFJLKRBIW-JVXZTZIISA-N -2 3 396.690 2.880 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)s1 ZINC000572695613 564606052 /nfs/dbraw/zinc/60/60/52/564606052.db2.gz DPFQDMGISXKECB-LLVKDONJSA-N -2 3 381.262 2.863 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Oc2ccccc2)C(=O)[O-])c(Cl)cc1F ZINC000549935970 564609577 /nfs/dbraw/zinc/60/95/77/564609577.db2.gz HDAMWDBDMASIBA-AWEZNQCLSA-N -2 3 387.816 2.598 20 0 GFADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000573034862 564619524 /nfs/dbraw/zinc/61/95/24/564619524.db2.gz ZHCZQBIOYGOTGM-QMTHXVAHSA-N -2 3 380.388 2.660 20 0 GFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000575740043 564702196 /nfs/dbraw/zinc/70/21/96/564702196.db2.gz SSIXABAGCZTFLL-ONGXEEELSA-N -2 3 381.372 2.739 20 0 GFADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000526059498 564717993 /nfs/dbraw/zinc/71/79/93/564717993.db2.gz SPWNEJRQQBFTFQ-SNVBAGLBSA-N -2 3 381.262 2.863 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)sc1Br ZINC000527202104 564733883 /nfs/dbraw/zinc/73/38/83/564733883.db2.gz LMBBBWZZJXPSJH-UHFFFAOYSA-N -2 3 380.241 2.589 20 0 GFADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1(CC)CC ZINC000581427239 564802398 /nfs/dbraw/zinc/80/23/98/564802398.db2.gz JTDWOWPIGHOHEZ-STQMWFEESA-N -2 3 391.511 2.717 20 0 GFADHL CN(C)c1nc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cc(=O)[n-]1 ZINC000463452232 564881256 /nfs/dbraw/zinc/88/12/56/564881256.db2.gz PAIFKILQHFWQJW-UHFFFAOYSA-N -2 3 387.621 2.622 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)c2cccs2)C(=O)[O-])sc1Cl ZINC000530435197 564881847 /nfs/dbraw/zinc/88/18/47/564881847.db2.gz DAWQTCKKLPIQBG-MRVPVSSYSA-N -2 3 393.895 2.776 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1cccc(Cl)c1 ZINC000558474089 564902710 /nfs/dbraw/zinc/90/27/10/564902710.db2.gz LDZMOPMXYYUULZ-LLVKDONJSA-N -2 3 394.758 2.858 20 0 GFADHL CCc1cc(=O)[n-]c(CN2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])n1 ZINC000584000169 564916110 /nfs/dbraw/zinc/91/61/10/564916110.db2.gz QZSDMXGEMTVTCS-CQSZACIVSA-N -2 3 392.253 2.519 20 0 GFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000535512954 565014736 /nfs/dbraw/zinc/01/47/36/565014736.db2.gz DEZZLAKOXZINRX-LLVKDONJSA-N -2 3 384.679 2.880 20 0 GFADHL CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000563070835 565054902 /nfs/dbraw/zinc/05/49/02/565054902.db2.gz LQLSDSYCQDSNBL-LLVKDONJSA-N -2 3 379.862 2.530 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)CCC(F)(F)F)c1c(Cl)cccc1Cl ZINC000584473017 565082676 /nfs/dbraw/zinc/08/26/76/565082676.db2.gz MUIKQFCSINNFIH-VIFPVBQESA-N -2 3 380.171 2.991 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1F ZINC000584716252 565093268 /nfs/dbraw/zinc/09/32/68/565093268.db2.gz FNQGTTWGWAMWQW-UHFFFAOYSA-N -2 3 387.454 2.850 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c[n-]1 ZINC000585730841 565107749 /nfs/dbraw/zinc/10/77/49/565107749.db2.gz GMPCXLSRKNBIOT-UHFFFAOYSA-N -2 3 382.200 2.833 20 0 GFADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(F)(F)F ZINC000663293686 565408355 /nfs/dbraw/zinc/40/83/55/565408355.db2.gz KGBLLMNZULCZAH-ZETCQYMHSA-N -2 3 377.743 2.801 20 0 GFADHL CC(C)n1cnc(S(=O)(=O)[N-]Cc2c3ccccc3sc2C(=O)[O-])c1 ZINC000646021925 565582338 /nfs/dbraw/zinc/58/23/38/565582338.db2.gz MFRCUTGTEXJVNQ-UHFFFAOYSA-N -2 3 379.463 2.855 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-])C1CC1 ZINC000647130209 565640478 /nfs/dbraw/zinc/64/04/78/565640478.db2.gz GBXZMKYQGZNLTP-NSHDSACASA-N -2 3 392.271 2.622 20 0 GFADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650392376 565817330 /nfs/dbraw/zinc/81/73/30/565817330.db2.gz CJXHLXOVZPLDFA-JTQLQIEISA-N -2 3 375.752 2.626 20 0 GFADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-])C1CC1 ZINC000656169656 566109818 /nfs/dbraw/zinc/10/98/18/566109818.db2.gz YZQLFJAMSMQNDD-ZIAGYGMSSA-N -2 3 383.491 2.756 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000681569125 566113350 /nfs/dbraw/zinc/11/33/50/566113350.db2.gz XUWMYFITNWPHBE-LBPRGKRZSA-N -2 3 394.396 2.829 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000681567285 566113373 /nfs/dbraw/zinc/11/33/73/566113373.db2.gz LTPJIXOXWMYQED-ZDUSSCGKSA-N -2 3 379.743 2.862 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)c(Cl)c1Cl ZINC000681579472 566114900 /nfs/dbraw/zinc/11/49/00/566114900.db2.gz PODOLHLEPXGZSO-UHFFFAOYSA-N -2 3 382.265 2.925 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000683729316 566211416 /nfs/dbraw/zinc/21/14/16/566211416.db2.gz IFFHJIVZWWRIRT-AWEZNQCLSA-N -2 3 391.779 2.731 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000737301692 598969486 /nfs/dbraw/zinc/96/94/86/598969486.db2.gz QSLFLFZQRUPNJW-CYBMUJFWSA-N -2 3 389.485 2.780 20 0 GFADHL Cc1ccsc1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737442293 599098974 /nfs/dbraw/zinc/09/89/74/599098974.db2.gz PGWZMEWFKHQDSL-UHFFFAOYSA-N -2 3 387.393 2.639 20 0 GFADHL Cc1ccsc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737442293 599098976 /nfs/dbraw/zinc/09/89/76/599098976.db2.gz PGWZMEWFKHQDSL-UHFFFAOYSA-N -2 3 387.393 2.639 20 0 GFADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000820196835 599232697 /nfs/dbraw/zinc/23/26/97/599232697.db2.gz DKZYTIKBCYCMJV-UHFFFAOYSA-N -2 3 384.874 2.901 20 0 GFADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000820196835 599232698 /nfs/dbraw/zinc/23/26/98/599232698.db2.gz DKZYTIKBCYCMJV-UHFFFAOYSA-N -2 3 384.874 2.901 20 0 GFADHL O=S(=O)([N-]c1ccc2ccccc2n1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738341627 598296770 /nfs/dbraw/zinc/29/67/70/598296770.db2.gz HEVNZRHCXGGUNW-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1ccc2ccccc2n1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738341627 598296772 /nfs/dbraw/zinc/29/67/72/598296772.db2.gz HEVNZRHCXGGUNW-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)ccc1F ZINC000737283119 598307980 /nfs/dbraw/zinc/30/79/80/598307980.db2.gz NOVISYMRCITMJW-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736439295 598414747 /nfs/dbraw/zinc/41/47/47/598414747.db2.gz OIGXUWCZGXSOQR-SNVBAGLBSA-N -2 3 385.877 2.541 20 0 GFADHL CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736439295 598414749 /nfs/dbraw/zinc/41/47/49/598414749.db2.gz OIGXUWCZGXSOQR-SNVBAGLBSA-N -2 3 385.877 2.541 20 0 GFADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C(F)(F)F ZINC000486774256 598662799 /nfs/dbraw/zinc/66/27/99/598662799.db2.gz QDAWPLQJAAUPKI-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1-c1nnn[n-]1 ZINC000820178538 607375297 /nfs/dbraw/zinc/37/52/97/607375297.db2.gz SZOGJNJRXZZZOZ-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000820178538 607375299 /nfs/dbraw/zinc/37/52/99/607375299.db2.gz SZOGJNJRXZZZOZ-UHFFFAOYSA-N -2 3 377.401 2.594 20 0 GFADHL O=C([O-])c1cc(C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)nc2ccccc21 ZINC000738215533 599462029 /nfs/dbraw/zinc/46/20/29/599462029.db2.gz RRRVOVHQIDHNMM-VOTSOKGWSA-N -2 3 383.371 2.931 20 0 GFADHL O=C([O-])c1cc(C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)nc2ccccc21 ZINC000738215533 599462031 /nfs/dbraw/zinc/46/20/31/599462031.db2.gz RRRVOVHQIDHNMM-VOTSOKGWSA-N -2 3 383.371 2.931 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(C)c1OCC(=O)[O-] ZINC000476760258 599768052 /nfs/dbraw/zinc/76/80/52/599768052.db2.gz AMEHJHMIRPLVGF-UHFFFAOYSA-N -3 3 393.417 2.574 20 0 GFADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000737177348 599815753 /nfs/dbraw/zinc/81/57/53/599815753.db2.gz GGAROCJNLNPIBS-UHFFFAOYSA-N -2 3 379.434 2.877 20 0 GFADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547917012 599979833 /nfs/dbraw/zinc/97/98/33/599979833.db2.gz YHEBNEPUSWTUFK-ZDUSSCGKSA-N -2 3 391.342 2.819 20 0 GFADHL Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000318071467 599981477 /nfs/dbraw/zinc/98/14/77/599981477.db2.gz HZOCEWULBQDEMI-UHFFFAOYSA-N -2 3 386.223 2.962 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1OC ZINC000737889715 600139128 /nfs/dbraw/zinc/13/91/28/600139128.db2.gz OXKRLCFISJSBNV-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c1 ZINC000605655190 600256277 /nfs/dbraw/zinc/25/62/77/600256277.db2.gz ZPNQLCPVFJKQFQ-UHFFFAOYSA-N -2 3 391.445 2.991 20 0 GFADHL C[C@H](c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1)N1CCOCC1 ZINC000736718597 600423133 /nfs/dbraw/zinc/42/31/33/600423133.db2.gz SOJPMMNIQGHCMH-CQSZACIVSA-N -2 3 390.461 2.579 20 0 GFADHL O=C([O-])CCCOc1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000739682239 600537253 /nfs/dbraw/zinc/53/72/53/600537253.db2.gz DCOMUHZTTSFEPF-UHFFFAOYSA-N -2 3 381.388 2.509 20 0 GFADHL CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000299568426 600678331 /nfs/dbraw/zinc/67/83/31/600678331.db2.gz HJQUDSURNHVJLV-UHFFFAOYSA-N -2 3 399.856 2.648 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)ccc1O ZINC000833305998 600687486 /nfs/dbraw/zinc/68/74/86/600687486.db2.gz CBMNRUAWPVNDPL-UHFFFAOYSA-N -2 3 375.324 2.996 20 0 GFADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000274919558 600709169 /nfs/dbraw/zinc/70/91/69/600709169.db2.gz MRHOEDAHDWITRP-LLVKDONJSA-N -2 3 392.264 2.530 20 0 GFADHL CCC(CC)([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000828849152 600791955 /nfs/dbraw/zinc/79/19/55/600791955.db2.gz NGRUEMDABVACHB-UHFFFAOYSA-N -2 3 398.250 2.519 20 0 GFADHL CC(C)C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000826821299 600953625 /nfs/dbraw/zinc/95/36/25/600953625.db2.gz YWJAFOXVRUFOJQ-CYBMUJFWSA-N -2 3 389.445 2.559 20 0 GFADHL CC(C)c1ccc(C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c([O-])c1 ZINC000827117787 601122814 /nfs/dbraw/zinc/12/28/14/601122814.db2.gz JMKCWKYFZKPUFC-AWEZNQCLSA-N -2 3 388.445 2.811 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)c1F ZINC000833295564 601236341 /nfs/dbraw/zinc/23/63/41/601236341.db2.gz VRYPLCVBQHJDSR-UHFFFAOYSA-N -2 3 397.399 2.647 20 0 GFADHL Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000833033672 601727232 /nfs/dbraw/zinc/72/72/32/601727232.db2.gz YYVKWGOQXUKVIS-UHFFFAOYSA-N -2 3 387.410 2.622 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c1-c1nnn[n-]1 ZINC000826303817 607534827 /nfs/dbraw/zinc/53/48/27/607534827.db2.gz HAXOTCGELNRIKH-UHFFFAOYSA-N -2 3 392.872 2.695 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c1-c1nn[n-]n1 ZINC000826303817 607534828 /nfs/dbraw/zinc/53/48/28/607534828.db2.gz HAXOTCGELNRIKH-UHFFFAOYSA-N -2 3 392.872 2.695 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1OC(F)F ZINC000826291473 607535503 /nfs/dbraw/zinc/53/55/03/607535503.db2.gz IGHNCFBXTMQUJI-UHFFFAOYSA-N -2 3 395.391 2.886 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc(C(=O)[O-])c1F ZINC000763282073 601985759 /nfs/dbraw/zinc/98/57/59/601985759.db2.gz DGOORGCLCGGWFQ-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)c(Br)o1 ZINC000055313288 602140169 /nfs/dbraw/zinc/14/01/69/602140169.db2.gz DDKGAGYVPULZJG-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)c(Br)o1 ZINC000833303138 602159611 /nfs/dbraw/zinc/15/96/11/602159611.db2.gz KDVDPGQYXHSSEF-KXUCPTDWSA-N -2 3 392.271 2.987 20 0 GFADHL COc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1NC(=O)[O-] ZINC000739922445 602256863 /nfs/dbraw/zinc/25/68/63/602256863.db2.gz YJAQWBXLLKLJCC-UHFFFAOYSA-N -2 3 387.392 2.558 20 0 GFADHL COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1NC(=O)[O-] ZINC000739867488 602673686 /nfs/dbraw/zinc/67/36/86/602673686.db2.gz BQBIKMTYDPQENW-JTQLQIEISA-N -2 3 378.406 2.909 20 0 GFADHL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(NC(=O)[O-])ccc3F)cc21 ZINC000738526628 602868624 /nfs/dbraw/zinc/86/86/24/602868624.db2.gz NECUKPGGQJNBPO-UHFFFAOYSA-N -2 3 393.396 2.625 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1NC(=O)[O-] ZINC000829483394 604312883 /nfs/dbraw/zinc/31/28/83/604312883.db2.gz HALJJOBJQHTING-UHFFFAOYSA-N -3 3 380.378 2.593 20 0 GFADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccccc2NC(=O)[O-])c1C ZINC000829869930 604358267 /nfs/dbraw/zinc/35/82/67/604358267.db2.gz VXXQOOVJLMNAMR-UHFFFAOYSA-N -2 3 382.394 2.666 20 0 GFADHL Cc1cccc(O[C@H]2CCCC[C@@H]2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000832972203 604510564 /nfs/dbraw/zinc/51/05/64/604510564.db2.gz QICBPHQCXAZNBI-GJZGRUSLSA-N -2 3 379.434 2.955 20 0 GFADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC000830136654 604812419 /nfs/dbraw/zinc/81/24/19/604812419.db2.gz CKUQIOALNXNLKZ-UHFFFAOYSA-N -2 3 396.396 2.546 20 0 GFADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1 ZINC000833774709 604944257 /nfs/dbraw/zinc/94/42/57/604944257.db2.gz COAFKLVHGIKKMJ-UHFFFAOYSA-N -2 3 387.417 2.731 20 0 GFADHL O=C([O-])c1cccc(NC2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)c1 ZINC000833331805 604957950 /nfs/dbraw/zinc/95/79/50/604957950.db2.gz INXCOXXXIRCKPP-UHFFFAOYSA-N -2 3 391.427 2.943 20 0 GFADHL C[C@@]1(C(=O)[O-])CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000833554164 605718676 /nfs/dbraw/zinc/71/86/76/605718676.db2.gz QRFUAGILHMUMCN-XMSQKQJNSA-N -2 3 396.443 2.577 20 0 GFADHL O=S(=O)(C=Cc1ccccc1Cl)[N-]c1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823557796 606212287 /nfs/dbraw/zinc/21/22/87/606212287.db2.gz QQEBBUGFJZXVOX-FPLPWBNLSA-N -2 3 377.813 2.638 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1C(F)(F)F ZINC000822267521 606212467 /nfs/dbraw/zinc/21/24/67/606212467.db2.gz YIEMXYDTKUYXCC-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000822202423 606622362 /nfs/dbraw/zinc/62/23/62/606622362.db2.gz ZBAAOOVFMLIQQU-UHFFFAOYSA-N -2 3 395.876 2.581 20 0 GFADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000820063532 606838830 /nfs/dbraw/zinc/83/88/30/606838830.db2.gz VMGWNKCHRWPGGB-UHFFFAOYSA-N -2 3 397.888 2.541 20 0 GFADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000820063532 606838832 /nfs/dbraw/zinc/83/88/32/606838832.db2.gz VMGWNKCHRWPGGB-UHFFFAOYSA-N -2 3 397.888 2.541 20 0 GFADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000824352772 607806201 /nfs/dbraw/zinc/80/62/01/607806201.db2.gz MSSHVRDNRPBLQI-KHPPLWFESA-N -2 3 397.460 2.508 20 0 GFADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000824352772 607806202 /nfs/dbraw/zinc/80/62/02/607806202.db2.gz MSSHVRDNRPBLQI-KHPPLWFESA-N -2 3 397.460 2.508 20 0 GFADHL CCCc1csc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000825352687 608490239 /nfs/dbraw/zinc/49/02/39/608490239.db2.gz PCEVDJVOXMCUSB-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL CCCc1csc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000825352687 608490240 /nfs/dbraw/zinc/49/02/40/608490240.db2.gz PCEVDJVOXMCUSB-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL CCCCCC[C@@](C)(NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000825268803 609259004 /nfs/dbraw/zinc/25/90/04/609259004.db2.gz YTJTXJKXKDBXHF-BFUOFWGJSA-N -2 3 389.456 2.564 20 0 GFADHL CCCCCC[C@@](C)(NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000825268803 609259005 /nfs/dbraw/zinc/25/90/05/609259005.db2.gz YTJTXJKXKDBXHF-BFUOFWGJSA-N -2 3 389.456 2.564 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1-c1nn[n-]n1 ZINC000826299808 609340125 /nfs/dbraw/zinc/34/01/25/609340125.db2.gz WEXVQYMYIRPTSD-UHFFFAOYSA-N -2 3 380.433 2.833 20 0 GFADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCCCC1 ZINC000824783099 609355641 /nfs/dbraw/zinc/35/56/41/609355641.db2.gz CLRRQUOVMUQCOW-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCCCC1 ZINC000824783099 609355642 /nfs/dbraw/zinc/35/56/42/609355642.db2.gz CLRRQUOVMUQCOW-UHFFFAOYSA-N -2 3 397.888 2.686 20 0 GFADHL Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)cc21 ZINC000826363589 609526501 /nfs/dbraw/zinc/52/65/01/609526501.db2.gz UDVMCVSAHVZODJ-UHFFFAOYSA-N -2 3 388.840 2.813 20 0 GFADHL Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)cc21 ZINC000826363589 609526503 /nfs/dbraw/zinc/52/65/03/609526503.db2.gz UDVMCVSAHVZODJ-UHFFFAOYSA-N -2 3 388.840 2.813 20 0 GFADHL O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492979 609526917 /nfs/dbraw/zinc/52/69/17/609526917.db2.gz NRVQYSABWJLFJX-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492979 609526919 /nfs/dbraw/zinc/52/69/19/609526919.db2.gz NRVQYSABWJLFJX-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000825081686 609529602 /nfs/dbraw/zinc/52/96/02/609529602.db2.gz MCBQLDJIZMEYNP-VIFPVBQESA-N -2 3 395.876 2.797 20 0 GFADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000825081686 609529605 /nfs/dbraw/zinc/52/96/05/609529605.db2.gz MCBQLDJIZMEYNP-VIFPVBQESA-N -2 3 395.876 2.797 20 0 GFADHL COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc(C(=O)[O-])c1OC ZINC000045946908 654672708 /nfs/dbraw/zinc/67/27/08/654672708.db2.gz KXVXIRVHLTUMRH-UHFFFAOYSA-N -2 3 389.788 2.995 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2cc(Br)sc2C)cc1C(=O)[O-] ZINC000122156530 654729706 /nfs/dbraw/zinc/72/97/06/654729706.db2.gz AQAFKQDAFBZBGM-UHFFFAOYSA-N -2 3 394.268 2.897 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])s1 ZINC000262423901 655445665 /nfs/dbraw/zinc/44/56/65/655445665.db2.gz BXGCPOYURYLRDB-VIFPVBQESA-N -2 3 384.317 2.844 20 0 GFADHL CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000579705297 655502715 /nfs/dbraw/zinc/50/27/15/655502715.db2.gz LCAFHECRZLGFAP-AMIZOPFISA-N -2 3 390.870 2.549 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Cc1ccccc1 ZINC000738522593 655691148 /nfs/dbraw/zinc/69/11/48/655691148.db2.gz KGJUWWROOBQOGL-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000738524913 655691191 /nfs/dbraw/zinc/69/11/91/655691191.db2.gz XDSJYRJOJLBVQU-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761908327 656024134 /nfs/dbraw/zinc/02/41/34/656024134.db2.gz TXSZOZIELKBTPB-UHFFFAOYSA-N -2 3 377.205 2.901 20 0 GFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000776615426 656767706 /nfs/dbraw/zinc/76/77/06/656767706.db2.gz LRPSCRKLMFYMNI-KCJUWKMLSA-N -2 3 382.251 2.756 20 0 GFADHL Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)[N-]OC/C=C/Cl)cs2)c1 ZINC000794293402 658512560 /nfs/dbraw/zinc/51/25/60/658512560.db2.gz OQLIPJPNMAGPCF-GORDUTHDSA-N -2 3 381.841 2.752 20 0 GFADHL C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000798357241 659096931 /nfs/dbraw/zinc/09/69/31/659096931.db2.gz GXTMROCNOPATCG-YUMQZZPRSA-N -2 3 382.301 2.923 20 0 GFADHL C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000809151386 659918586 /nfs/dbraw/zinc/91/85/86/659918586.db2.gz XUYDHHFKDVNPLC-ANRSDYALSA-N -2 3 385.800 2.978 20 0 GFADHL CC(C)(C)c1nnc([N-]C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)s1 ZINC000858694138 662119772 /nfs/dbraw/zinc/11/97/72/662119772.db2.gz HCFYIAJCSDYYBA-UHFFFAOYSA-N -2 3 376.360 2.859 20 0 GFADHL C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000871917701 662741729 /nfs/dbraw/zinc/74/17/29/662741729.db2.gz NLOFJZDTUIFDDE-RKDXNWHRSA-N -2 3 382.265 2.785 20 0 GFADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)o1 ZINC000121416592 551234154 /nfs/dbraw/zinc/23/41/54/551234154.db2.gz ZJOFHDXODXPYLS-UHFFFAOYSA-N -2 3 394.396 2.936 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1F ZINC000135325907 551387356 /nfs/dbraw/zinc/38/73/56/551387356.db2.gz JBFWYDGBMLNAAA-UHFFFAOYSA-N -2 3 378.834 2.651 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230102676 553064260 /nfs/dbraw/zinc/06/42/60/553064260.db2.gz ZSEXOOIZRPJAKZ-YPMHNXCESA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000253280381 553151173 /nfs/dbraw/zinc/15/11/73/553151173.db2.gz KLNIJOSOCNFJCV-KYZUINATSA-N -2 3 382.301 2.680 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)s1 ZINC000547584539 564498132 /nfs/dbraw/zinc/49/81/32/564498132.db2.gz HUWWMRKHAQPWCH-LLVKDONJSA-N -2 3 381.262 2.863 20 0 GFADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1F ZINC000295423308 563246730 /nfs/dbraw/zinc/24/67/30/563246730.db2.gz YLGBSAJRVFCZEC-UHFFFAOYSA-N -2 3 384.454 2.875 20 0 GFADHL CCn1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)[O-] ZINC000315373350 563440604 /nfs/dbraw/zinc/44/06/04/563440604.db2.gz CSFZSOVNNOXURN-UHFFFAOYSA-N -2 3 391.218 2.909 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000316732403 563441889 /nfs/dbraw/zinc/44/18/89/563441889.db2.gz BEULGCJRTZWQQG-LLVKDONJSA-N -2 3 394.287 2.625 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1 ZINC000317306038 563442322 /nfs/dbraw/zinc/44/23/22/563442322.db2.gz XZKOZDBIZHFPIH-UHFFFAOYSA-N -2 3 392.271 2.524 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC1(SC)CCC1 ZINC000323120508 563450954 /nfs/dbraw/zinc/45/09/54/563450954.db2.gz ANMHSYUWJVXCDN-UHFFFAOYSA-N -2 3 379.887 2.611 20 0 GFADHL CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000285024956 563499350 /nfs/dbraw/zinc/49/93/50/563499350.db2.gz IDQUUIOAILZHMY-SECBINFHSA-N -2 3 391.820 2.843 20 0 GFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380903266 563515200 /nfs/dbraw/zinc/51/52/00/563515200.db2.gz GMPBMEORARLJQG-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000392894401 563527748 /nfs/dbraw/zinc/52/77/48/563527748.db2.gz BSKQDSYGWYZHAV-SNVBAGLBSA-N -2 3 394.287 2.627 20 0 GFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000393080226 563528492 /nfs/dbraw/zinc/52/84/92/563528492.db2.gz DMNUORXOTXQPNT-UHFFFAOYSA-N -2 3 384.410 2.579 20 0 GFADHL CSc1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000433613383 563616224 /nfs/dbraw/zinc/61/62/24/563616224.db2.gz VROKLTZWJJWFMP-UHFFFAOYSA-N -2 3 390.483 2.720 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1 ZINC000435876643 563660150 /nfs/dbraw/zinc/66/01/50/563660150.db2.gz JVBFKYCKJFNQBI-GZMMTYOYSA-N -2 3 377.365 2.698 20 0 GFADHL O=C(c1cc(Cl)cc(Br)c1[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000436554698 563673277 /nfs/dbraw/zinc/67/32/77/563673277.db2.gz LGJGKWKLYPHENP-UHFFFAOYSA-N -2 3 384.617 2.502 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC3(CCC3)C2)sc1Cl ZINC000364366744 563751363 /nfs/dbraw/zinc/75/13/63/563751363.db2.gz CDVGNNQOAAMJCJ-ZYHUDNBSSA-N -2 3 393.914 2.791 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc(C(=O)[O-])c1C ZINC000471111454 564185473 /nfs/dbraw/zinc/18/54/73/564185473.db2.gz DQYNGSNPEVMDSN-DEOSSOPVSA-N -2 3 381.475 2.681 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2CCCCC2)c(F)c1 ZINC000450955249 564257303 /nfs/dbraw/zinc/25/73/03/564257303.db2.gz FJEYZKXSLJUDHC-UHFFFAOYSA-N -2 3 378.491 2.588 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)s1 ZINC000564919360 564257548 /nfs/dbraw/zinc/25/75/48/564257548.db2.gz COPVYUBZYTWMCM-MRVPVSSYSA-N -2 3 375.493 2.734 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@H](C)C(C)C)c(F)c1 ZINC000451233538 564289211 /nfs/dbraw/zinc/28/92/11/564289211.db2.gz YRDYIZKJYRXNFG-LBPRGKRZSA-N -2 3 380.507 2.548 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)cc1C(=O)[O-] ZINC000541934713 564295750 /nfs/dbraw/zinc/29/57/50/564295750.db2.gz WQCBZFHBWHIFAB-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL CC1(C)CCC([N-]S(=O)(=O)c2ccc(Br)cn2)(C(=O)[O-])CC1 ZINC000542860331 564329984 /nfs/dbraw/zinc/32/99/84/564329984.db2.gz YMXXFSOAFTYGAH-UHFFFAOYSA-N -2 3 391.287 2.546 20 0 GFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000566773543 564342870 /nfs/dbraw/zinc/34/28/70/564342870.db2.gz RNTCKVLJPOYAHH-JTQLQIEISA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000511070053 564355921 /nfs/dbraw/zinc/35/59/21/564355921.db2.gz SHGICLXJFQEDQP-HIFRSBDPSA-N -2 3 385.438 2.784 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543769060 564363140 /nfs/dbraw/zinc/36/31/40/564363140.db2.gz DLAYSKNZYAKGAS-ZWNOBZJWSA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCC1 ZINC000568635109 564427638 /nfs/dbraw/zinc/42/76/38/564427638.db2.gz RSHIJKRINYMSST-UHFFFAOYSA-N -2 3 382.663 2.636 20 0 GFADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000568707925 564430313 /nfs/dbraw/zinc/43/03/13/564430313.db2.gz YRCQOPRJZUHDEH-UHFFFAOYSA-N -2 3 394.630 2.872 20 0 GFADHL COc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000547571521 564495943 /nfs/dbraw/zinc/49/59/43/564495943.db2.gz XTUFGGSHMNVFRB-NSHDSACASA-N -2 3 389.882 2.632 20 0 GFADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)CC(=O)[O-] ZINC000516561072 564505240 /nfs/dbraw/zinc/50/52/40/564505240.db2.gz DDGPLEDHBIUPNI-VIFPVBQESA-N -2 3 383.388 2.842 20 0 GFADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000547890932 564516762 /nfs/dbraw/zinc/51/67/62/564516762.db2.gz SIRGTMKJELKCNN-NSHDSACASA-N -2 3 397.758 2.926 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Cc1cccnc1 ZINC000547898261 564517535 /nfs/dbraw/zinc/51/75/35/564517535.db2.gz JCOQATGTMUNDND-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)Cc1ccc(Cl)cc1 ZINC000548206725 564536599 /nfs/dbraw/zinc/53/65/99/564536599.db2.gz BWYWPGFFHQWHQZ-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1cccnc1 ZINC000548220176 564538484 /nfs/dbraw/zinc/53/84/84/564538484.db2.gz WZEMNJALBKZSKF-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548223246 564539408 /nfs/dbraw/zinc/53/94/08/564539408.db2.gz MNKJECWEPJFEDT-JTQLQIEISA-N -2 3 391.829 2.545 20 0 GFADHL COc1ccsc1S(=O)(=O)[N-]C[C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000548528820 564555595 /nfs/dbraw/zinc/55/55/95/564555595.db2.gz BVEUNQLYGSAIIE-LLVKDONJSA-N -2 3 389.882 2.632 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccn1 ZINC000548534152 564556310 /nfs/dbraw/zinc/55/63/10/564556310.db2.gz IZFIZDFDSYEWRZ-SNVBAGLBSA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000518918794 564565821 /nfs/dbraw/zinc/56/58/21/564565821.db2.gz JHZYQAWLRZKKJW-RKDXNWHRSA-N -2 3 396.690 2.882 20 0 GFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548619104 564567124 /nfs/dbraw/zinc/56/71/24/564567124.db2.gz PSIGZBIEOBANEN-MRVPVSSYSA-N -2 3 382.251 2.756 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)sc1Br ZINC000519348488 564574850 /nfs/dbraw/zinc/57/48/50/564574850.db2.gz UCJCZNVEWAGTRA-XVKPBYJWSA-N -2 3 382.301 2.597 20 0 GFADHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2cc(F)ccc2Br)(C(=O)[O-])C1 ZINC000548837315 564577566 /nfs/dbraw/zinc/57/75/66/564577566.db2.gz WGUGTQOKQXBAEV-LKFCYVNXSA-N -2 3 394.262 2.900 20 0 GFADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)c(Cl)c1Cl ZINC000548866354 564578722 /nfs/dbraw/zinc/57/87/22/564578722.db2.gz ALABSILYDBPGOF-UHLUBPPHSA-N -2 3 382.265 2.780 20 0 GFADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n[n-]1 ZINC000519819636 564592182 /nfs/dbraw/zinc/59/21/82/564592182.db2.gz ZMAMKUQDEMHWFL-UHFFFAOYSA-N -2 3 382.200 2.833 20 0 GFADHL O=C([O-])[C@@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000549548727 564597486 /nfs/dbraw/zinc/59/74/86/564597486.db2.gz HAOABUPCVHMRGX-ZFWWWQNUSA-N -2 3 393.864 2.542 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)s1 ZINC000484789617 564598869 /nfs/dbraw/zinc/59/88/69/564598869.db2.gz SBIYCBRPBMGAIE-NSHDSACASA-N -2 3 390.280 2.923 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000572834920 564612183 /nfs/dbraw/zinc/61/21/83/564612183.db2.gz HWTAFIXNYVRMLO-QPUJVOFHSA-N -2 3 382.251 2.612 20 0 GFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551597622 564657259 /nfs/dbraw/zinc/65/72/59/564657259.db2.gz VVXXYPFHLWJBKK-VIFPVBQESA-N -2 3 384.679 2.880 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000573448234 564638640 /nfs/dbraw/zinc/63/86/40/564638640.db2.gz ZYZDNAVSFFAYRQ-RKDXNWHRSA-N -2 3 396.690 2.882 20 0 GFADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-])C1CC1 ZINC000551244596 564644012 /nfs/dbraw/zinc/64/40/12/564644012.db2.gz HZOFEWSSVGJXNZ-KRTXAFLBSA-N -2 3 396.690 2.880 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)s1 ZINC000573834638 564656327 /nfs/dbraw/zinc/65/63/27/564656327.db2.gz CJSXOORHLYNWKG-PSASIEDQSA-N -2 3 384.317 2.843 20 0 GFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccc2c(Cl)ccnc21)C(F)(F)F ZINC000575224997 564694774 /nfs/dbraw/zinc/69/47/74/564694774.db2.gz BMEHUOHIVRYYTF-MRVPVSSYSA-N -2 3 396.774 2.820 20 0 GFADHL CC1([C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C(=O)[O-])CCCCC1 ZINC000576682405 564717052 /nfs/dbraw/zinc/71/70/52/564717052.db2.gz MMPRMOJNVKBNKM-LBPRGKRZSA-N -2 3 380.388 2.802 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000556714342 564836734 /nfs/dbraw/zinc/83/67/34/564836734.db2.gz CQGLXNYLPWLNJO-NWDGAFQWSA-N -2 3 393.889 2.533 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000556778333 564839991 /nfs/dbraw/zinc/83/99/91/564839991.db2.gz NJJKLXIIFPGOKL-LURJTMIESA-N -2 3 380.171 2.925 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)sc1Cl ZINC000530381869 564879703 /nfs/dbraw/zinc/87/97/03/564879703.db2.gz KFQDFDUDQIZYHF-OAHLLOKOSA-N -2 3 399.881 2.565 20 0 GFADHL CC(C)c1nc(C2([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)CCCC2)no1 ZINC000583319714 564886357 /nfs/dbraw/zinc/88/63/57/564886357.db2.gz CXTYFTIZIDFPPX-UHFFFAOYSA-N -2 3 385.467 2.701 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)s2)cs1 ZINC000561856429 565011291 /nfs/dbraw/zinc/01/12/91/565011291.db2.gz RMNQZAUTMZENJX-MRVPVSSYSA-N -2 3 396.462 2.814 20 0 GFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC)c(Br)c2)c1 ZINC000537196901 565055160 /nfs/dbraw/zinc/05/51/60/565055160.db2.gz XQJISTFTQGSHPT-UHFFFAOYSA-N -2 3 388.239 2.973 20 0 GFADHL CCOC(=O)C(=C([O-])CSc1nc(C)c(C)c(=O)[n-]1)c1nc(C)cs1 ZINC000537414630 565058261 /nfs/dbraw/zinc/05/82/61/565058261.db2.gz PSTVJHJJABJXBY-LBPRGKRZSA-N -2 3 381.479 2.572 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1F ZINC000590263285 565181700 /nfs/dbraw/zinc/18/17/00/565181700.db2.gz CXDUGCKRWYFMKL-UHFFFAOYSA-N -2 3 377.752 2.882 20 0 GFADHL CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000590610566 565194081 /nfs/dbraw/zinc/19/40/81/565194081.db2.gz ZBCGDDSRPYYTGT-SWLSCSKDSA-N -2 3 392.518 2.834 20 0 GFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000644571932 565483062 /nfs/dbraw/zinc/48/30/62/565483062.db2.gz KJAZYFJPTIAAHG-GZMMTYOYSA-N -2 3 387.351 2.748 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1)C(C)C ZINC000647128891 565639510 /nfs/dbraw/zinc/63/95/10/565639510.db2.gz SOUCVBGOMRWCSD-LBPRGKRZSA-N -2 3 380.260 2.560 20 0 GFADHL CCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(Br)c1O ZINC000670369823 565720506 /nfs/dbraw/zinc/72/05/06/565720506.db2.gz DELSPSRXELHMHM-ONEGZZNKSA-N -2 3 381.182 2.918 20 0 GFADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000672774981 565816546 /nfs/dbraw/zinc/81/65/46/565816546.db2.gz FCOKXATYWWCTKN-JTQLQIEISA-N -2 3 384.198 2.613 20 0 GFADHL COc1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000682894904 566174981 /nfs/dbraw/zinc/17/49/81/566174981.db2.gz PRPVRWWDXWAFGL-AWEZNQCLSA-N -2 3 381.475 2.911 20 0 GFADHL O=C([O-])c1cc([N-]S(=O)(=O)CCOCC2CCC2)ccc1Br ZINC000634790678 566176985 /nfs/dbraw/zinc/17/69/85/566176985.db2.gz QRBMWQLJRQTWSX-UHFFFAOYSA-N -2 3 392.271 2.706 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000683729384 566211777 /nfs/dbraw/zinc/21/17/77/566211777.db2.gz KTYIXWJESDRXSN-BZNIZROVSA-N -2 3 375.874 2.908 20 0 GFADHL O=S(=O)([N-]c1nc2c(s1)CCCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000738338782 598910548 /nfs/dbraw/zinc/91/05/48/598910548.db2.gz JGERADXAQNLQTG-UHFFFAOYSA-N -2 3 394.457 2.532 20 0 GFADHL O=S(=O)([N-]c1nc2c(s1)CCCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000738338782 598910550 /nfs/dbraw/zinc/91/05/50/598910550.db2.gz JGERADXAQNLQTG-UHFFFAOYSA-N -2 3 394.457 2.532 20 0 GFADHL CCC[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000736415227 598973930 /nfs/dbraw/zinc/97/39/30/598973930.db2.gz DYVSECDIYHYASY-INIZCTEOSA-N -2 3 399.476 2.564 20 0 GFADHL CCC[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000736415227 598973931 /nfs/dbraw/zinc/97/39/31/598973931.db2.gz DYVSECDIYHYASY-INIZCTEOSA-N -2 3 399.476 2.564 20 0 GFADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736436497 599245237 /nfs/dbraw/zinc/24/52/37/599245237.db2.gz CWPLQUDMWLXPFT-LLVKDONJSA-N -2 3 399.904 2.932 20 0 GFADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736436497 599245239 /nfs/dbraw/zinc/24/52/39/599245239.db2.gz CWPLQUDMWLXPFT-LLVKDONJSA-N -2 3 399.904 2.932 20 0 GFADHL C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC000736230768 598481015 /nfs/dbraw/zinc/48/10/15/598481015.db2.gz VCURQWVCHVBOGJ-CHWSQXEVSA-N -2 3 391.497 2.524 20 0 GFADHL C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000736230768 598481016 /nfs/dbraw/zinc/48/10/16/598481016.db2.gz VCURQWVCHVBOGJ-CHWSQXEVSA-N -2 3 391.497 2.524 20 0 GFADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737346132 598548335 /nfs/dbraw/zinc/54/83/35/598548335.db2.gz DWWOZVFPRREZEW-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL CC(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735708153 598726660 /nfs/dbraw/zinc/72/66/60/598726660.db2.gz KLWDCWPITBTNQV-KRWDZBQOSA-N -2 3 399.476 2.502 20 0 GFADHL CC(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735708153 598726661 /nfs/dbraw/zinc/72/66/61/598726661.db2.gz KLWDCWPITBTNQV-KRWDZBQOSA-N -2 3 399.476 2.502 20 0 GFADHL Cc1[nH]nc(S(=O)(=O)[N-]Nc2c(Cl)cc(Cl)cc2Cl)c1C(=O)[O-] ZINC000738828648 600229357 /nfs/dbraw/zinc/22/93/57/600229357.db2.gz IBQQHRPOSOCSAM-UHFFFAOYSA-N -2 3 399.643 2.682 20 0 GFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000736543605 600256187 /nfs/dbraw/zinc/25/61/87/600256187.db2.gz FEWWRDHTLCRPAK-CQSZACIVSA-N -2 3 390.461 2.719 20 0 GFADHL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc2)CCO1 ZINC000736827417 600256252 /nfs/dbraw/zinc/25/62/52/600256252.db2.gz SMIPBASYKQFQRR-GFCCVEGCSA-N -2 3 394.424 2.550 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCO[C@@H]2CCCc3ccccc32)o1 ZINC000580070377 600312059 /nfs/dbraw/zinc/31/20/59/600312059.db2.gz DMQDCHDJOPQEPK-OAHLLOKOSA-N -2 3 379.434 2.740 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)cc2)cc(=O)[n-]1 ZINC000738828980 600317582 /nfs/dbraw/zinc/31/75/82/600317582.db2.gz HTDQRHBYPPYLIW-HNNXBMFYSA-N -2 3 382.420 2.876 20 0 GFADHL COC(=O)c1cc(C)nc2nc(S[C@@H](C(=O)[O-])c3ccccc3)[n-]c(=O)c21 ZINC000737654633 600379128 /nfs/dbraw/zinc/37/91/28/600379128.db2.gz VGRALARGEWPBFM-CYBMUJFWSA-N -2 3 385.401 2.743 20 0 GFADHL CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)[O-])c3)c2C1 ZINC000737029611 600544452 /nfs/dbraw/zinc/54/44/52/600544452.db2.gz BXHKWSVRCNHJHS-UHFFFAOYSA-N -2 3 390.461 2.920 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(F)cc1Br ZINC000740087783 600634107 /nfs/dbraw/zinc/63/41/07/600634107.db2.gz ODAHUBWMKHGLSO-VIFPVBQESA-N -2 3 392.246 2.921 20 0 GFADHL CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccco1 ZINC000583992638 600649822 /nfs/dbraw/zinc/64/98/22/600649822.db2.gz WBUORFCQFILPNF-INIZCTEOSA-N -2 3 381.450 2.599 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000061609294 600774464 /nfs/dbraw/zinc/77/44/64/600774464.db2.gz NBPKLNCTGMQMML-JTQLQIEISA-N -2 3 390.280 2.657 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000833027090 601215446 /nfs/dbraw/zinc/21/54/46/601215446.db2.gz OQWOYSJANOCOKB-UHFFFAOYSA-N -2 3 379.312 2.663 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCC3)c2)cc1C(=O)[O-] ZINC000833026424 601216556 /nfs/dbraw/zinc/21/65/56/601216556.db2.gz AYZMONJAVUCQMB-UHFFFAOYSA-N -2 3 392.433 2.503 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1C(=O)[O-] ZINC000580548307 601217480 /nfs/dbraw/zinc/21/74/80/601217480.db2.gz NPDIZHMEKBHQGX-GDBMZVCRSA-N -2 3 383.397 2.624 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc(-n3ccnc3)c2)cc1C(=O)[O-] ZINC000833027129 601224317 /nfs/dbraw/zinc/22/43/17/601224317.db2.gz CIRKHFXPAIUJFG-LLVKDONJSA-N -2 3 375.406 2.511 20 0 GFADHL COc1ccccc1C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(C)C ZINC000521620038 601225606 /nfs/dbraw/zinc/22/56/06/601225606.db2.gz DOSAZQQHDXYQAG-OAHLLOKOSA-N -2 3 381.450 2.840 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)c1F ZINC000833294744 601240993 /nfs/dbraw/zinc/24/09/93/601240993.db2.gz VXEDIVLUKZWVBA-UHFFFAOYSA-N -2 3 398.362 2.804 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)sc1Br ZINC000123553017 601256035 /nfs/dbraw/zinc/25/60/35/601256035.db2.gz KRPCVWYTKKDYAZ-UHFFFAOYSA-N -2 3 382.301 2.885 20 0 GFADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1(CC)CC ZINC000829931387 601269352 /nfs/dbraw/zinc/26/93/52/601269352.db2.gz OFDNGZSTAYBJHW-OLZOCXBDSA-N -2 3 391.436 2.925 20 0 GFADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1(CC)CC ZINC000829931385 601269380 /nfs/dbraw/zinc/26/93/80/601269380.db2.gz OFDNGZSTAYBJHW-CHWSQXEVSA-N -2 3 391.436 2.925 20 0 GFADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1Cl ZINC000055676812 601325343 /nfs/dbraw/zinc/32/53/43/601325343.db2.gz OXGTUKQBCTYLBW-UHFFFAOYSA-N -2 3 398.824 2.806 20 0 GFADHL C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2)CCO1 ZINC000265577889 601332090 /nfs/dbraw/zinc/33/20/90/601332090.db2.gz FTGASDAIDZKALE-LBPRGKRZSA-N -2 3 394.424 2.550 20 0 GFADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000761308165 601841555 /nfs/dbraw/zinc/84/15/55/601841555.db2.gz DCUIQHQEJKZXCP-AWEZNQCLSA-N -2 3 387.841 2.860 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826304007 607535377 /nfs/dbraw/zinc/53/53/77/607535377.db2.gz QSROUXAIBFVMMR-UHFFFAOYSA-N -2 3 399.263 2.865 20 0 GFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)c(C)c1 ZINC000476419086 602122211 /nfs/dbraw/zinc/12/22/11/602122211.db2.gz QEHKDFUNDPMYNS-UHFFFAOYSA-N -2 3 397.474 2.514 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H]1CCCCO1 ZINC000826611472 602125316 /nfs/dbraw/zinc/12/53/16/602125316.db2.gz HTUVPXZUQIXLEJ-LBPRGKRZSA-N -2 3 377.409 2.537 20 0 GFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@@H]1C ZINC000055313089 602140234 /nfs/dbraw/zinc/14/02/34/602140234.db2.gz UMQZLXVOSLKKNR-HLTSFMKQSA-N -2 3 380.260 2.843 20 0 GFADHL C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313751 602144075 /nfs/dbraw/zinc/14/40/75/602144075.db2.gz GUUROUWATODLPB-ZETCQYMHSA-N -2 3 394.268 2.711 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)cc1C(=O)[O-] ZINC000469002016 602308799 /nfs/dbraw/zinc/30/87/99/602308799.db2.gz PBDMXFSQAXPVLC-UHFFFAOYSA-N -2 3 377.418 2.908 20 0 GFADHL O=C([O-])NC1CCC([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000740559644 603086045 /nfs/dbraw/zinc/08/60/45/603086045.db2.gz GEZBCLSKJUAGRF-UHFFFAOYSA-N -2 3 384.351 2.702 20 0 GFADHL O=C(CNc1ccc(-c2nn[n-]n2)cc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000826413156 607634786 /nfs/dbraw/zinc/63/47/86/607634786.db2.gz TZVNHFBREVHHNJ-UHFFFAOYSA-N -2 3 392.341 2.545 20 0 GFADHL CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000572342240 604312297 /nfs/dbraw/zinc/31/22/97/604312297.db2.gz CUSQTMSJHJGDGT-UHFFFAOYSA-N -2 3 398.462 2.614 20 0 GFADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cccc(NC(=O)[O-])c2)c1C ZINC000829869872 604355083 /nfs/dbraw/zinc/35/50/83/604355083.db2.gz QNYIETQVRGAFPL-UHFFFAOYSA-N -2 3 382.394 2.666 20 0 GFADHL Cn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)nc1Cl ZINC000776537503 604407209 /nfs/dbraw/zinc/40/72/09/604407209.db2.gz FQDPENOBXLMHTQ-CYBMUJFWSA-N -2 3 399.900 2.865 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000533950788 604746460 /nfs/dbraw/zinc/74/64/60/604746460.db2.gz OXXXXACFTNFXNT-UHFFFAOYSA-N -3 3 393.417 2.602 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(Br)n1 ZINC000832950660 604798423 /nfs/dbraw/zinc/79/84/23/604798423.db2.gz SXBOGEOTTCBGAE-UHFFFAOYSA-N -2 3 389.202 2.791 20 0 GFADHL CC(C)COC[C@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])c1ccco1 ZINC000829070632 605022597 /nfs/dbraw/zinc/02/25/97/605022597.db2.gz XCPRBVMOAFSELD-INIZCTEOSA-N -2 3 381.450 2.811 20 0 GFADHL CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833482627 605208815 /nfs/dbraw/zinc/20/88/15/605208815.db2.gz FWSQJXAZOWQBHF-WDEREUQCSA-N -2 3 377.409 2.535 20 0 GFADHL CC[C@@](C)(NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833636951 605756478 /nfs/dbraw/zinc/75/64/78/605756478.db2.gz FULLVJKMLYIQSS-DYESRHJHSA-N -2 3 384.432 2.623 20 0 GFADHL C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820697711 606134489 /nfs/dbraw/zinc/13/44/89/606134489.db2.gz KUZBJNZTRPBRNW-QWRGUYRKSA-N -2 3 397.888 2.541 20 0 GFADHL C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820697711 606134490 /nfs/dbraw/zinc/13/44/90/606134490.db2.gz KUZBJNZTRPBRNW-QWRGUYRKSA-N -2 3 397.888 2.541 20 0 GFADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000826358120 608087319 /nfs/dbraw/zinc/08/73/19/608087319.db2.gz FTAZVKHZFGRLDV-UHFFFAOYSA-N -2 3 397.620 2.579 20 0 GFADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000826358120 608087320 /nfs/dbraw/zinc/08/73/20/608087320.db2.gz FTAZVKHZFGRLDV-UHFFFAOYSA-N -2 3 397.620 2.579 20 0 GFADHL O=S(=O)([N-]c1cccc2ncccc12)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492934 608101167 /nfs/dbraw/zinc/10/11/67/608101167.db2.gz LWKUZBGUMOHQIT-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL O=S(=O)([N-]c1cccc2ncccc12)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492934 608101168 /nfs/dbraw/zinc/10/11/68/608101168.db2.gz LWKUZBGUMOHQIT-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL Cc1c([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cccc1-c1nn[n-]n1 ZINC000826242693 609313193 /nfs/dbraw/zinc/31/31/93/609313193.db2.gz BAUJQRNLDVFYFL-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL CC(=O)c1ccc([O-])c(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000824024766 609350544 /nfs/dbraw/zinc/35/05/44/609350544.db2.gz OTFMIUGHEZTQKD-GOSISDBHSA-N -2 3 395.419 2.817 20 0 GFADHL CC(=O)c1ccc([O-])c(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000824024766 609350545 /nfs/dbraw/zinc/35/05/45/609350545.db2.gz OTFMIUGHEZTQKD-GOSISDBHSA-N -2 3 395.419 2.817 20 0 GFADHL Cc1cc(Br)c([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826256287 609399714 /nfs/dbraw/zinc/39/97/14/609399714.db2.gz BMKRHFMCPMBEQI-UHFFFAOYSA-N -2 3 380.227 2.957 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)s1 ZINC000819158214 660248308 /nfs/dbraw/zinc/24/83/08/660248308.db2.gz IQPVSIHFEAURAS-IUCAKERBSA-N -2 3 394.312 2.923 20 0 GFADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc4nc(Cl)sc4c3)ccc21 ZINC000821097034 660315488 /nfs/dbraw/zinc/31/54/88/660315488.db2.gz PAYXUVHTZGZSOS-UHFFFAOYSA-N -2 3 393.833 2.634 20 0 GFADHL O=C([N-]C1(c2nn[n-]n2)CCCC1)C(F)(F)c1ccccc1Br ZINC000826048542 660448435 /nfs/dbraw/zinc/44/84/35/660448435.db2.gz SSOLAEZMQJNIMN-UHFFFAOYSA-N -2 3 386.200 2.640 20 0 GFADHL Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1 ZINC000277244526 655309436 /nfs/dbraw/zinc/30/94/36/655309436.db2.gz CYYBWKKRVPPLNY-UHFFFAOYSA-N -2 3 383.164 2.859 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c(Br)c1 ZINC000398230762 655402585 /nfs/dbraw/zinc/40/25/85/655402585.db2.gz ZQQIPSKWBAVOSF-SNVBAGLBSA-N -2 3 384.198 2.613 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000776573079 656761329 /nfs/dbraw/zinc/76/13/29/656761329.db2.gz YODKZUFANAKDLL-NSHDSACASA-N -2 3 389.260 2.925 20 0 GFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000776615427 656767541 /nfs/dbraw/zinc/76/75/41/656767541.db2.gz LRPSCRKLMFYMNI-KWQFWETISA-N -2 3 382.251 2.756 20 0 GFADHL COC(=O)c1sc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])c(C)c1Cl ZINC000788440304 657718488 /nfs/dbraw/zinc/71/84/88/657718488.db2.gz GYDSUGSBEOKZSM-UHFFFAOYSA-N -2 3 397.902 2.666 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000797427976 659020007 /nfs/dbraw/zinc/02/00/07/659020007.db2.gz MFYHWGDUEPDYON-SNVBAGLBSA-N -2 3 382.663 2.634 20 0 GFADHL C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000809150571 659918376 /nfs/dbraw/zinc/91/83/76/659918376.db2.gz ITPGFQQOXLDGPK-GLEZIHRCSA-N -2 3 385.800 2.978 20 0 GFADHL CC(F)(F)CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000389702205 563522157 /nfs/dbraw/zinc/52/21/57/563522157.db2.gz SWNAQWFMCWKERK-UHFFFAOYSA-N -2 3 386.214 2.861 20 0 GFADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000123840460 551308770 /nfs/dbraw/zinc/30/87/70/551308770.db2.gz ZFSVJQCJZCBSLW-UHFFFAOYSA-N -2 3 386.470 2.951 20 0 GFADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1F ZINC000135333156 551387098 /nfs/dbraw/zinc/38/70/98/551387098.db2.gz QFFDOUQIGLNUQO-UHFFFAOYSA-N -2 3 396.824 2.791 20 0 GFADHL CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC000185006385 552350664 /nfs/dbraw/zinc/35/06/64/552350664.db2.gz RHKILMQAYDJCBQ-UHFFFAOYSA-N -2 3 386.470 2.799 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c[nH]1 ZINC000190073707 552486870 /nfs/dbraw/zinc/48/68/70/552486870.db2.gz VYBYPYVBDSQACN-UHFFFAOYSA-N -2 3 381.154 2.554 20 0 GFADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000230061908 553064504 /nfs/dbraw/zinc/06/45/04/553064504.db2.gz HLDMFUVOMMNPKL-UHFFFAOYSA-N -2 3 380.235 2.510 20 0 GFADHL CC(C)C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236630857 553069743 /nfs/dbraw/zinc/06/97/43/553069743.db2.gz MGJVSQUHTXOZLL-ZDUSSCGKSA-N -2 3 381.226 2.520 20 0 GFADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000262364312 553169648 /nfs/dbraw/zinc/16/96/48/553169648.db2.gz DGBJKXVATIQLPZ-UHFFFAOYSA-N -2 3 380.235 2.510 20 0 GFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312514631 563437117 /nfs/dbraw/zinc/43/71/17/563437117.db2.gz MFZJEZMBAXMSAH-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Br)c1C ZINC000319273997 563444968 /nfs/dbraw/zinc/44/49/68/563444968.db2.gz GCUCGAFWURNZOI-UHFFFAOYSA-N -2 3 388.239 2.836 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)cc1C#N ZINC000324579158 563453045 /nfs/dbraw/zinc/45/30/45/563453045.db2.gz WYRAECUNMVRKSS-UHFFFAOYSA-N -2 3 396.222 2.523 20 0 GFADHL CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000325028982 563453072 /nfs/dbraw/zinc/45/30/72/563453072.db2.gz INKCJCZXGZCQHH-UHFFFAOYSA-N -2 3 388.854 2.602 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CS2 ZINC000327705168 563459244 /nfs/dbraw/zinc/45/92/44/563459244.db2.gz PDITVLKGCPUGDR-UHFFFAOYSA-N -2 3 378.431 2.538 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@](C)(CC)C(=O)[O-] ZINC000388368117 563520676 /nfs/dbraw/zinc/52/06/76/563520676.db2.gz AETBJVMDVYGSHD-AWEZNQCLSA-N -2 3 394.287 2.627 20 0 GFADHL COc1cc(OC)c([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000392284228 563526119 /nfs/dbraw/zinc/52/61/19/563526119.db2.gz UIHRVIUBGFPESV-UHFFFAOYSA-N -2 3 385.825 2.997 20 0 GFADHL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000288327494 563638222 /nfs/dbraw/zinc/63/82/22/563638222.db2.gz VFEOUUPERXSALO-UHFFFAOYSA-N -2 3 393.487 2.578 20 0 GFADHL CCn1cc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2Cl)cc1C(=O)[O-] ZINC000414391381 563733018 /nfs/dbraw/zinc/73/30/18/563733018.db2.gz CJUFQKTWBNUDIU-UHFFFAOYSA-N -2 3 388.829 2.678 20 0 GFADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)o1 ZINC000291880412 563762708 /nfs/dbraw/zinc/76/27/08/563762708.db2.gz INAQTKUXCCYZGY-UHFFFAOYSA-N -2 3 390.820 2.905 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CCOC2(CCC2)C1 ZINC000368800296 563879223 /nfs/dbraw/zinc/87/92/23/563879223.db2.gz MZFZTNXVOXHNEX-QMTHXVAHSA-N -2 3 391.848 2.560 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000506674270 564209103 /nfs/dbraw/zinc/20/91/03/564209103.db2.gz KHDGONZUWWKJEO-UHFFFAOYSA-N -2 3 388.898 2.696 20 0 GFADHL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000507568979 564232565 /nfs/dbraw/zinc/23/25/65/564232565.db2.gz VLPLEUUMTQMCAW-JTQLQIEISA-N -3 3 381.431 2.751 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000511070052 564355833 /nfs/dbraw/zinc/35/58/33/564355833.db2.gz SHGICLXJFQEDQP-DZGCQCFKSA-N -2 3 385.438 2.784 20 0 GFADHL CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000545447319 564423576 /nfs/dbraw/zinc/42/35/76/564423576.db2.gz VHPQDCCGQCFDSK-UHFFFAOYSA-N -2 3 376.221 2.718 20 0 GFADHL CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000569100892 564448512 /nfs/dbraw/zinc/44/85/12/564448512.db2.gz UIDHDEONTLLRIQ-ZDUSSCGKSA-N -2 3 384.841 2.628 20 0 GFADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000547872616 564514961 /nfs/dbraw/zinc/51/49/61/564514961.db2.gz HCMVGMWLIJTGSD-JTQLQIEISA-N -2 3 391.873 2.542 20 0 GFADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000547895305 564517462 /nfs/dbraw/zinc/51/74/62/564517462.db2.gz SCEGKFQFWIIAQT-UHFFFAOYSA-N -2 3 385.239 2.839 20 0 GFADHL C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@@H]1C ZINC000481601564 564517788 /nfs/dbraw/zinc/51/77/88/564517788.db2.gz UEDLBDGGUZVNAG-JHJVBQTASA-N -2 3 392.518 2.548 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000547933939 564522995 /nfs/dbraw/zinc/52/29/95/564522995.db2.gz UPPLLYNZUVGKGJ-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548209564 564536914 /nfs/dbraw/zinc/53/69/14/564536914.db2.gz LMXBFHHVUNKTND-JOYOIKCWSA-N -2 3 389.882 2.713 20 0 GFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)c1 ZINC000548217294 564537627 /nfs/dbraw/zinc/53/76/27/564537627.db2.gz LXNCMBAZWYHRPD-BZNIZROVSA-N -2 3 375.874 2.908 20 0 GFADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000548225390 564539330 /nfs/dbraw/zinc/53/93/30/564539330.db2.gz KUPGCHOBQROIOM-UHFFFAOYSA-N -2 3 387.797 2.781 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)C)C1 ZINC000571204848 564540587 /nfs/dbraw/zinc/54/05/87/564540587.db2.gz ZXONBBXPYUGUOO-WCQYABFASA-N -2 3 391.873 2.529 20 0 GFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548590620 564564752 /nfs/dbraw/zinc/56/47/52/564564752.db2.gz QWXFKZJPLJAKHV-NSHDSACASA-N -2 3 382.251 2.756 20 0 GFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-])c1nc(C)cs1 ZINC000571794849 564567028 /nfs/dbraw/zinc/56/70/28/564567028.db2.gz JKGHXDXVBBNKTI-CYBMUJFWSA-N -2 3 384.479 2.517 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1Cl ZINC000548768173 564573724 /nfs/dbraw/zinc/57/37/24/564573724.db2.gz HCWPEQUKTSNATI-LLVKDONJSA-N -2 3 394.758 2.858 20 0 GFADHL C[C@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000484776612 564598118 /nfs/dbraw/zinc/59/81/18/564598118.db2.gz ATBOMHSMQIDZFF-SMDDNHRTSA-N -2 3 392.518 2.690 20 0 GFADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2ccc(Br)s2)(C(=O)[O-])C1 ZINC000551996140 564671527 /nfs/dbraw/zinc/67/15/27/564671527.db2.gz PEHZUAGIXZKUJA-GFCCVEGCSA-N -2 3 382.301 2.822 20 0 GFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000551997415 564672552 /nfs/dbraw/zinc/67/25/52/564672552.db2.gz DYVXUYCEYVOTBN-NSHDSACASA-N -2 3 382.663 2.634 20 0 GFADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000526059642 564718444 /nfs/dbraw/zinc/71/84/44/564718444.db2.gz MYMHWJPWCJEZJK-GXTWGEPZSA-N -2 3 385.869 2.827 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1c(F)cccc1F ZINC000576933274 564721756 /nfs/dbraw/zinc/72/17/56/564721756.db2.gz NAODHTAPXSUOEB-AWEZNQCLSA-N -2 3 391.779 2.731 20 0 GFADHL C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000579349395 564747543 /nfs/dbraw/zinc/74/75/43/564747543.db2.gz KHTCDHQZJHYDOE-QMMMGPOBSA-N -2 3 394.396 2.770 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000555219085 564786288 /nfs/dbraw/zinc/78/62/88/564786288.db2.gz VZWDNDKGEQUQIW-YFKPBYRVSA-N -2 3 385.307 2.698 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000582155679 564833264 /nfs/dbraw/zinc/83/32/64/564833264.db2.gz YIRXBAJHOSRGHF-NSHDSACASA-N -2 3 393.408 2.989 20 0 GFADHL Cc1cc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])c(Br)cc2C)on1 ZINC000556774827 564839243 /nfs/dbraw/zinc/83/92/43/564839243.db2.gz FYPSGNGMKZIFIV-UHFFFAOYSA-N -2 3 389.227 2.694 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000557951638 564886416 /nfs/dbraw/zinc/88/64/16/564886416.db2.gz MKIRVMDZPNXMRX-ZETCQYMHSA-N -2 3 378.834 2.552 20 0 GFADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000530529579 564886564 /nfs/dbraw/zinc/88/65/64/564886564.db2.gz MYOQSQTWVSRFAJ-LBPRGKRZSA-N -2 3 380.235 2.510 20 0 GFADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1F ZINC000562482678 565030561 /nfs/dbraw/zinc/03/05/61/565030561.db2.gz GIPOONWJPQTHNG-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1CC(=O)[O-] ZINC000537037190 565052009 /nfs/dbraw/zinc/05/20/09/565052009.db2.gz SEABYHSZKRXVCX-UHFFFAOYSA-N -2 3 381.475 2.986 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)CCOC(F)(F)F)c(SCCC(=O)[O-])c1 ZINC000685897627 565129416 /nfs/dbraw/zinc/12/94/16/565129416.db2.gz AGKGZFDJPIJIRV-UHFFFAOYSA-N -2 3 387.401 2.840 20 0 GFADHL C[C@@H](CSCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000592449959 565277896 /nfs/dbraw/zinc/27/78/96/565277896.db2.gz YMFINZIKSWAVSH-NSHDSACASA-N -2 3 386.520 2.542 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C1CCC1 ZINC000663257051 565404427 /nfs/dbraw/zinc/40/44/27/565404427.db2.gz SRPCDHSJHGTWKP-SNVBAGLBSA-N -2 3 383.800 2.721 20 0 GFADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(F)(F)F ZINC000663294710 565408914 /nfs/dbraw/zinc/40/89/14/565408914.db2.gz YMKUGZWXHCJIBI-VIFPVBQESA-N -2 3 391.770 2.942 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1OC(F)F ZINC000645950632 565578167 /nfs/dbraw/zinc/57/81/67/565578167.db2.gz FTZGBNBJRZPHEB-VIFPVBQESA-N -2 3 392.405 2.872 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]CC[C@H]2CSc3ccccc3O2)cc1C(=O)[O-] ZINC000646058102 565584625 /nfs/dbraw/zinc/58/46/25/565584625.db2.gz ZHZVHTPQXSPOBI-NSHDSACASA-N -2 3 383.447 2.508 20 0 GFADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000647616768 565666600 /nfs/dbraw/zinc/66/66/00/565666600.db2.gz NRAUPKJHTOWYCL-LBPRGKRZSA-N -2 3 394.287 2.625 20 0 GFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000650427429 565820262 /nfs/dbraw/zinc/82/02/62/565820262.db2.gz JDAUOEPMFRTYKA-ZETCQYMHSA-N -2 3 382.663 2.634 20 0 GFADHL CCCC[C@H]([N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F)C(=O)[O-] ZINC000629291282 565836620 /nfs/dbraw/zinc/83/66/20/565836620.db2.gz CIBAEAUYBUKOQG-VIFPVBQESA-N -2 3 385.360 2.516 20 0 GFADHL CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)OCC ZINC000629332347 565845092 /nfs/dbraw/zinc/84/50/92/565845092.db2.gz FUIBPQVXYVUBKX-LLVKDONJSA-N -2 3 379.862 2.530 20 0 GFADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-])C1CC1 ZINC000656167741 566108760 /nfs/dbraw/zinc/10/87/60/566108760.db2.gz ATEOXMPBQMXRTO-CHWSQXEVSA-N -2 3 382.265 2.540 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccc(F)cc1F ZINC000681574146 566113207 /nfs/dbraw/zinc/11/32/07/566113207.db2.gz DDVMURCKSWOUCO-AWEZNQCLSA-N -2 3 377.315 2.737 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000656727909 566159065 /nfs/dbraw/zinc/15/90/65/566159065.db2.gz JNOHITGUMKQHEO-UHFFFAOYSA-N -2 3 381.422 2.701 20 0 GFADHL CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735903477 598842475 /nfs/dbraw/zinc/84/24/75/598842475.db2.gz GNVNQDHSNNQMEN-UHFFFAOYSA-N -2 3 391.428 2.732 20 0 GFADHL CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735903477 598842477 /nfs/dbraw/zinc/84/24/77/598842477.db2.gz GNVNQDHSNNQMEN-UHFFFAOYSA-N -2 3 391.428 2.732 20 0 GFADHL CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736350871 598924896 /nfs/dbraw/zinc/92/48/96/598924896.db2.gz OHRORJDXHAKMNZ-CQSZACIVSA-N -2 3 391.497 2.668 20 0 GFADHL CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736350871 598924897 /nfs/dbraw/zinc/92/48/97/598924897.db2.gz OHRORJDXHAKMNZ-CQSZACIVSA-N -2 3 391.497 2.668 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1OC(F)F ZINC000737362815 598932462 /nfs/dbraw/zinc/93/24/62/598932462.db2.gz YDRNCILHIGUPCG-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1OC(F)F ZINC000737362815 598932463 /nfs/dbraw/zinc/93/24/63/598932463.db2.gz YDRNCILHIGUPCG-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737431954 598548481 /nfs/dbraw/zinc/54/84/81/598548481.db2.gz NRXKAJVWZIQXKC-UHFFFAOYSA-N -2 3 381.364 2.577 20 0 GFADHL Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000737245814 598637774 /nfs/dbraw/zinc/63/77/74/598637774.db2.gz PVVUZSKZDNMVEQ-UHFFFAOYSA-N -2 3 386.481 2.977 20 0 GFADHL CC(C)Oc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1-c1nnn[n-]1 ZINC000820160032 607365772 /nfs/dbraw/zinc/36/57/72/607365772.db2.gz DONFBPBQNNODKO-HNNXBMFYSA-N -2 3 395.419 2.851 20 0 GFADHL CC(C)Oc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1-c1nn[n-]n1 ZINC000820160032 607365773 /nfs/dbraw/zinc/36/57/73/607365773.db2.gz DONFBPBQNNODKO-HNNXBMFYSA-N -2 3 395.419 2.851 20 0 GFADHL C[C@@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736621585 599774354 /nfs/dbraw/zinc/77/43/54/599774354.db2.gz DHXXEVHSXWRAFD-VIFPVBQESA-N -2 3 388.239 2.650 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(C(=O)[O-])s1 ZINC000737680418 599813842 /nfs/dbraw/zinc/81/38/42/599813842.db2.gz IXVGGNZDJVDWOU-UHFFFAOYSA-N -2 3 393.801 2.826 20 0 GFADHL Cc1nc(C2([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)CCCCC2)no1 ZINC000579105818 599931398 /nfs/dbraw/zinc/93/13/98/599931398.db2.gz HJLAJDVJKSGXJK-UHFFFAOYSA-N -2 3 379.438 2.523 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1 ZINC000576549804 600244462 /nfs/dbraw/zinc/24/44/62/600244462.db2.gz MURSPQNLDPZGJT-MSOLQXFVSA-N -2 3 391.445 2.868 20 0 GFADHL CC1(C)Cc2ccc(C(=O)Nc3nnc(CCCC(=O)[O-])s3)c([O-])c2O1 ZINC000736737608 600602704 /nfs/dbraw/zinc/60/27/04/600602704.db2.gz UTEYCVBLVIXZPW-UHFFFAOYSA-N -2 3 377.422 2.617 20 0 GFADHL CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736726543 600634689 /nfs/dbraw/zinc/63/46/89/600634689.db2.gz MQNQHAIFBOWGHO-ZETCQYMHSA-N -2 3 380.235 2.611 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)c[nH]1 ZINC000061691863 600678994 /nfs/dbraw/zinc/67/89/94/600678994.db2.gz YWVJADCPEIUXAO-UHFFFAOYSA-N -2 3 379.619 2.930 20 0 GFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(N2CCOC2=O)c1C ZINC000757653583 600691289 /nfs/dbraw/zinc/69/12/89/600691289.db2.gz BIONEYXBQYXTAN-UHFFFAOYSA-N -2 3 390.417 2.759 20 0 GFADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000737699140 600893293 /nfs/dbraw/zinc/89/32/93/600893293.db2.gz HXOWOQNPVUZIPN-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000610194013 600899581 /nfs/dbraw/zinc/89/95/81/600899581.db2.gz UEYALGLLXZNNBW-UHFFFAOYSA-N -2 3 377.418 2.636 20 0 GFADHL Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1C(=O)[O-] ZINC000832947948 601067309 /nfs/dbraw/zinc/06/73/09/601067309.db2.gz MMCNTHNBZCASEP-UHFFFAOYSA-N -2 3 394.424 2.771 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)c1F ZINC000833293935 601230697 /nfs/dbraw/zinc/23/06/97/601230697.db2.gz JCQBKDDOZJQWNH-UHFFFAOYSA-N -2 3 394.355 2.797 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccccc2Cl)c1F ZINC000833294332 601233016 /nfs/dbraw/zinc/23/30/16/601233016.db2.gz QSCWKYRRDVEHQQ-UHFFFAOYSA-N -2 3 375.780 2.837 20 0 GFADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1(CC)CC ZINC000829931388 601269384 /nfs/dbraw/zinc/26/93/84/601269384.db2.gz OFDNGZSTAYBJHW-QWHCGFSZSA-N -2 3 391.436 2.925 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)c1Cl ZINC000832934735 601270177 /nfs/dbraw/zinc/27/01/77/601270177.db2.gz JARQARXWBZSBAD-UHFFFAOYSA-N -2 3 382.265 2.604 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C ZINC000013032995 601319980 /nfs/dbraw/zinc/31/99/80/601319980.db2.gz MABIRWNPIUAKQC-LLVKDONJSA-N -2 3 390.417 2.522 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1C(=O)[O-] ZINC000438719191 601334152 /nfs/dbraw/zinc/33/41/52/601334152.db2.gz SESYMUFBBIWRBE-UHFFFAOYSA-N -3 3 375.402 2.681 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000827760402 601523113 /nfs/dbraw/zinc/52/31/13/601523113.db2.gz JRQREUBVUDNNGV-FJHFEUQMSA-N -2 3 397.399 2.895 20 0 GFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2ncccc2OCC(F)(F)F)s1 ZINC000833232401 601565654 /nfs/dbraw/zinc/56/56/54/601565654.db2.gz RCNVXAHLVOFMEA-UHFFFAOYSA-N -2 3 390.343 2.534 20 0 GFADHL Cc1sc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)nc1-c1ccccc1 ZINC000833033875 601585065 /nfs/dbraw/zinc/58/50/65/601585065.db2.gz NDBNMUXQFKHWEL-UHFFFAOYSA-N -2 3 392.458 2.931 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000013340680 601826356 /nfs/dbraw/zinc/82/63/56/601826356.db2.gz RXFRIVODQHWIRI-UHFFFAOYSA-N -2 3 396.852 2.676 20 0 GFADHL CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)cc21 ZINC000830963217 601843917 /nfs/dbraw/zinc/84/39/17/601843917.db2.gz AASODOOPKJCPFN-UHFFFAOYSA-N -2 3 382.825 2.668 20 0 GFADHL C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000828508598 601862168 /nfs/dbraw/zinc/86/21/68/601862168.db2.gz GIQHTMWWWIDLEZ-LBPRGKRZSA-N -2 3 394.424 2.550 20 0 GFADHL COC(=O)c1cc(C)nc2nc(SCc3ccsc3C(=O)[O-])[n-]c(=O)c21 ZINC000831248679 601893282 /nfs/dbraw/zinc/89/32/82/601893282.db2.gz OSACIZVOWOPTDJ-UHFFFAOYSA-N -2 3 391.430 2.877 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1-c1nnn[n-]1 ZINC000826303896 607538349 /nfs/dbraw/zinc/53/83/49/607538349.db2.gz LHUYIQBAQJLINA-UHFFFAOYSA-N -2 3 395.391 2.620 20 0 GFADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1-c1nn[n-]n1 ZINC000826303896 607538350 /nfs/dbraw/zinc/53/83/50/607538350.db2.gz LHUYIQBAQJLINA-UHFFFAOYSA-N -2 3 395.391 2.620 20 0 GFADHL O=C([O-])[C@@H](OC(=O)CNC(=O)c1ccc([O-])cc1)c1cc(Cl)cc(Cl)c1 ZINC000833109753 602086804 /nfs/dbraw/zinc/08/68/04/602086804.db2.gz UCFBLHPDUSXZKQ-HNNXBMFYSA-N -2 3 398.198 2.798 20 0 GFADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1F ZINC000758453493 602121366 /nfs/dbraw/zinc/12/13/66/602121366.db2.gz VGLSPSMWNQPZNE-UHFFFAOYSA-N -2 3 379.287 2.751 20 0 GFADHL C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000300663614 602146537 /nfs/dbraw/zinc/14/65/37/602146537.db2.gz NJEMAJXLHDVPKB-BDAKNGLRSA-N -2 3 380.260 2.845 20 0 GFADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000389123181 602149227 /nfs/dbraw/zinc/14/92/27/602149227.db2.gz JEMJOICMVJLFKT-UHFFFAOYSA-N -2 3 388.239 2.954 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(Br)o1 ZINC000833303137 602159722 /nfs/dbraw/zinc/15/97/22/602159722.db2.gz KDVDPGQYXHSSEF-IVZWLZJFSA-N -2 3 392.271 2.987 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c1F ZINC000833295605 602328820 /nfs/dbraw/zinc/32/88/20/602328820.db2.gz WNFIUOODNSXTFF-SNVBAGLBSA-N -2 3 389.763 2.728 20 0 GFADHL O=C([O-])N1CCC(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)(c2ccccc2)CC1 ZINC000740490976 602469907 /nfs/dbraw/zinc/46/99/07/602469907.db2.gz GAGKVHKTDVIFQT-UHFFFAOYSA-N -2 3 392.419 2.517 20 0 GFADHL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000740610781 603068478 /nfs/dbraw/zinc/06/84/78/603068478.db2.gz BSWDEFMWCRAACC-JTQLQIEISA-N -2 3 386.779 2.683 20 0 GFADHL C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823723929 603283958 /nfs/dbraw/zinc/28/39/58/603283958.db2.gz NSJITXRKHOQUNS-WBMJQRKESA-N -2 3 391.449 2.642 20 0 GFADHL Cc1ccc2c(=O)c(C(=O)N3CCC(N(CC4CC4)C(=O)[O-])CC3)c[n-]c2n1 ZINC000830438734 603475588 /nfs/dbraw/zinc/47/55/88/603475588.db2.gz LEPOLNQTJSVQAV-UHFFFAOYSA-N -2 3 384.436 2.638 20 0 GFADHL CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000828686128 604507818 /nfs/dbraw/zinc/50/78/18/604507818.db2.gz VBQZIUMUEIFJFZ-HNNXBMFYSA-N -2 3 388.829 2.552 20 0 GFADHL CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c2ccccc21 ZINC000833557641 604703457 /nfs/dbraw/zinc/70/34/57/604703457.db2.gz TXZIMIBQQQSMBE-NSHDSACASA-N -2 3 380.491 2.975 20 0 GFADHL O=C([O-])NCCOCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000834242727 605659760 /nfs/dbraw/zinc/65/97/60/605659760.db2.gz OZNFDPDBKJNPFZ-UHFFFAOYSA-N -2 3 387.417 2.892 20 0 GFADHL CC(C)(C)[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833422527 605715405 /nfs/dbraw/zinc/71/54/05/605715405.db2.gz FSQAFPBSLGWSLE-HKUYNNGSSA-N -2 3 398.459 2.869 20 0 GFADHL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000821062169 606393394 /nfs/dbraw/zinc/39/33/94/606393394.db2.gz UZGCOCSPSOHYPR-UHFFFAOYSA-N -2 3 389.485 2.671 20 0 GFADHL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821062169 606393397 /nfs/dbraw/zinc/39/33/97/606393397.db2.gz UZGCOCSPSOHYPR-UHFFFAOYSA-N -2 3 389.485 2.671 20 0 GFADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821492088 606864517 /nfs/dbraw/zinc/86/45/17/606864517.db2.gz GKHJEXMJMILISF-UHFFFAOYSA-N -2 3 379.392 2.817 20 0 GFADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821492088 606864518 /nfs/dbraw/zinc/86/45/18/606864518.db2.gz GKHJEXMJMILISF-UHFFFAOYSA-N -2 3 379.392 2.817 20 0 GFADHL O=S(=O)([N-]c1ccc(F)cc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589107 606865337 /nfs/dbraw/zinc/86/53/37/606865337.db2.gz NPXAZRWJRSPJTD-UHFFFAOYSA-N -2 3 389.746 2.738 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H](C)c1ccccc1 ZINC000820438254 606893195 /nfs/dbraw/zinc/89/31/95/606893195.db2.gz LQVMWQSAHXNRJT-GHMZBOCLSA-N -2 3 393.419 2.615 20 0 GFADHL CCOC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1-c1nnn[n-]1 ZINC000825544996 607780997 /nfs/dbraw/zinc/78/09/97/607780997.db2.gz KFHSHUOBBXOLPA-UHFFFAOYSA-N -2 3 386.343 2.532 20 0 GFADHL CCOC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1-c1nn[n-]n1 ZINC000825544996 607780998 /nfs/dbraw/zinc/78/09/98/607780998.db2.gz KFHSHUOBBXOLPA-UHFFFAOYSA-N -2 3 386.343 2.532 20 0 GFADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826451763 608090865 /nfs/dbraw/zinc/09/08/65/608090865.db2.gz VTAYAMYYEVLCLT-UHFFFAOYSA-N -2 3 383.593 2.569 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2-c2nnn[n-]2)o1 ZINC000826292814 608293247 /nfs/dbraw/zinc/29/32/47/608293247.db2.gz NEJMJJWWJQMYFQ-UHFFFAOYSA-N -2 3 398.404 2.756 20 0 GFADHL CC(=O)c1ccc([O-])c(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000824024767 609350303 /nfs/dbraw/zinc/35/03/03/609350303.db2.gz OTFMIUGHEZTQKD-SFHVURJKSA-N -2 3 395.419 2.817 20 0 GFADHL CC(=O)c1ccc([O-])c(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000824024767 609350304 /nfs/dbraw/zinc/35/03/04/609350304.db2.gz OTFMIUGHEZTQKD-SFHVURJKSA-N -2 3 395.419 2.817 20 0 GFADHL CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCO1 ZINC000817573494 660200970 /nfs/dbraw/zinc/20/09/70/660200970.db2.gz NNQFAQCCHWLAGC-VHSXEESVSA-N -2 3 382.265 2.928 20 0 GFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837288465 660982581 /nfs/dbraw/zinc/98/25/81/660982581.db2.gz FIOXYDSYLILXIZ-SSDOTTSWSA-N -2 3 399.694 2.665 20 0 GFADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000060838696 654833502 /nfs/dbraw/zinc/83/35/02/654833502.db2.gz QYDLTWOOPUHTHU-UHFFFAOYSA-N -2 3 389.260 2.772 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccsc1 ZINC000061363631 654838415 /nfs/dbraw/zinc/83/84/15/654838415.db2.gz PYOQMAKIANOUOE-LURJTMIESA-N -2 3 380.241 2.841 20 0 GFADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)(C(=O)[O-])C1(C)C ZINC000275615816 655244066 /nfs/dbraw/zinc/24/40/66/655244066.db2.gz KNYXZLKVRYGPIC-ABAIWWIYSA-N -2 3 396.292 2.930 20 0 GFADHL CCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cs1 ZINC000185015126 655361703 /nfs/dbraw/zinc/36/17/03/655361703.db2.gz YAIXQPQYVDWYGV-UHFFFAOYSA-N -2 3 378.834 2.675 20 0 GFADHL COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000517996160 655419671 /nfs/dbraw/zinc/41/96/71/655419671.db2.gz NNMJLQHGJYQUCX-UHFFFAOYSA-N -2 3 388.804 2.953 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])c(F)cc1Br ZINC000574257931 655427490 /nfs/dbraw/zinc/42/74/90/655427490.db2.gz GXABAJITLSMJPN-MRVPVSSYSA-N -2 3 382.251 2.676 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1Cl ZINC000753778377 655858487 /nfs/dbraw/zinc/85/84/87/655858487.db2.gz FLIBSXZHBBHBJW-UHFFFAOYSA-N -3 3 387.772 2.985 20 0 GFADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)o1 ZINC000840895176 661202069 /nfs/dbraw/zinc/20/20/69/661202069.db2.gz XTRGFNFKHHJABW-UHFFFAOYSA-N -2 3 376.793 2.596 20 0 GFADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]Cc2ccccc2F)s1 ZINC000761237701 656004360 /nfs/dbraw/zinc/00/43/60/656004360.db2.gz IZQROYVGWIJVEU-UHFFFAOYSA-N -2 3 394.243 2.826 20 0 GFADHL O=C([O-])[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000780688020 657023159 /nfs/dbraw/zinc/02/31/59/657023159.db2.gz UZMCSVXNKMSGRD-CQSZACIVSA-N -2 3 379.210 2.780 20 0 GFADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000798406713 659100194 /nfs/dbraw/zinc/10/01/94/659100194.db2.gz MKBBMHOPPBZDDX-UHFFFAOYSA-N -2 3 382.251 2.902 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000844896988 661447178 /nfs/dbraw/zinc/44/71/78/661447178.db2.gz KOROAYMTNBURNT-JLLWLGSASA-N -2 3 394.276 2.928 20 0 GFADHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000853070000 661880579 /nfs/dbraw/zinc/88/05/79/661880579.db2.gz UOJXJGVTDFERJP-VIFPVBQESA-N -2 3 380.647 2.554 20 0 GFADHL O=C([O-])C1(CCCC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCC1 ZINC000899955022 663704255 /nfs/dbraw/zinc/70/42/55/663704255.db2.gz QRKQSKWWORTPHA-UHFFFAOYSA-N -2 3 380.388 2.804 20 0 GFADHL COc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(Cl)cc1C(=O)[O-] ZINC000916101847 664450107 /nfs/dbraw/zinc/45/01/07/664450107.db2.gz RIIQDGMDXJXCJC-UHFFFAOYSA-N -2 3 377.205 2.896 20 0 GFADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1[O-] ZINC000011639209 551107511 /nfs/dbraw/zinc/10/75/11/551107511.db2.gz DJBTZNLVFLNPQX-UHFFFAOYSA-N -2 3 375.431 2.902 20 0 GFADHL CC1CCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CC1 ZINC000236705867 553070886 /nfs/dbraw/zinc/07/08/86/553070886.db2.gz WUWJIFBEPLNIOG-UHFFFAOYSA-N -2 3 395.308 2.702 20 0 GFADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-] ZINC000262453857 553170902 /nfs/dbraw/zinc/17/09/02/553170902.db2.gz RJFKXKIIFSVXHX-CYBMUJFWSA-N -2 3 393.889 2.533 20 0 GFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000262440931 553171002 /nfs/dbraw/zinc/17/10/02/553171002.db2.gz APYAJNPPAVVXJN-SECBINFHSA-N -2 3 384.679 2.880 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547570528 564495935 /nfs/dbraw/zinc/49/59/35/564495935.db2.gz WOZMEFHLHNYFLR-AAEUAGOBSA-N -2 3 380.235 2.510 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)s1 ZINC000558685270 564911129 /nfs/dbraw/zinc/91/11/29/564911129.db2.gz MIZGEHIOWWZFRS-OIBJUYFYSA-N -2 3 382.301 2.597 20 0 GFADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cnc(C)s3)c2)n1 ZINC000372887341 563321554 /nfs/dbraw/zinc/32/15/54/563321554.db2.gz ZWMCYXPQKLIFIN-UHFFFAOYSA-N -2 3 376.463 2.977 20 0 GFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000424387532 563377389 /nfs/dbraw/zinc/37/73/89/563377389.db2.gz FZCNZLCAPSWQEK-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000314334702 563438359 /nfs/dbraw/zinc/43/83/59/563438359.db2.gz RVUQYJBKDSUPRS-GFCCVEGCSA-N -2 3 394.287 2.625 20 0 GFADHL C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(F)cc2Br)(C(=O)[O-])C1 ZINC000314740986 563439596 /nfs/dbraw/zinc/43/95/96/563439596.db2.gz BVQUZVWLKKJWLR-XPTSAGLGSA-N -2 3 394.262 2.900 20 0 GFADHL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000322857909 563451015 /nfs/dbraw/zinc/45/10/15/563451015.db2.gz TYBXINMTFBNMRU-UHFFFAOYSA-N -2 3 398.234 2.883 20 0 GFADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000323995381 563451276 /nfs/dbraw/zinc/45/12/76/563451276.db2.gz HUKCAUOUVBISTI-PELKAZGASA-N -2 3 384.281 2.929 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](SC)C1 ZINC000326021730 563454579 /nfs/dbraw/zinc/45/45/79/563454579.db2.gz PHNIQBWGIRPYCU-MNOVXSKESA-N -2 3 393.914 2.999 20 0 GFADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000285266298 563512127 /nfs/dbraw/zinc/51/21/27/563512127.db2.gz VOUMYZPZTMADBM-SSDOTTSWSA-N -2 3 377.743 2.801 20 0 GFADHL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1Cl ZINC000436475940 563671092 /nfs/dbraw/zinc/67/10/92/563671092.db2.gz CVGLUSXNOYYNEQ-UHFFFAOYSA-N -2 3 394.758 2.964 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccsc1 ZINC000563496926 564192902 /nfs/dbraw/zinc/19/29/02/564192902.db2.gz RDCVXLSBESRDDV-NSHDSACASA-N -2 3 399.343 2.890 20 0 GFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000540983696 564261916 /nfs/dbraw/zinc/26/19/16/564261916.db2.gz UMHMRKYVOLOVCH-VIFPVBQESA-N -2 3 382.251 2.900 20 0 GFADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1 ZINC000474311239 564274360 /nfs/dbraw/zinc/27/43/60/564274360.db2.gz LSZMQMJCVOSFQV-UHFFFAOYSA-N -2 3 383.809 2.919 20 0 GFADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000565768568 564295152 /nfs/dbraw/zinc/29/51/52/564295152.db2.gz UDTNQKBTJSOFHK-SNVBAGLBSA-N -2 3 383.388 2.985 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000566007703 564305793 /nfs/dbraw/zinc/30/57/93/564305793.db2.gz ODBVJRFNSPOLHU-ZWNOBZJWSA-N -2 3 391.511 2.575 20 0 GFADHL COc1cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC000477616701 564381730 /nfs/dbraw/zinc/38/17/30/564381730.db2.gz SFZNOTVNNNYJOO-UHFFFAOYSA-N -2 3 388.804 2.817 20 0 GFADHL CCC1CCC([N-]S(=O)(=O)c2cccnc2C(F)(F)F)(C(=O)[O-])CC1 ZINC000567800487 564388874 /nfs/dbraw/zinc/38/88/74/564388874.db2.gz RHKPMLBTSGNJAA-UHFFFAOYSA-N -2 3 380.388 2.802 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1)c1ccon1 ZINC000546251758 564450926 /nfs/dbraw/zinc/45/09/26/564450926.db2.gz LFRSNKPLNQHJQD-SNVBAGLBSA-N -2 3 388.829 2.611 20 0 GFADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000570088861 564490569 /nfs/dbraw/zinc/49/05/69/564490569.db2.gz RDRREBRKDMQPRE-BDJLRTHQSA-N -2 3 393.889 2.675 20 0 GFADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547551644 564493240 /nfs/dbraw/zinc/49/32/40/564493240.db2.gz GWNIBMZBKVWWEL-ABAIWWIYSA-N -2 3 383.853 2.651 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])s1 ZINC000547570942 564495808 /nfs/dbraw/zinc/49/58/08/564495808.db2.gz SGBMIEGCSAXBIU-SKDRFNHKSA-N -2 3 382.301 2.741 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCC1 ZINC000547608700 564501474 /nfs/dbraw/zinc/50/14/74/564501474.db2.gz JDZZHYGAWAZDKA-ZDUSSCGKSA-N -2 3 386.882 2.995 20 0 GFADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000547608806 564501706 /nfs/dbraw/zinc/50/17/06/564501706.db2.gz KMVIIJXNDFGDNB-GFCCVEGCSA-N -2 3 381.878 2.910 20 0 GFADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000547616805 564504156 /nfs/dbraw/zinc/50/41/56/564504156.db2.gz HGXKIPNRGSIEOK-CQSZACIVSA-N -2 3 375.780 2.592 20 0 GFADHL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000481432179 564512852 /nfs/dbraw/zinc/51/28/52/564512852.db2.gz HDGFPXATQRNOSV-UHFFFAOYSA-N -3 3 386.223 2.962 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)Cc1ccccc1Cl ZINC000547880510 564515197 /nfs/dbraw/zinc/51/51/97/564515197.db2.gz NUXAOZYGUCQASY-LLVKDONJSA-N -2 3 389.807 2.840 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(Cl)c(F)c1 ZINC000547912149 564519821 /nfs/dbraw/zinc/51/98/21/564519821.db2.gz IYGQNWRLOZDVQZ-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL COc1cc(Cl)c(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)cc1Cl ZINC000548210181 564536740 /nfs/dbraw/zinc/53/67/40/564536740.db2.gz CSWOJHSTRXOPNO-UHFFFAOYSA-N -2 3 397.261 2.635 20 0 GFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](Cc1ccco1)C(=O)[O-] ZINC000548216803 564537703 /nfs/dbraw/zinc/53/77/03/564537703.db2.gz MYRBAKQLKFDAOE-ZDUSSCGKSA-N -2 3 383.809 2.962 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Br)cn2)CCCCC1 ZINC000548244156 564542442 /nfs/dbraw/zinc/54/24/42/564542442.db2.gz IOLZZDHSZNGBNJ-UHFFFAOYSA-N -2 3 391.287 2.548 20 0 GFADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000518110593 564546986 /nfs/dbraw/zinc/54/69/86/564546986.db2.gz INKSXXXJDOUWOL-JQWIXIFHSA-N -2 3 380.388 2.802 20 0 GFADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000548555157 564559457 /nfs/dbraw/zinc/55/94/57/564559457.db2.gz UEOCPHONJIFFHD-NSHDSACASA-N -2 3 391.873 2.542 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1F ZINC000548579172 564564219 /nfs/dbraw/zinc/56/42/19/564564219.db2.gz NIJJZAKCFGQLKD-NSHDSACASA-N -2 3 377.315 2.737 20 0 GFADHL COCCC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)CCCCC1 ZINC000572479703 564596889 /nfs/dbraw/zinc/59/68/89/564596889.db2.gz FTTRGNHDARQTSC-UHFFFAOYSA-N -2 3 391.511 2.720 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CCC1 ZINC000551238855 564643871 /nfs/dbraw/zinc/64/38/71/564643871.db2.gz VOZNLZLMEMDLPL-LLVKDONJSA-N -2 3 382.663 2.634 20 0 GFADHL COc1ncccc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000576995465 564722607 /nfs/dbraw/zinc/72/26/07/564722607.db2.gz DMXPLMPNSSYBNA-UHFFFAOYSA-N -2 3 384.479 2.626 20 0 GFADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000527053102 564728181 /nfs/dbraw/zinc/72/81/81/564728181.db2.gz HVQISPLOAIVBRX-NWDGAFQWSA-N -2 3 393.889 2.533 20 0 GFADHL CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)CCO1 ZINC000577175369 564728334 /nfs/dbraw/zinc/72/83/34/564728334.db2.gz UWIOVCFBSDHUAT-VXGBXAGGSA-N -2 3 391.511 2.717 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC1 ZINC000554539220 564764841 /nfs/dbraw/zinc/76/48/41/564764841.db2.gz XVTJGBRGVFYUDM-UHFFFAOYSA-N -2 3 382.663 2.778 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)CC(=O)[O-] ZINC000580686975 564769563 /nfs/dbraw/zinc/76/95/63/564769563.db2.gz LAJWPAOZRDKXMP-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL COc1cc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc(Cl)c1[O-] ZINC000460202553 564771580 /nfs/dbraw/zinc/77/15/80/564771580.db2.gz FRLUXBOFOXHMII-UHFFFAOYSA-N -2 3 384.841 2.986 20 0 GFADHL C[C@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000581427450 564802118 /nfs/dbraw/zinc/80/21/18/564802118.db2.gz SLVZHVBVAYLNLF-MRVPVSSYSA-N -2 3 394.396 2.770 20 0 GFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)CC(=O)[O-] ZINC000581465496 564803570 /nfs/dbraw/zinc/80/35/70/564803570.db2.gz MORBCGFQWJKYFO-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000555954405 564809643 /nfs/dbraw/zinc/80/96/43/564809643.db2.gz NHTCIWXLDQSVAB-ZDUSSCGKSA-N -2 3 393.223 2.502 20 0 GFADHL Cc1c(Br)cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC000556348844 564819594 /nfs/dbraw/zinc/81/95/94/564819594.db2.gz HUUXFRFAOYBQDN-NSHDSACASA-N -2 3 392.271 2.767 20 0 GFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000556714341 564836673 /nfs/dbraw/zinc/83/66/73/564836673.db2.gz CQGLXNYLPWLNJO-NEPJUHHUSA-N -2 3 393.889 2.533 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)[C@@H](C)C(=O)[O-] ZINC000582471053 564848604 /nfs/dbraw/zinc/84/86/04/564848604.db2.gz OWGJBAVJEXPLHJ-GHMZBOCLSA-N -2 3 375.874 2.906 20 0 GFADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-])C(C)C ZINC000530148295 564866859 /nfs/dbraw/zinc/86/68/59/564866859.db2.gz DBHDQYMRQAXESP-NSHDSACASA-N -2 3 380.260 2.560 20 0 GFADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C3CC3)s2)cs1 ZINC000558683606 564910641 /nfs/dbraw/zinc/91/06/41/564910641.db2.gz SWZYGZFRGFPLLX-RTHLEPHNSA-N -2 3 386.520 2.958 20 0 GFADHL CCc1cc(=O)[n-]c(CN2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])n1 ZINC000584000168 564916149 /nfs/dbraw/zinc/91/61/49/564916149.db2.gz QZSDMXGEMTVTCS-AWEZNQCLSA-N -2 3 392.253 2.519 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000559304145 564929427 /nfs/dbraw/zinc/92/94/27/564929427.db2.gz RIDMGHAJVHSQAG-UHFFFAOYSA-N -2 3 378.834 2.651 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000533691707 564970387 /nfs/dbraw/zinc/97/03/87/564970387.db2.gz JJFNDKMTWAKYJW-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL Cc1nc(C=Cc2cccc(I)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504722385 565043606 /nfs/dbraw/zinc/04/36/06/565043606.db2.gz VEYDRLLXZHXNNH-WAYWQWQTSA-N -2 3 396.184 2.893 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C(C)(C)c1nc(C)c(C)s1 ZINC000563070822 565054616 /nfs/dbraw/zinc/05/46/16/565054616.db2.gz LJXKGYMQVIIYSK-UHFFFAOYSA-N -2 3 390.508 2.742 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000563146463 565057556 /nfs/dbraw/zinc/05/75/56/565057556.db2.gz XJXYVVAGTSBYTP-WCBMZHEXSA-N -2 3 382.301 2.741 20 0 GFADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Br)ccc1[O-] ZINC000636317298 565107354 /nfs/dbraw/zinc/10/73/54/565107354.db2.gz AYCWVNOSZIEURM-UHFFFAOYSA-N -2 3 378.226 2.848 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000659236446 565207809 /nfs/dbraw/zinc/20/78/09/565207809.db2.gz GERYBQUSWVTGFU-PBHICJAKSA-N -2 3 393.237 2.664 20 0 GFADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cccc([O-])c1Br ZINC000641688526 565393921 /nfs/dbraw/zinc/39/39/21/565393921.db2.gz BCIKZQDTSPHLGG-UHFFFAOYSA-N -2 3 388.287 2.814 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC000645947406 565577928 /nfs/dbraw/zinc/57/79/28/565577928.db2.gz DUXVOLQCMBENQM-UHFFFAOYSA-N -2 3 387.401 2.854 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000645949907 565578112 /nfs/dbraw/zinc/57/81/12/565578112.db2.gz OFURXCUPPBZQNQ-QMMMGPOBSA-N -2 3 375.349 2.927 20 0 GFADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000646001142 565581375 /nfs/dbraw/zinc/58/13/75/565581375.db2.gz DHTOXMMYKWPUGW-WCBMZHEXSA-N -2 3 392.380 2.695 20 0 GFADHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)sc1C(=O)[O-] ZINC000646038255 565583473 /nfs/dbraw/zinc/58/34/73/565583473.db2.gz RRWGNSSTMBJRHY-ZETCQYMHSA-N -2 3 395.384 2.603 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000647616044 565666066 /nfs/dbraw/zinc/66/60/66/565666066.db2.gz VQARRNVQNSPYJT-SCZZXKLOSA-N -2 3 380.235 2.510 20 0 GFADHL COC1(C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C(=O)[O-])CCC1 ZINC000650433129 565821005 /nfs/dbraw/zinc/82/10/05/565821005.db2.gz RTCUYEVEUBNPBU-LLVKDONJSA-N -2 3 396.292 2.993 20 0 GFADHL CC1(C)C[C@H](S(=O)(=O)[N-]c2cc(Br)c(F)cc2C(=O)[O-])CO1 ZINC000629302505 565839303 /nfs/dbraw/zinc/83/93/03/565839303.db2.gz ALCDPDSCKCIKMX-ZETCQYMHSA-N -2 3 396.234 2.596 20 0 GFADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000629331822 565844949 /nfs/dbraw/zinc/84/49/49/565844949.db2.gz XZRVGIFDYPUHLU-SNVBAGLBSA-N -2 3 394.287 2.950 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000629340500 565846185 /nfs/dbraw/zinc/84/61/85/565846185.db2.gz DDBXBGNUUBUAGC-CUOATXAZSA-N -2 3 399.877 2.725 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2cccc([O-])c2Br)CCCC1 ZINC000603420210 565905256 /nfs/dbraw/zinc/90/52/56/565905256.db2.gz QTMJIGROQBOQHF-UHFFFAOYSA-N -2 3 392.271 2.630 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653495168 565969258 /nfs/dbraw/zinc/96/92/58/565969258.db2.gz XHLBHZDPNDJMAS-XHNCKOQMSA-N -2 3 396.328 2.924 20 0 GFADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000656168769 566108486 /nfs/dbraw/zinc/10/84/86/566108486.db2.gz KYVFVZZWCNNXOA-MNOVXSKESA-N -2 3 382.265 2.540 20 0 GFADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-])C1CC1 ZINC000656168187 566108827 /nfs/dbraw/zinc/10/88/27/566108827.db2.gz GCEDJKPJVYGUQM-NWDGAFQWSA-N -2 3 396.292 2.848 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC(F)F ZINC000737362773 598845242 /nfs/dbraw/zinc/84/52/42/598845242.db2.gz WBURCPZLEAUCEY-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC(F)F ZINC000737362773 598845243 /nfs/dbraw/zinc/84/52/43/598845243.db2.gz WBURCPZLEAUCEY-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000821417537 599301528 /nfs/dbraw/zinc/30/15/28/599301528.db2.gz NWUFBSYMPCOOBJ-UHFFFAOYSA-N -2 3 377.401 2.514 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736444490 599218535 /nfs/dbraw/zinc/21/85/35/599218535.db2.gz GFRFOVWVEZODGP-ZDUSSCGKSA-N -2 3 379.486 2.668 20 0 GFADHL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736444490 599218538 /nfs/dbraw/zinc/21/85/38/599218538.db2.gz GFRFOVWVEZODGP-ZDUSSCGKSA-N -2 3 379.486 2.668 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000737301775 599236805 /nfs/dbraw/zinc/23/68/05/599236805.db2.gz UFEZIHUBFKHJAB-UHFFFAOYSA-N -2 3 399.354 2.716 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)ccc1F ZINC000737283425 598307858 /nfs/dbraw/zinc/30/78/58/598307858.db2.gz RDCKEJLVJNVGDW-UHFFFAOYSA-N -2 3 391.428 2.902 20 0 GFADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000822230903 599695048 /nfs/dbraw/zinc/69/50/48/599695048.db2.gz UPTZWRNCOUVKSW-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000822230903 599695049 /nfs/dbraw/zinc/69/50/49/599695049.db2.gz UPTZWRNCOUVKSW-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c(C)c1C ZINC000504658291 600298716 /nfs/dbraw/zinc/29/87/16/600298716.db2.gz RHWGSNNNZSZDJJ-UHFFFAOYSA-N -2 3 379.434 2.966 20 0 GFADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000736164685 600488643 /nfs/dbraw/zinc/48/86/43/600488643.db2.gz AFIGMKJNNHMJBL-UHFFFAOYSA-N -2 3 392.433 2.689 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000827761275 600800686 /nfs/dbraw/zinc/80/06/86/600800686.db2.gz WFQAIDKDCABRDU-SNVBAGLBSA-N -2 3 391.380 2.613 20 0 GFADHL Cc1nc(C)c(CCC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c(=O)[n-]1 ZINC000832994617 600806265 /nfs/dbraw/zinc/80/62/65/600806265.db2.gz NRTHQQMBFLLEKC-OAHLLOKOSA-N -2 3 377.828 2.717 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1C(=O)[O-] ZINC000265700260 600815478 /nfs/dbraw/zinc/81/54/78/600815478.db2.gz DLCVAOMUQVJBHN-OAHLLOKOSA-N -2 3 377.418 2.662 20 0 GFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000262442938 600945750 /nfs/dbraw/zinc/94/57/50/600945750.db2.gz ICJIKPDUDUDEDK-SECBINFHSA-N -2 3 382.251 2.613 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCCC3)c2)cc1C(=O)[O-] ZINC000645961013 601219794 /nfs/dbraw/zinc/21/97/94/601219794.db2.gz BAPJFTXGOQLMPN-UHFFFAOYSA-N -2 3 394.449 2.871 20 0 GFADHL CCOc1cc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)ccc1OC ZINC000564921475 601221904 /nfs/dbraw/zinc/22/19/04/601221904.db2.gz WPVGIZDOPCSCIQ-UHFFFAOYSA-N -2 3 397.449 2.605 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCOCC2)cc1C(=O)[O-] ZINC000563075951 601222090 /nfs/dbraw/zinc/22/20/90/601222090.db2.gz FHFIYSFKNLOLTR-UHFFFAOYSA-N -2 3 399.852 2.924 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1C(=O)[O-] ZINC000833028997 601224639 /nfs/dbraw/zinc/22/46/39/601224639.db2.gz VZDGRUGZFVBZJT-QMMMGPOBSA-N -2 3 395.368 2.515 20 0 GFADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)COCc1ccccc1 ZINC000390420045 601232158 /nfs/dbraw/zinc/23/21/58/601232158.db2.gz PPXJLZPDRVPJIK-GFCCVEGCSA-N -2 3 399.415 2.794 20 0 GFADHL COc1ccc(CCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832299943 601232673 /nfs/dbraw/zinc/23/26/73/601232673.db2.gz REDYXMYEIUHONM-UHFFFAOYSA-N -2 3 385.388 2.583 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cccc3cccnc32)c1F ZINC000833294339 601233158 /nfs/dbraw/zinc/23/31/58/601233158.db2.gz QXBKHBMIOSXJPB-UHFFFAOYSA-N -2 3 378.356 2.690 20 0 GFADHL CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1(C)C ZINC000829413760 601240426 /nfs/dbraw/zinc/24/04/26/601240426.db2.gz XGDAUNHBRCTGSW-CHWSQXEVSA-N -2 3 391.436 2.925 20 0 GFADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000026238590 601319881 /nfs/dbraw/zinc/31/98/81/601319881.db2.gz PCVJLCISMFVSIS-RUDMXATFSA-N -2 3 379.365 2.511 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)ccc1O ZINC000833305897 601476161 /nfs/dbraw/zinc/47/61/61/601476161.db2.gz TUAVZGMUKMONBG-UHFFFAOYSA-N -2 3 381.381 2.962 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OCCCC(=O)[O-])cc2)cc1F ZINC000832887225 601882909 /nfs/dbraw/zinc/88/29/09/601882909.db2.gz JAVVRGNPCQPGNO-UHFFFAOYSA-N -2 3 399.415 2.995 20 0 GFADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740209510 602026069 /nfs/dbraw/zinc/02/60/69/602026069.db2.gz VUYBSHPASOCUJS-UHFFFAOYSA-N -2 3 397.366 2.551 20 0 GFADHL O=C([O-])[C@H](OC(=O)CNC(=O)c1ccc([O-])cc1)c1cc(Cl)cc(Cl)c1 ZINC000833109754 602087007 /nfs/dbraw/zinc/08/70/07/602087007.db2.gz UCFBLHPDUSXZKQ-OAHLLOKOSA-N -2 3 398.198 2.798 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000507620268 602112605 /nfs/dbraw/zinc/11/26/05/602112605.db2.gz JROOEXSTLPDWNU-UHFFFAOYSA-N -3 3 379.390 2.509 20 0 GFADHL Cc1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)c1 ZINC000315447567 602151026 /nfs/dbraw/zinc/15/10/26/602151026.db2.gz WBLMQAGYAHUPEE-UHFFFAOYSA-N -2 3 388.239 2.570 20 0 GFADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C[C@@H](C)C1 ZINC000252122374 602157618 /nfs/dbraw/zinc/15/76/18/602157618.db2.gz KYWBUGFLGWIYLD-BRPSZJMVSA-N -2 3 380.260 2.843 20 0 GFADHL CC1(C)CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000096703707 602157632 /nfs/dbraw/zinc/15/76/32/602157632.db2.gz NUFNKWWSDQSSQY-UHFFFAOYSA-N -2 3 380.260 2.987 20 0 GFADHL CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC3(CC(=O)[O-])CC3)n2)cc1 ZINC000830229347 602173048 /nfs/dbraw/zinc/17/30/48/602173048.db2.gz QCHWCRFDGKWADR-GFCCVEGCSA-N -2 3 393.465 2.534 20 0 GFADHL O=C([O-])N1CCc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc21 ZINC000740471818 602272614 /nfs/dbraw/zinc/27/26/14/602272614.db2.gz LIVUECATYOHYNK-QGZVFWFLSA-N -2 3 395.415 2.676 20 0 GFADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(CN(C)C(=O)[O-])c3)ccc2O1 ZINC000739189271 602655299 /nfs/dbraw/zinc/65/52/99/602655299.db2.gz LGZXQZYDYOLVQX-LBPRGKRZSA-N -2 3 376.434 2.921 20 0 GFADHL O=C([O-])NCc1ccc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)o1 ZINC000832710249 602890056 /nfs/dbraw/zinc/89/00/56/602890056.db2.gz LRCRIJTYZMIUAK-UHFFFAOYSA-N -2 3 376.369 2.881 20 0 GFADHL Cc1nc(-c2ccc(NC(=O)NC3CCC(NC(=O)[O-])CC3)cc2)cc(=O)[n-]1 ZINC000740208668 603090179 /nfs/dbraw/zinc/09/01/79/603090179.db2.gz MJVBLSACINJURF-UHFFFAOYSA-N -2 3 385.424 2.858 20 0 GFADHL O=C([O-])[C@@H]1CC12CCN(C(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000833177982 604540708 /nfs/dbraw/zinc/54/07/08/604540708.db2.gz OZCDNKMYCHFGDZ-NSHDSACASA-N -2 3 383.242 2.551 20 0 GFADHL C[C@@]1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC[C@H]1C(=O)[O-] ZINC000833568971 605246882 /nfs/dbraw/zinc/24/68/82/605246882.db2.gz JKFWKMYAGNRXEF-IINYFYTJSA-N -2 3 394.262 2.900 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c(C)c1F ZINC000504680799 605262083 /nfs/dbraw/zinc/26/20/83/605262083.db2.gz OPYUOSYYSKSVTM-UHFFFAOYSA-N -2 3 383.397 2.797 20 0 GFADHL C[C@]1(C(=O)[O-])CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000833554160 605718324 /nfs/dbraw/zinc/71/83/24/605718324.db2.gz QRFUAGILHMUMCN-GCJKJVERSA-N -2 3 396.443 2.577 20 0 GFADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000821766133 606331555 /nfs/dbraw/zinc/33/15/55/606331555.db2.gz SBPJAALBJMNFNO-UHFFFAOYSA-N -2 3 385.449 2.555 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCCCC(C)C ZINC000822222890 606396868 /nfs/dbraw/zinc/39/68/68/606396868.db2.gz XGJBIMZYHGSERY-UHFFFAOYSA-N -2 3 379.486 2.587 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCCCC(C)C ZINC000822222890 606396870 /nfs/dbraw/zinc/39/68/70/606396870.db2.gz XGJBIMZYHGSERY-UHFFFAOYSA-N -2 3 379.486 2.587 20 0 GFADHL CCCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000821081851 606469029 /nfs/dbraw/zinc/46/90/29/606469029.db2.gz BYJYVYRHRXSOGV-UHFFFAOYSA-N -2 3 399.889 2.515 20 0 GFADHL CCCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000821081851 606469030 /nfs/dbraw/zinc/46/90/30/606469030.db2.gz BYJYVYRHRXSOGV-UHFFFAOYSA-N -2 3 399.889 2.515 20 0 GFADHL CCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000821083323 606469037 /nfs/dbraw/zinc/46/90/37/606469037.db2.gz XTSXUCNATQEDBI-UHFFFAOYSA-N -2 3 399.889 2.515 20 0 GFADHL CCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000821083323 606469038 /nfs/dbraw/zinc/46/90/38/606469038.db2.gz XTSXUCNATQEDBI-UHFFFAOYSA-N -2 3 399.889 2.515 20 0 GFADHL CCCc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000821143392 606621565 /nfs/dbraw/zinc/62/15/65/606621565.db2.gz UPFBKVNCFHSZNP-UHFFFAOYSA-N -2 3 389.485 2.572 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821043213 606745882 /nfs/dbraw/zinc/74/58/82/606745882.db2.gz NCVZLJANGJVTAI-HNNXBMFYSA-N -2 3 379.486 2.524 20 0 GFADHL CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821043213 606745884 /nfs/dbraw/zinc/74/58/84/606745884.db2.gz NCVZLJANGJVTAI-HNNXBMFYSA-N -2 3 379.486 2.524 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821043987 606747867 /nfs/dbraw/zinc/74/78/67/606747867.db2.gz WTXOHBFWTZZPIJ-MRXNPFEDSA-N -2 3 393.513 2.665 20 0 GFADHL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821043987 606747869 /nfs/dbraw/zinc/74/78/69/606747869.db2.gz WTXOHBFWTZZPIJ-MRXNPFEDSA-N -2 3 393.513 2.665 20 0 GFADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000820541676 606832918 /nfs/dbraw/zinc/83/29/18/606832918.db2.gz IAAXNIPHRKKZKD-SECBINFHSA-N -2 3 382.405 2.703 20 0 GFADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000820541676 606832920 /nfs/dbraw/zinc/83/29/20/606832920.db2.gz IAAXNIPHRKKZKD-SECBINFHSA-N -2 3 382.405 2.703 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820241146 606887419 /nfs/dbraw/zinc/88/74/19/606887419.db2.gz FBVLFORLMCOIAQ-NSHDSACASA-N -2 3 393.419 2.617 20 0 GFADHL O=S(=O)([N-]c1cccnc1Nc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826492871 608012388 /nfs/dbraw/zinc/01/23/88/608012388.db2.gz JCDVBEPNTALHBA-UHFFFAOYSA-N -2 3 393.432 2.806 20 0 GFADHL O=S(=O)([N-]c1cccnc1Nc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826492871 608012389 /nfs/dbraw/zinc/01/23/89/608012389.db2.gz JCDVBEPNTALHBA-UHFFFAOYSA-N -2 3 393.432 2.806 20 0 GFADHL CCSCc1ccnc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000825673802 608057178 /nfs/dbraw/zinc/05/71/78/608057178.db2.gz CRHSPFOXWJSRJG-UHFFFAOYSA-N -2 3 390.494 2.624 20 0 GFADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccc(-c2nnn[n-]2)cn1 ZINC000826451774 608087059 /nfs/dbraw/zinc/08/70/59/608087059.db2.gz VZHLTBLZFJAAQE-UHFFFAOYSA-N -2 3 395.604 2.636 20 0 GFADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccc(-c2nn[n-]n2)cn1 ZINC000826451774 608087060 /nfs/dbraw/zinc/08/70/60/608087060.db2.gz VZHLTBLZFJAAQE-UHFFFAOYSA-N -2 3 395.604 2.636 20 0 GFADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825083264 608095700 /nfs/dbraw/zinc/09/57/00/608095700.db2.gz ZCJNMPKMHCJYKM-NSHDSACASA-N -2 3 387.469 2.712 20 0 GFADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825083264 608095701 /nfs/dbraw/zinc/09/57/01/608095701.db2.gz ZCJNMPKMHCJYKM-NSHDSACASA-N -2 3 387.469 2.712 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)cnc1Cl ZINC000826272250 608107874 /nfs/dbraw/zinc/10/78/74/608107874.db2.gz AIKLWGILYWHURU-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1C ZINC000825081730 608582264 /nfs/dbraw/zinc/58/22/64/608582264.db2.gz MYWFPVQTHIMVDR-VIFPVBQESA-N -2 3 395.876 2.797 20 0 GFADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1C ZINC000825081730 608582265 /nfs/dbraw/zinc/58/22/65/608582265.db2.gz MYWFPVQTHIMVDR-VIFPVBQESA-N -2 3 395.876 2.797 20 0 GFADHL CCCc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000825348735 660422362 /nfs/dbraw/zinc/42/23/62/660422362.db2.gz YJKFMMRAOHYYSS-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL CCCc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000825348735 660422363 /nfs/dbraw/zinc/42/23/63/660422363.db2.gz YJKFMMRAOHYYSS-UHFFFAOYSA-N -2 3 384.874 2.730 20 0 GFADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccc(Br)c(F)c1 ZINC000826492735 660455564 /nfs/dbraw/zinc/45/55/64/660455564.db2.gz ANDDCBCCDNIOBT-UHFFFAOYSA-N -2 3 398.217 2.569 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C1CCCCC1 ZINC000038036707 654617077 /nfs/dbraw/zinc/61/70/77/654617077.db2.gz YPKXPXDNBDBJGC-LLVKDONJSA-N -2 3 382.301 2.822 20 0 GFADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)Cc1cccs1 ZINC000185065964 655362246 /nfs/dbraw/zinc/36/22/46/655362246.db2.gz GAHOQENPVAPVRP-SECBINFHSA-N -2 3 375.418 2.882 20 0 GFADHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][N-]C(=O)c2ccc(Cl)cc2F)c1 ZINC000187010674 655372464 /nfs/dbraw/zinc/37/24/64/655372464.db2.gz RDACDFQXWSRUDH-UHFFFAOYSA-N -2 3 388.207 2.627 20 0 GFADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000189413931 655386336 /nfs/dbraw/zinc/38/63/36/655386336.db2.gz MNKJOIIXKDPFHD-DTWKUNHWSA-N -2 3 380.260 2.987 20 0 GFADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000576855571 655453241 /nfs/dbraw/zinc/45/32/41/655453241.db2.gz ICLNAMIHRPLCOQ-UHFFFAOYSA-N -2 3 376.406 2.797 20 0 GFADHL COC(=O)C1(CS(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])CCCC1 ZINC000578585713 655482275 /nfs/dbraw/zinc/48/22/75/655482275.db2.gz XEPHSAZOWDRIAA-UHFFFAOYSA-N -2 3 375.830 2.513 20 0 GFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC)c1nc(C)cs1 ZINC000579119286 655494433 /nfs/dbraw/zinc/49/44/33/655494433.db2.gz XJYWVXCJKHGSSB-NSHDSACASA-N -2 3 388.442 2.727 20 0 GFADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000768056284 656231518 /nfs/dbraw/zinc/23/15/18/656231518.db2.gz UIIOPUMOJLNIBO-UHFFFAOYSA-N -3 3 390.186 2.793 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c(Cl)cc1Cl ZINC000776570276 656760127 /nfs/dbraw/zinc/76/01/27/656760127.db2.gz ANGLMLXHWDRHNX-LLVKDONJSA-N -2 3 398.264 2.558 20 0 GFADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000780687577 657023201 /nfs/dbraw/zinc/02/32/01/657023201.db2.gz FCAABTASFXUGCL-CQSZACIVSA-N -2 3 393.237 2.650 20 0 GFADHL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-] ZINC000844661907 661432891 /nfs/dbraw/zinc/43/28/91/661432891.db2.gz JREKBUVVWIGNOP-LBPRGKRZSA-N -2 3 385.360 2.764 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846770470 661565429 /nfs/dbraw/zinc/56/54/29/661565429.db2.gz BXJNRUVVPJDJIV-FKTZTGRPSA-N -2 3 381.281 2.802 20 0 GFADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000849457601 661728875 /nfs/dbraw/zinc/72/88/75/661728875.db2.gz JSSPTFYIGUBEDG-KCJUWKMLSA-N -2 3 381.281 2.946 20 0 GFADHL CC[C@@H](CSC)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871933344 662743636 /nfs/dbraw/zinc/74/36/36/662743636.db2.gz MEOVHXILPQGNPL-LURJTMIESA-N -2 3 388.330 2.629 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)c(F)cc1F ZINC000899948902 663703693 /nfs/dbraw/zinc/70/36/93/663703693.db2.gz JVEOQJQJUNDEET-NOEPWBJOSA-N -2 3 391.461 2.681 20 0 GFADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)CCS2 ZINC000899949995 663703977 /nfs/dbraw/zinc/70/39/77/663703977.db2.gz VCUDETZWDKDROT-QMJNDHNRSA-N -2 3 393.889 2.886 20 0 GFADHL O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1cc(Cl)ccn1 ZINC000614288455 532735730 /nfs/dbraw/zinc/73/57/30/532735730.db2.gz QFVIPEZDQOQTRK-UHFFFAOYSA-N -2 3 395.853 2.640 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)c(Cl)c1 ZINC000026538421 551121970 /nfs/dbraw/zinc/12/19/70/551121970.db2.gz VNCKNUDRYYOFBB-UHFFFAOYSA-N -2 3 392.861 2.960 20 0 GFADHL Cc1c2cc(F)ccc2sc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000056134649 551177457 /nfs/dbraw/zinc/17/74/57/551177457.db2.gz NXGGPGPZUOMYHZ-UHFFFAOYSA-N -2 3 386.455 2.824 20 0 GFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)CC(=O)[O-] ZINC000115921902 551210557 /nfs/dbraw/zinc/21/05/57/551210557.db2.gz SHRLJNFQFBVETA-VIFPVBQESA-N -2 3 384.317 2.926 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCC1 ZINC000161826044 551598985 /nfs/dbraw/zinc/59/89/85/551598985.db2.gz YFKYPSQOZNCBFY-UHFFFAOYSA-N -2 3 380.235 2.512 20 0 GFADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CN1C1CC1 ZINC000185104384 552353896 /nfs/dbraw/zinc/35/38/96/552353896.db2.gz GPXAYEWWNBONLV-WCBMZHEXSA-N -2 3 393.292 2.595 20 0 GFADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CN1C1CC1 ZINC000185104983 552354304 /nfs/dbraw/zinc/35/43/04/552354304.db2.gz CHORWCGEBOLRHF-DTWKUNHWSA-N -2 3 393.292 2.595 20 0 GFADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CN1C1CC1 ZINC000185104931 552354332 /nfs/dbraw/zinc/35/43/32/552354332.db2.gz CHORWCGEBOLRHF-BDAKNGLRSA-N -2 3 393.292 2.595 20 0 GFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000263553829 553189479 /nfs/dbraw/zinc/18/94/79/553189479.db2.gz MVCBVQYGCOKSSQ-SNVBAGLBSA-N -2 3 384.679 2.880 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000547576794 564496599 /nfs/dbraw/zinc/49/65/99/564496599.db2.gz VNAHQOOGWWIOOA-YPMHNXCESA-N -2 3 380.235 2.510 20 0 GFADHL O=S(=O)(CCCCF)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000295701518 563258989 /nfs/dbraw/zinc/25/89/89/563258989.db2.gz FIBJGWGMNBZXKP-UHFFFAOYSA-N -2 3 386.470 2.979 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@H]1CCOC2(CCC2)C1 ZINC000372268655 563300647 /nfs/dbraw/zinc/30/06/47/563300647.db2.gz REMRUIJKUISBEL-YGRLFVJLSA-N -2 3 391.848 2.560 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)CC ZINC000316174700 563441749 /nfs/dbraw/zinc/44/17/49/563441749.db2.gz UXCSSMQESUQEHH-ZANVPECISA-N -2 3 394.287 2.625 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318559722 563444109 /nfs/dbraw/zinc/44/41/09/563444109.db2.gz NYCOZFKFUAEDBY-OCCSQVGLSA-N -2 3 394.262 2.900 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@]1(C)CCCS1 ZINC000321193453 563447860 /nfs/dbraw/zinc/44/78/60/563447860.db2.gz STGQZTNMYCLVJN-AWEZNQCLSA-N -2 3 379.887 2.611 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c(F)c1 ZINC000327227529 563457390 /nfs/dbraw/zinc/45/73/90/563457390.db2.gz ALWRLPHGTMPTTA-UHFFFAOYSA-N -2 3 375.324 2.604 20 0 GFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000285090230 563502128 /nfs/dbraw/zinc/50/21/28/563502128.db2.gz LOBWSRIYHTUKAW-QMMMGPOBSA-N -2 3 389.779 2.670 20 0 GFADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(F)(F)F ZINC000285195735 563508427 /nfs/dbraw/zinc/50/84/27/563508427.db2.gz QYBCPABBIDVKOP-SSDOTTSWSA-N -2 3 377.743 2.801 20 0 GFADHL CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000330588122 563512872 /nfs/dbraw/zinc/51/28/72/563512872.db2.gz MQGVJUNRIUIDHO-QWHCGFSZSA-N -2 3 392.518 2.690 20 0 GFADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@](C)(CC)C(=O)[O-] ZINC000388368118 563520422 /nfs/dbraw/zinc/52/04/22/563520422.db2.gz AETBJVMDVYGSHD-CQSZACIVSA-N -2 3 394.287 2.627 20 0 GFADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)CC(=O)[O-] ZINC000392838744 563527744 /nfs/dbraw/zinc/52/77/44/563527744.db2.gz PENFFCYOGARCBK-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1sccc1Br ZINC000436479089 563672139 /nfs/dbraw/zinc/67/21/39/563672139.db2.gz SNJQDGWQXSHWPX-UHFFFAOYSA-N -2 3 392.252 2.804 20 0 GFADHL COc1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c(Cl)cc1C(=O)[O-] ZINC000505827839 564191484 /nfs/dbraw/zinc/19/14/84/564191484.db2.gz SCQAACZCMPASJI-UHFFFAOYSA-N -2 3 387.763 2.668 20 0 GFADHL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000539398382 564218447 /nfs/dbraw/zinc/21/84/47/564218447.db2.gz BTAQXDUFCIWPDJ-UHFFFAOYSA-N -2 3 375.349 2.812 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C(=O)[O-])c1 ZINC000507613586 564234171 /nfs/dbraw/zinc/23/41/71/564234171.db2.gz SIOHEMDAKDPCTD-UHFFFAOYSA-N -3 3 385.781 2.546 20 0 GFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)CC(=O)[O-] ZINC000564808911 564250116 /nfs/dbraw/zinc/25/01/16/564250116.db2.gz CVRAGXATSXGYIU-JTQLQIEISA-N -2 3 383.388 2.842 20 0 GFADHL C[C@@H](CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1)C(=O)[O-] ZINC000540924272 564260128 /nfs/dbraw/zinc/26/01/28/564260128.db2.gz UWWZVLJUTDAFPY-VIFPVBQESA-N -2 3 393.237 2.616 20 0 GFADHL CCOc1ccc(C[C@H](C[N-]S(=O)(=O)c2cc(C)cs2)C(=O)[O-])cc1 ZINC000566177528 564314493 /nfs/dbraw/zinc/31/44/93/564314493.db2.gz UUSPGGUFQRFUHU-CQSZACIVSA-N -2 3 383.491 2.677 20 0 GFADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542840901 564329032 /nfs/dbraw/zinc/32/90/32/564329032.db2.gz DAFJJVKBAIMFTM-SNVBAGLBSA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCCC1 ZINC000567095906 564357174 /nfs/dbraw/zinc/35/71/74/564357174.db2.gz GSOBAQCEMDKJDU-UHFFFAOYSA-N -2 3 382.663 2.778 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000543784648 564363920 /nfs/dbraw/zinc/36/39/20/564363920.db2.gz OMPWEACJPZPLCV-UHFFFAOYSA-N -2 3 381.303 2.923 20 0 GFADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000568750201 564433431 /nfs/dbraw/zinc/43/34/31/564433431.db2.gz ZCIRFUMOTDYVIB-CYBMUJFWSA-N -2 3 394.852 2.605 20 0 GFADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000568940776 564441657 /nfs/dbraw/zinc/44/16/57/564441657.db2.gz OKSAVDPHVJAHJV-XCBNKYQSSA-N -2 3 389.417 2.702 20 0 GFADHL Cc1nc([C@H](C)[N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)sc1C(=O)[O-] ZINC000516058988 564492289 /nfs/dbraw/zinc/49/22/89/564492289.db2.gz UGOAYPXJEWCFDY-VIFPVBQESA-N -2 3 387.483 2.616 20 0 GFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547565793 564495112 /nfs/dbraw/zinc/49/51/12/564495112.db2.gz PKTLKFFKLHBDAF-GXTWGEPZSA-N -2 3 394.262 2.900 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])s1 ZINC000547570941 564495986 /nfs/dbraw/zinc/49/59/86/564495986.db2.gz SGBMIEGCSAXBIU-JOYOIKCWSA-N -2 3 382.301 2.741 20 0 GFADHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c(Cl)c1 ZINC000547589152 564499405 /nfs/dbraw/zinc/49/94/05/564499405.db2.gz PLYUUJWRQYLVBX-AWEZNQCLSA-N -2 3 399.255 2.839 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000547610387 564502306 /nfs/dbraw/zinc/50/23/06/564502306.db2.gz OMXLBYIIPVHMJS-CQSZACIVSA-N -2 3 384.797 2.661 20 0 GFADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000547611296 564502719 /nfs/dbraw/zinc/50/27/19/564502719.db2.gz BBYNQELDDCTNEF-NWDGAFQWSA-N -2 3 390.845 2.950 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000547874046 564515023 /nfs/dbraw/zinc/51/50/23/564515023.db2.gz LPEBWJMQOROLOB-ZYHUDNBSSA-N -2 3 389.857 2.820 20 0 GFADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])s1 ZINC000547940806 564524604 /nfs/dbraw/zinc/52/46/04/564524604.db2.gz ANXLDARSTOCSSZ-NSHDSACASA-N -2 3 395.289 2.733 20 0 GFADHL COc1ccc(Br)c(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c1 ZINC000547964787 564526544 /nfs/dbraw/zinc/52/65/44/564526544.db2.gz LDVQFAGSKIIYOG-VIFPVBQESA-N -2 3 394.287 2.625 20 0 GFADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000548193441 564535171 /nfs/dbraw/zinc/53/51/71/564535171.db2.gz PSSNWKRPLZHNLG-BXKDBHETSA-N -2 3 375.830 2.512 20 0 GFADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCSC1 ZINC000517736088 564541370 /nfs/dbraw/zinc/54/13/70/564541370.db2.gz GJZWIDMZOIYJGU-ZDUSSCGKSA-N -2 3 377.896 2.793 20 0 GFADHL O=C([O-])[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000571381465 564548424 /nfs/dbraw/zinc/54/84/24/564548424.db2.gz AWCIAVKYRZURSX-ZDUSSCGKSA-N -2 3 390.244 2.673 20 0 GFADHL CC(C)(CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000571398381 564549443 /nfs/dbraw/zinc/54/94/43/564549443.db2.gz JBSLSRWYDKDVDT-UHFFFAOYSA-N -2 3 381.226 2.521 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000518526279 564555853 /nfs/dbraw/zinc/55/58/53/564555853.db2.gz TVWHREWFGVPPRK-MLGOLLRUSA-N -2 3 391.873 2.529 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000519799233 564591372 /nfs/dbraw/zinc/59/13/72/564591372.db2.gz YWYMMVQVGPIGNX-GFCCVEGCSA-N -2 3 394.758 2.858 20 0 GFADHL O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000549548725 564598026 /nfs/dbraw/zinc/59/80/26/564598026.db2.gz HAOABUPCVHMRGX-HIFRSBDPSA-N -2 3 393.864 2.542 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000574765847 564687822 /nfs/dbraw/zinc/68/78/22/564687822.db2.gz NNNZJVFWWTVKMA-PWSUYJOCSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCCCC1 ZINC000554432441 564760291 /nfs/dbraw/zinc/76/02/91/564760291.db2.gz FHFAHUOEAFULRA-UHFFFAOYSA-N -2 3 380.388 2.804 20 0 GFADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000554430528 564760439 /nfs/dbraw/zinc/76/04/39/564760439.db2.gz ZDGZTBCHMKBHOY-ZWNOBZJWSA-N -2 3 385.335 2.646 20 0 GFADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000581499965 564805158 /nfs/dbraw/zinc/80/51/58/564805158.db2.gz YRINGGGIFFYXPN-QMMMGPOBSA-N -2 3 398.250 2.519 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000582047045 564828504 /nfs/dbraw/zinc/82/85/04/564828504.db2.gz FTMUFDNDCFCAQS-PSASIEDQSA-N -2 3 396.690 2.882 20 0 GFADHL O=C([O-])c1c(Br)cccc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000530143044 564866488 /nfs/dbraw/zinc/86/64/88/564866488.db2.gz HEWGSTQJZKHXKL-UHFFFAOYSA-N -2 3 376.150 2.841 20 0 GFADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2c[nH]c3ncccc23)C(=O)[O-])sc1Cl ZINC000530541543 564887524 /nfs/dbraw/zinc/88/75/24/564887524.db2.gz NVAKCGUKNMKIJV-LLVKDONJSA-N -2 3 399.881 2.560 20 0 GFADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-])C1CC1 ZINC000558685437 564911734 /nfs/dbraw/zinc/91/17/34/564911734.db2.gz FGBXJJXFRUBDHM-JMCQJSRRSA-N -2 3 396.690 2.880 20 0 GFADHL O=C([O-])[C@H](Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000558879118 564917982 /nfs/dbraw/zinc/91/79/82/564917982.db2.gz YSCLQAUYWDSMOU-ZDUSSCGKSA-N -2 3 393.770 2.732 20 0 GFADHL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1OC ZINC000560007372 564944687 /nfs/dbraw/zinc/94/46/87/564944687.db2.gz MVWLYLBFZVBHED-UHFFFAOYSA-N -2 3 389.788 2.781 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccsc1 ZINC000584326527 565076341 /nfs/dbraw/zinc/07/63/41/565076341.db2.gz JVZBOQMVFLKWGE-MRVPVSSYSA-N -2 3 380.241 2.598 20 0 GFADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000614780464 565131933 /nfs/dbraw/zinc/13/19/33/565131933.db2.gz FGZOPRKBIOIEBJ-UHFFFAOYSA-N -2 3 378.472 2.622 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC[C@H]2CSc3ccccc3O2)c1 ZINC000646057756 565585447 /nfs/dbraw/zinc/58/54/47/565585447.db2.gz MDEPHXATZCKNPY-NSHDSACASA-N -2 3 385.488 2.668 20 0 GFADHL O=C(Cc1ccc(Br)cc1[O-])N=c1nc(C2CCOCC2)[n-]s1 ZINC000629104421 565823264 /nfs/dbraw/zinc/82/32/64/565823264.db2.gz ZINUUBDBGIDJIA-UHFFFAOYSA-N -2 3 398.282 2.503 20 0 GFADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@H](C(=O)[O-])CC2)s1 ZINC000630434181 565901651 /nfs/dbraw/zinc/90/16/51/565901651.db2.gz KCOXOSSNYXMMDY-KYZUINATSA-N -2 3 382.301 2.741 20 0 GFADHL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000610191696 566070292 /nfs/dbraw/zinc/07/02/92/566070292.db2.gz DPVOVGUFOFWVEE-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-])C1CC1 ZINC000656167745 566108462 /nfs/dbraw/zinc/10/84/62/566108462.db2.gz ATEOXMPBQMXRTO-QWHCGFSZSA-N -2 3 382.265 2.540 20 0 GFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1cccs1 ZINC000681556873 566111546 /nfs/dbraw/zinc/11/15/46/566111546.db2.gz FGEMAGHXZCFVDA-VIFPVBQESA-N -2 3 380.369 2.656 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1c(F)cccc1F ZINC000681578443 566114641 /nfs/dbraw/zinc/11/46/41/566114641.db2.gz CLMJHNJSWCTQII-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C1CCC1 ZINC000656513166 566131083 /nfs/dbraw/zinc/13/10/83/566131083.db2.gz RNHVHZRXOPTIBN-NSHDSACASA-N -2 3 382.663 2.634 20 0 GFADHL CSCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737187048 598845343 /nfs/dbraw/zinc/84/53/43/598845343.db2.gz OCKREYCSKXPUEP-UHFFFAOYSA-N -2 3 379.442 2.670 20 0 GFADHL CSCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737187048 598845345 /nfs/dbraw/zinc/84/53/45/598845345.db2.gz OCKREYCSKXPUEP-UHFFFAOYSA-N -2 3 379.442 2.670 20 0 GFADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)C1CCCCC1 ZINC000737297886 598976564 /nfs/dbraw/zinc/97/65/64/598976564.db2.gz DMJRGBVUNLPOGL-ZDUSSCGKSA-N -2 3 391.497 2.587 20 0 GFADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)C1CCCCC1 ZINC000737297886 598976566 /nfs/dbraw/zinc/97/65/66/598976566.db2.gz DMJRGBVUNLPOGL-ZDUSSCGKSA-N -2 3 391.497 2.587 20 0 GFADHL O=S(=O)([N-]c1nc2ccsc2s1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000738340106 599286785 /nfs/dbraw/zinc/28/67/85/599286785.db2.gz SZFPTDDFYJZSHZ-UHFFFAOYSA-N -2 3 398.882 2.992 20 0 GFADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000738341021 598595973 /nfs/dbraw/zinc/59/59/73/598595973.db2.gz CHNCFMWJEDGMBR-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000738341021 598595975 /nfs/dbraw/zinc/59/59/75/598595975.db2.gz CHNCFMWJEDGMBR-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738345494 598608094 /nfs/dbraw/zinc/60/80/94/598608094.db2.gz OQTUGYMYJFQAHU-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL O=C([O-])c1cc(C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)nc2ccccc21 ZINC000738215531 599462226 /nfs/dbraw/zinc/46/22/26/599462226.db2.gz RRRVOVHQIDHNMM-SREVYHEPSA-N -2 3 383.371 2.931 20 0 GFADHL O=C([O-])c1cc(C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)nc2ccccc21 ZINC000738215531 599462229 /nfs/dbraw/zinc/46/22/29/599462229.db2.gz RRRVOVHQIDHNMM-SREVYHEPSA-N -2 3 383.371 2.931 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1C(=O)[O-] ZINC000737211156 599747392 /nfs/dbraw/zinc/74/73/92/599747392.db2.gz WZEPVBKCWCIJGV-UHFFFAOYSA-N -3 3 379.390 2.591 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-n3cnc4ccccc43)cc2)o1 ZINC000740176458 599776047 /nfs/dbraw/zinc/77/60/47/599776047.db2.gz FIOZDFWLZSDBIA-UHFFFAOYSA-N -2 3 397.412 2.795 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCCC3)c2)o1 ZINC000578745416 599776644 /nfs/dbraw/zinc/77/66/44/599776644.db2.gz SWTPLMNEYKDDBP-UHFFFAOYSA-N -2 3 380.422 2.563 20 0 GFADHL COc1ccc(-c2cc3[n-]c(CN(C)C(C)(C)C(=O)[O-])nc(=O)c3s2)cc1 ZINC000737909924 600137698 /nfs/dbraw/zinc/13/76/98/600137698.db2.gz NFAQCTDTVGDBOW-UHFFFAOYSA-N -2 3 387.461 2.955 20 0 GFADHL O=C([O-])c1sc2ccccc2c1COC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000739298472 600164567 /nfs/dbraw/zinc/16/45/67/600164567.db2.gz RZIVSVDPVYUFMD-UHFFFAOYSA-N -2 3 385.397 2.778 20 0 GFADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000737030409 600236551 /nfs/dbraw/zinc/23/65/51/600236551.db2.gz WAXOAXNJRSPYDQ-UHFFFAOYSA-N -2 3 381.381 2.892 20 0 GFADHL C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc2)CCO1 ZINC000736827419 600256371 /nfs/dbraw/zinc/25/63/71/600256371.db2.gz SMIPBASYKQFQRR-LBPRGKRZSA-N -2 3 394.424 2.550 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCO[C@H]2CCCc3ccccc32)o1 ZINC000580070376 600311999 /nfs/dbraw/zinc/31/19/99/600311999.db2.gz DMQDCHDJOPQEPK-HNNXBMFYSA-N -2 3 379.434 2.740 20 0 GFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)s1 ZINC000739710256 600556205 /nfs/dbraw/zinc/55/62/05/600556205.db2.gz FRPZZLLUAHHVJG-UHFFFAOYSA-N -2 3 381.414 2.502 20 0 GFADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)ccc1C(=O)[O-] ZINC000831328776 600689489 /nfs/dbraw/zinc/68/94/89/600689489.db2.gz YHWKLXLTEZUNNE-UHFFFAOYSA-N -2 3 393.417 2.598 20 0 GFADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000055643625 600811445 /nfs/dbraw/zinc/81/14/45/600811445.db2.gz XBIWLHOPKCUNNF-UHFFFAOYSA-N -2 3 379.434 2.828 20 0 GFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1C(=O)[O-] ZINC000749161523 600814654 /nfs/dbraw/zinc/81/46/54/600814654.db2.gz BMOLHLWDIABDRI-UHFFFAOYSA-N -2 3 392.824 2.728 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)ccc1C(=O)[O-] ZINC000671658007 600888413 /nfs/dbraw/zinc/88/84/13/600888413.db2.gz GCTNINPWUURODF-UHFFFAOYSA-N -2 3 388.445 2.616 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)ccc1O ZINC000740090494 600897218 /nfs/dbraw/zinc/89/72/18/600897218.db2.gz WKYJMAVTHHXDBH-UHFFFAOYSA-N -2 3 375.324 2.996 20 0 GFADHL O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cc(I)ccc2[O-])C1 ZINC000833185693 601210879 /nfs/dbraw/zinc/21/08/79/601210879.db2.gz IADNZPOPHYVBRT-DTWKUNHWSA-N -2 3 389.189 2.826 20 0 GFADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(Br)ccc2F)cc1C(=O)[O-] ZINC000833027487 601216309 /nfs/dbraw/zinc/21/63/09/601216309.db2.gz UTSSTELPWHOAIM-UHFFFAOYSA-N -2 3 392.202 2.666 20 0 GFADHL Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000832981913 601233866 /nfs/dbraw/zinc/23/38/66/601233866.db2.gz OHWWYILSNPUYKO-UHFFFAOYSA-N -2 3 381.400 2.982 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)c1F ZINC000833295363 601237581 /nfs/dbraw/zinc/23/75/81/601237581.db2.gz SFLHPWYJTARGKL-CQSZACIVSA-N -2 3 381.400 2.963 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2cc3ccccc3o2)c1F ZINC000833294017 601238910 /nfs/dbraw/zinc/23/89/10/601238910.db2.gz LLOHKJBSFRUAIP-UHFFFAOYSA-N -2 3 381.356 2.930 20 0 GFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)c1F ZINC000833294786 601238992 /nfs/dbraw/zinc/23/89/92/601238992.db2.gz WUKGJVWNQAZDJT-UHFFFAOYSA-N -2 3 397.399 2.930 20 0 GFADHL CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCC1 ZINC000829917519 601240597 /nfs/dbraw/zinc/24/05/97/601240597.db2.gz GZFVOLOZVBJASH-ZDUSSCGKSA-N -2 3 391.436 2.927 20 0 GFADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000828805034 601268068 /nfs/dbraw/zinc/26/80/68/601268068.db2.gz ZEKGCNQQIQECGN-UHFFFAOYSA-N -2 3 382.251 2.900 20 0 GFADHL CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000826699175 601382808 /nfs/dbraw/zinc/38/28/08/601382808.db2.gz FDQCTSKMKFWXBG-OAHLLOKOSA-N -2 3 397.859 2.515 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)ccc1Cl ZINC000757471114 601827722 /nfs/dbraw/zinc/82/77/22/601827722.db2.gz BYINUSAZNYKWAL-UHFFFAOYSA-N -2 3 387.772 2.765 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc(OCCCC(=O)[O-])cc2)c(F)cc1F ZINC000832903467 601835648 /nfs/dbraw/zinc/83/56/48/601835648.db2.gz GQWFPLCYZWUWKK-UHFFFAOYSA-N -2 3 399.415 2.995 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc(F)c1F ZINC000751141515 601840914 /nfs/dbraw/zinc/84/09/14/601840914.db2.gz DQIIAWTUIFGPCG-UHFFFAOYSA-N -2 3 397.334 2.789 20 0 GFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1F ZINC000548531695 601882283 /nfs/dbraw/zinc/88/22/83/601882283.db2.gz VHXMFGIJWRAYHR-MRXNPFEDSA-N -2 3 394.399 2.729 20 0 GFADHL CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000235172381 602156512 /nfs/dbraw/zinc/15/65/12/602156512.db2.gz FGAGSWZVKSLKGX-HTQZYQBOSA-N -2 3 398.300 2.693 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1noc(-c2ccccc2)n1 ZINC000827754982 602172566 /nfs/dbraw/zinc/17/25/66/602172566.db2.gz OKFULCFPWUHXOV-SECBINFHSA-N -2 3 379.419 2.536 20 0 GFADHL Cc1ccc(NC(=O)[C@H](C)CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000832942732 602266625 /nfs/dbraw/zinc/26/66/25/602266625.db2.gz KELBNDREMQYBAA-GFCCVEGCSA-N -2 3 394.424 2.984 20 0 GFADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000740712908 602645680 /nfs/dbraw/zinc/64/56/80/602645680.db2.gz ICNMXFCBDUEKQL-UHFFFAOYSA-N -3 3 376.390 2.764 20 0 GFADHL O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000740610783 603068560 /nfs/dbraw/zinc/06/85/60/603068560.db2.gz BSWDEFMWCRAACC-SNVBAGLBSA-N -2 3 386.779 2.683 20 0 GFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1NC(=O)[O-] ZINC000739924945 603192829 /nfs/dbraw/zinc/19/28/29/603192829.db2.gz FCXXJQLXYKJLLK-UHFFFAOYSA-N -2 3 393.421 2.853 20 0 GFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](CNC(=O)[O-])c3ccccc3)cc2)n1 ZINC000829894632 603410660 /nfs/dbraw/zinc/41/06/60/603410660.db2.gz VLIFGCGRBDRTDK-KRWDZBQOSA-N -2 3 392.415 2.735 20 0 GFADHL Cc1nc(C)c(CC(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c(=O)[n-]1 ZINC000833754713 604888273 /nfs/dbraw/zinc/88/82/73/604888273.db2.gz DQAUJQFRCCJAKD-AWEZNQCLSA-N -2 3 384.310 2.887 20 0 GFADHL C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)cc2)CCO1 ZINC000749143960 605164562 /nfs/dbraw/zinc/16/45/62/605164562.db2.gz CPAIMTJQSUTQBX-LBPRGKRZSA-N -2 3 394.424 2.550 20 0 GFADHL CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833642215 605300701 /nfs/dbraw/zinc/30/07/01/605300701.db2.gz IDFZXJUYIRUECN-WCQYABFASA-N -2 3 391.436 2.925 20 0 GFADHL O=C([O-])Nc1cc2c(cc1[N-]S(=O)(=O)Cc1ccc(F)cc1F)OCO2 ZINC000834257091 605757182 /nfs/dbraw/zinc/75/71/82/605757182.db2.gz RWEZDCJXZOKHIG-UHFFFAOYSA-N -2 3 386.332 2.725 20 0 GFADHL O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823556812 606338094 /nfs/dbraw/zinc/33/80/94/606338094.db2.gz AHVIMLWVCGUNSV-BQYQJAHWSA-N -2 3 377.813 2.638 20 0 GFADHL O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589416 606636971 /nfs/dbraw/zinc/63/69/71/606636971.db2.gz YSONXEMQHDWVEY-UHFFFAOYSA-N -2 3 387.318 2.825 20 0 GFADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822240252 606788211 /nfs/dbraw/zinc/78/82/11/606788211.db2.gz ZIXLLEIVUQYCPR-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822240252 606788213 /nfs/dbraw/zinc/78/82/13/606788213.db2.gz ZIXLLEIVUQYCPR-UHFFFAOYSA-N -2 3 385.783 2.908 20 0 GFADHL COc1ccc(-c2nc(SC/C=C/Cl)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821733030 607160920 /nfs/dbraw/zinc/16/09/20/607160920.db2.gz YLOUNGDYRADPKC-FARCUNLSSA-N -2 3 376.829 2.883 20 0 GFADHL O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826493101 607849190 /nfs/dbraw/zinc/84/91/90/607849190.db2.gz UALLYCUKOLWXMK-UHFFFAOYSA-N -2 3 396.407 2.869 20 0 GFADHL O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826492730 607849301 /nfs/dbraw/zinc/84/93/01/607849301.db2.gz AHRUJSJZVQHYOO-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826492730 607849302 /nfs/dbraw/zinc/84/93/02/607849302.db2.gz AHRUJSJZVQHYOO-UHFFFAOYSA-N -2 3 378.417 2.730 20 0 GFADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000825081858 608582273 /nfs/dbraw/zinc/58/22/73/608582273.db2.gz NXDDIAYETDLLAD-VIFPVBQESA-N -2 3 395.876 2.797 20 0 GFADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000825081858 608582274 /nfs/dbraw/zinc/58/22/74/608582274.db2.gz NXDDIAYETDLLAD-VIFPVBQESA-N -2 3 395.876 2.797 20 0 GFADHL Cc1cc(C(=O)Nc2cccc(Cl)c2[O-])nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260467 609155903 /nfs/dbraw/zinc/15/59/03/609155903.db2.gz PEOSWNFRFRACTG-UHFFFAOYSA-N -2 3 395.810 2.972 20 0 GFADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826300001 609156587 /nfs/dbraw/zinc/15/65/87/609156587.db2.gz DIFIDDVOMPYXNC-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826300001 609156588 /nfs/dbraw/zinc/15/65/88/609156588.db2.gz DIFIDDVOMPYXNC-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825654112 609526081 /nfs/dbraw/zinc/52/60/81/609526081.db2.gz OPHCTZWYNLTJBW-UHFFFAOYSA-N -2 3 379.829 2.720 20 0 GFADHL CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825654112 609526083 /nfs/dbraw/zinc/52/60/83/609526083.db2.gz OPHCTZWYNLTJBW-UHFFFAOYSA-N -2 3 379.829 2.720 20 0 GFADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)ccc2o1 ZINC000826328910 609526481 /nfs/dbraw/zinc/52/64/81/609526481.db2.gz JAQZEEUKTCZWSV-UHFFFAOYSA-N -2 3 390.812 2.771 20 0 GFADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)ccc2o1 ZINC000826328910 609526483 /nfs/dbraw/zinc/52/64/83/609526483.db2.gz JAQZEEUKTCZWSV-UHFFFAOYSA-N -2 3 390.812 2.771 20 0 GFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)cc1Cl ZINC000826211884 660451494 /nfs/dbraw/zinc/45/14/94/660451494.db2.gz YKKZBFNWYLKKCR-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL Cc1[nH]nc([N-]S(=O)(=O)c2csc3ccc(Cl)cc23)c1-c1nnn[n-]1 ZINC000826322407 660453125 /nfs/dbraw/zinc/45/31/25/660453125.db2.gz LEFFFVAOJSIPOG-UHFFFAOYSA-N -2 3 395.857 2.567 20 0 GFADHL Cc1ccc(C([O-])=CCC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)s1 ZINC000014371866 654506439 /nfs/dbraw/zinc/50/64/39/654506439.db2.gz NSZUYQRNHUIQME-UHFFFAOYSA-N -2 3 375.475 2.976 20 0 GFADHL CC(C)(CCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837290273 660982739 /nfs/dbraw/zinc/98/27/39/660982739.db2.gz SKJSVUKMXBRSFL-UHFFFAOYSA-N -2 3 399.694 2.667 20 0 GFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000837294120 660983875 /nfs/dbraw/zinc/98/38/75/660983875.db2.gz YMVGLCHAUGOTEU-SECBINFHSA-N -2 3 398.250 2.519 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCC[C@H]2CCOC2)c1 ZINC000840895041 661201797 /nfs/dbraw/zinc/20/17/97/661201797.db2.gz HEBYRLDPFJPGDD-VIFPVBQESA-N -2 3 382.265 2.787 20 0 GFADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)CCC2)n1 ZINC000761291947 656008398 /nfs/dbraw/zinc/00/83/98/656008398.db2.gz JJXNMMKOYXJJMB-UHFFFAOYSA-N -2 3 384.454 2.955 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(Cl)cc1F ZINC000768056846 656231477 /nfs/dbraw/zinc/23/14/77/656231477.db2.gz UWOUSEPIYQGWMY-UHFFFAOYSA-N -2 3 377.752 2.911 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)Cc1cccc(Cl)c1 ZINC000776532785 656753214 /nfs/dbraw/zinc/75/32/14/656753214.db2.gz GTOPFYLQXUEDTG-LLVKDONJSA-N -2 3 389.260 2.610 20 0 GFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)Cc1ccccc1Cl ZINC000776536347 656753797 /nfs/dbraw/zinc/75/37/97/656753797.db2.gz CTNZCYPVUYZXAB-NSHDSACASA-N -2 3 389.260 2.610 20 0 GFADHL Cc1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)n1 ZINC000794915569 658636190 /nfs/dbraw/zinc/63/61/90/658636190.db2.gz JCBCYFYQBAQAHD-UHFFFAOYSA-N -2 3 389.260 2.916 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCOCC2CCC2)c1 ZINC000843287902 661375833 /nfs/dbraw/zinc/37/58/33/661375833.db2.gz HHUGLBHYIIEELT-UHFFFAOYSA-N -2 3 382.265 2.787 20 0 GFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000844898458 661447676 /nfs/dbraw/zinc/44/76/76/661447676.db2.gz LIXKYSSPLGGGHD-CMPLNLGQSA-N -2 3 394.276 2.928 20 0 GFADHL O=C([N-]OCc1ccc(F)cc1Br)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847849770 661613123 /nfs/dbraw/zinc/61/31/23/661613123.db2.gz RGJCDOXEZCIVRO-UHFFFAOYSA-N -2 3 382.189 2.823 20 0 GFADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000853069997 661880633 /nfs/dbraw/zinc/88/06/33/661880633.db2.gz UOJXJGVTDFERJP-SECBINFHSA-N -2 3 380.647 2.554 20 0 GFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@](C)(C(=O)[O-])C2)c1Cl ZINC000906011693 663908454 /nfs/dbraw/zinc/90/84/54/663908454.db2.gz ULIWLSAXWQPBOQ-XPTSAGLGSA-N -2 3 382.265 2.602 20 0 GFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1C ZINC000026541659 551121955 /nfs/dbraw/zinc/12/19/55/551121955.db2.gz BVLQFYZZNCWHLM-UHFFFAOYSA-N -2 3 382.825 2.555 20 0 GFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000047906593 551154349 /nfs/dbraw/zinc/15/43/49/551154349.db2.gz DLXREQQNTKXYAH-UHFFFAOYSA-N -2 3 386.223 2.713 20 0 GFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000123915616 551309828 /nfs/dbraw/zinc/30/98/28/551309828.db2.gz PMXUNRVGOFYVCV-QMMMGPOBSA-N -2 3 384.679 2.882 20 0 GFADHL Cc1cc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)sc1Br ZINC000164940680 551627826 /nfs/dbraw/zinc/62/78/26/551627826.db2.gz QVZMKYRVHQCMOQ-UHFFFAOYSA-N -2 3 382.301 2.742 20 0 GFADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000569300529 564457126 /nfs/dbraw/zinc/45/71/26/564457126.db2.gz GLWOTZISASEYIY-UHFFFAOYSA-N -2 3 381.262 2.935 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cc1Cl ZINC000371369312 563275266 /nfs/dbraw/zinc/27/52/66/563275266.db2.gz NPZXMZIYAGOKFV-UHFFFAOYSA-N -2 3 378.797 2.624 20 0 GFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000318149707 563443070 /nfs/dbraw/zinc/44/30/70/563443070.db2.gz WFPJZLTUWRVCCJ-JSGCOSHPSA-N -2 3 394.262 2.900 20 0 GFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000321593712 563448945 /nfs/dbraw/zinc/44/89/45/563448945.db2.gz PXPNDYSETQHBGS-UHFFFAOYSA-N -2 3 375.752 2.668 20 0 GFADHL CCc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1C(=O)[O-] ZINC000327376200 563458057 /nfs/dbraw/zinc/45/80/57/563458057.db2.gz NCBSRSURGTVCQI-UHFFFAOYSA-N -2 3 382.825 2.500 20 0 GFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)s1 ZINC000377352560 563471342 /nfs/dbraw/zinc/47/13/42/563471342.db2.gz NMJWVGZHKHWSMP-UKRRQHHQSA-N -2 3 381.475 2.574 20 0 GFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000427681433 563472521 /nfs/dbraw/zinc/47/25/21/563472521.db2.gz COSKKXYXZYDTQL-VIFPVBQESA-N -2 3 387.351 2.750 20 0 GFADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000388594897 563521328 /nfs/dbraw/zinc/52/13/28/563521328.db2.gz IVUXSQHGAGJEJP-UHFFFAOYSA-N -2 3 394.287 2.627 20 0 GFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-])c1Cl ZINC000392432434 563526811 /nfs/dbraw/zinc/52/68/11/563526811.db2.gz ZJOVECCHYCGEDW-SNVBAGLBSA-N -3 3 398.264 2.597 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)CC1CC1 ZINC000405211795 563538073 /nfs/dbraw/zinc/53/80/73/563538073.db2.gz IKLKUHIIKANFFE-SECBINFHSA-N -2 3 396.690 2.882 20 0 GFADHL NC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436477244 563671306 /nfs/dbraw/zinc/67/13/06/563671306.db2.gz IDICBYPDPFJVDS-UHFFFAOYSA-N -2 3 375.328 2.702 20 0 GFADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439568105 563728760 /nfs/dbraw/zinc/72/87/60/563728760.db2.gz HZLXVVNWXHSFME-UHFFFAOYSA-N -2 3 397.503 2.777 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)Oc1cc(F)cc(F)c1 ZINC000505803617 564190771 /nfs/dbraw/zinc/19/07/71/564190771.db2.gz UCVGZJOEEGVEKZ-UHFFFAOYSA-N -2 3 391.417 2.860 20 0 GFADHL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000507568981 564232917 /nfs/dbraw/zinc/23/29/17/564232917.db2.gz VLPLEUUMTQMCAW-SNVBAGLBSA-N -3 3 381.431 2.751 20 0 GFADHL CCC[C@H](CC)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451130235 564278674 /nfs/dbraw/zinc/27/86/74/564278674.db2.gz LKXUUDGPUBEHIB-LBPRGKRZSA-N -2 3 380.507 2.834 20 0 GFADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])c1ccc(C)o1 ZINC000565655317 564290088 /nfs/dbraw/zinc/29/00/88/564290088.db2.gz QHTFKUBTHUKRDM-CYBMUJFWSA-N -2 3 387.841 2.996 20 0 GFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000566007701 564305516 /nfs/dbraw/zinc/30/55/16/564305516.db2.gz ODBVJRFNSPOLHU-GXFFZTMASA-N -2 3 391.511 2.575 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C)c1csnn1 ZINC000566316801 564323167 /nfs/dbraw/zinc/32/31/67/564323167.db2.gz PWUWLVSHLOBLKG-SSDOTTSWSA-N -2 3 375.497 2.635 20 0 GFADHL CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000451735307 564346198 /nfs/dbraw/zinc/34/61/98/564346198.db2.gz DEAVBGSKWOJIEJ-GFCCVEGCSA-N -2 3 378.491 2.610 20 0 GFADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(C)(C)C2CCC2)c(F)c1 ZINC000451872737 564361170 /nfs/dbraw/zinc/36/11/70/564361170.db2.gz UBVFSCGSTAYNLC-UHFFFAOYSA-N -2 3 392.518 2.834 20 0 GFADHL Cc1oc(C[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1C(=O)[O-] ZINC000543784192 564363847 /nfs/dbraw/zinc/36/38/47/564363847.db2.gz HHZFMMRUUFSWMT-MRVPVSSYSA-N -2 3 385.825 2.742 20 0 GFADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000543787173 564364025 /nfs/dbraw/zinc/36/40/25/564364025.db2.gz KDCKXSXRYZNNSN-UHFFFAOYSA-N -2 3 375.233 2.608 20 0 GFADHL CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1 ZINC000567585075 564378670 /nfs/dbraw/zinc/37/86/70/564378670.db2.gz MZKPEEMKQXPPMA-UWVGGRQHSA-N -2 3 379.525 2.798 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@@H]1CCC[C@@H](C)C1 ZINC000452087266 564389632 /nfs/dbraw/zinc/38/96/32/564389632.db2.gz NWKDVDIZFWFFAF-FRRDWIJNSA-N -2 3 392.518 2.690 20 0 GFADHL CS(=O)(=O)c1nc([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)n[n-]1 ZINC000512587219 564406979 /nfs/dbraw/zinc/40/69/79/564406979.db2.gz NKWWNXKNGZLZKN-UHFFFAOYSA-N -2 3 391.261 2.982 20 0 GFADHL CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000479467756 564441644 /nfs/dbraw/zinc/44/16/44/564441644.db2.gz LQUWTCSUYXZMQW-UHFFFAOYSA-N -2 3 385.829 2.906 20 0 GFADHL Cc1csc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000569082191 564448178 /nfs/dbraw/zinc/44/81/78/564448178.db2.gz NXEAKEICUZXDNK-CQSZACIVSA-N -2 3 380.491 2.702 20 0 GFADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000547556057 564494151 /nfs/dbraw/zinc/49/41/51/564494151.db2.gz YGNSXNGAGLVDDV-NSHDSACASA-N -2 3 388.898 2.581 20 0 GFADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000547556492 564494431 /nfs/dbraw/zinc/49/44/31/564494431.db2.gz UZDAOTCJWLFGMM-UHFFFAOYSA-N -2 3 395.289 2.598 20 0 GFADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000547598730 564501117 /nfs/dbraw/zinc/50/11/17/564501117.db2.gz LWCYSJYGPXDTPW-CQSZACIVSA-N -2 3 385.873 2.687 20 0 GFADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000547615393 564503101 /nfs/dbraw/zinc/50/31/01/564503101.db2.gz MJAMSQBEACDCNB-LBPRGKRZSA-N -2 3 381.878 2.910 20 0 GFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC000547870033 564514455 /nfs/dbraw/zinc/51/44/55/564514455.db2.gz TUXWLYWEQNYXAJ-UHFFFAOYSA-N -2 3 386.788 2.937 20 0 GFADHL Cc1nc(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)sc1C(=O)[O-] ZINC000547879368 564514869 /nfs/dbraw/zinc/51/48/69/564514869.db2.gz BGGBCJURGLQXIG-UHFFFAOYSA-N -2 3 392.861 2.853 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547938057 564523610 /nfs/dbraw/zinc/52/36/10/564523610.db2.gz LUQCIYVWGWDMOT-NEPJUHHUSA-N -2 3 391.287 2.546 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000517793390 564542199 /nfs/dbraw/zinc/54/21/99/564542199.db2.gz SHNZPUZYOMXMHY-JTQLQIEISA-N -2 3 379.381 2.914 20 0 GFADHL Cc1cc(CS(=O)(=O)[N-][C@H](C(=O)[O-])c2c(Cl)cccc2Cl)on1 ZINC000548261626 564544634 /nfs/dbraw/zinc/54/46/34/564544634.db2.gz GZVDWAUIZLHMFG-LBPRGKRZSA-N -2 3 379.221 2.535 20 0 GFADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000548535616 564556855 /nfs/dbraw/zinc/55/68/55/564556855.db2.gz PTDFXHSKLCZIPV-LLVKDONJSA-N -2 3 388.239 2.927 20 0 GFADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548591790 564564541 /nfs/dbraw/zinc/56/45/41/564564541.db2.gz ONARZUDZZGRUDL-NEPJUHHUSA-N -2 3 380.388 2.802 20 0 GFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1F ZINC000489631953 564746770 /nfs/dbraw/zinc/74/67/70/564746770.db2.gz OSZBOSZTFIVHHU-UHFFFAOYSA-N -2 3 375.324 2.969 20 0 GFADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000554430518 564760650 /nfs/dbraw/zinc/76/06/50/564760650.db2.gz ZDGZTBCHMKBHOY-GWCFXTLKSA-N -2 3 385.335 2.646 20 0 GFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2OC(F)F)c1 ZINC000555859141 564807224 /nfs/dbraw/zinc/80/72/24/564807224.db2.gz LTVBPQONWUDNCQ-MNOVXSKESA-N -2 3 389.401 2.882 20 0 GFADHL COc1cc([N-]S(=O)(=O)CCC(F)(F)F)c(C(=O)[O-])cc1OC(F)F ZINC000555971544 564810541 /nfs/dbraw/zinc/81/05/41/564810541.db2.gz LXSKWVBRJCAJJZ-UHFFFAOYSA-N -2 3 393.286 2.689 20 0 GFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000581773236 564817522 /nfs/dbraw/zinc/81/75/22/564817522.db2.gz GHQHHBJOWIKRPI-SECBINFHSA-N -2 3 382.251 2.818 20 0 GFADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000530367381 564877675 /nfs/dbraw/zinc/87/76/75/564877675.db2.gz FDMXDAIJCNOMDW-NSHDSACASA-N -2 3 380.235 2.510 20 0 GFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(F)(F)F ZINC000583887612 564911842 /nfs/dbraw/zinc/91/18/42/564911842.db2.gz HEYUTLFRCBHYKB-QMMMGPOBSA-N -2 3 377.743 2.552 20 0 GFADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000584097645 564920901 /nfs/dbraw/zinc/92/09/01/564920901.db2.gz DRMOVLLYCWOQQW-MRVPVSSYSA-N -2 3 384.679 2.882 20 0 GFADHL CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000533008093 564951754 /nfs/dbraw/zinc/95/17/54/564951754.db2.gz NCCUUUDGZHDAAX-VIFPVBQESA-N -2 3 381.226 2.616 20 0 GFADHL O=C([O-])[C@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000562843999 565045364 /nfs/dbraw/zinc/04/53/64/565045364.db2.gz ZDTJAWRRAYDXKA-AWEZNQCLSA-N -2 3 389.807 2.983 20 0 GFADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Br)cc1[O-] ZINC000636320419 565106667 /nfs/dbraw/zinc/10/66/67/565106667.db2.gz MURPBUOPJTYSMH-UHFFFAOYSA-N -2 3 378.226 2.848 20 0 GFADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Br)c(F)cc1[O-] ZINC000636321804 565107169 /nfs/dbraw/zinc/10/71/69/565107169.db2.gz XPOXLMKZOMYTEE-UHFFFAOYSA-N -2 3 396.216 2.987 20 0 GFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c[n-]1 ZINC000585730215 565108264 /nfs/dbraw/zinc/10/82/64/565108264.db2.gz FAJOUAJPFWDMFP-UHFFFAOYSA-N -2 3 377.344 2.714 20 0 GFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)[n-]1 ZINC000585730215 565108269 /nfs/dbraw/zinc/10/82/69/565108269.db2.gz FAJOUAJPFWDMFP-UHFFFAOYSA-N -2 3 377.344 2.714 20 0 GFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650392377 565816814 /nfs/dbraw/zinc/81/68/14/565816814.db2.gz CJXHLXOVZPLDFA-SNVBAGLBSA-N -2 3 375.752 2.626 20 0 GFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650406287 565818353 /nfs/dbraw/zinc/81/83/53/565818353.db2.gz JYKBENVNJAPEQP-VIFPVBQESA-N -2 3 389.779 2.874 20 0 GFADHL C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653492986 565969357 /nfs/dbraw/zinc/96/93/57/565969357.db2.gz GFTOQSIVMJFIOF-LPEHRKFASA-N -2 3 380.388 2.514 20 0 GFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1cccs1 ZINC000681556870 566111474 /nfs/dbraw/zinc/11/14/74/566111474.db2.gz FGEMAGHXZCFVDA-SECBINFHSA-N -2 3 380.369 2.656 20 0 GFADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000656181589 566111538 /nfs/dbraw/zinc/11/15/38/566111538.db2.gz UOKUWPLCTPHZPQ-RKDXNWHRSA-N -2 3 387.401 2.533 20 0 GFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cc(F)ccc1F ZINC000681566507 566112571 /nfs/dbraw/zinc/11/25/71/566112571.db2.gz DXQLKSUVZONNHV-CYBMUJFWSA-N -2 3 379.743 2.862 20 0 GFADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c[nH]1 ZINC000681570287 566113697 /nfs/dbraw/zinc/11/36/97/566113697.db2.gz FKSQULHPKXFJDS-LBPRGKRZSA-N -2 3 385.873 2.723 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)cs1 ZINC000656716392 566156791 /nfs/dbraw/zinc/15/67/91/566156791.db2.gz DKICOTRMMNQXLT-LLVKDONJSA-N -2 3 387.401 2.615 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Br)CC(=O)[O-] ZINC000683140152 566184310 /nfs/dbraw/zinc/18/43/10/566184310.db2.gz FBGADYOVPZTZSN-UHFFFAOYSA-N -2 3 384.679 2.882 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c2ccccc12 ZINC000736650668 598637453 /nfs/dbraw/zinc/63/74/53/598637453.db2.gz GSVAVSPYJWZLHC-UHFFFAOYSA-N -2 3 396.432 2.614 20 0 GFADHL COc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737152980 599560122 /nfs/dbraw/zinc/56/01/22/599560122.db2.gz VYMYZSPCPODURM-UHFFFAOYSA-N -2 3 399.354 2.695 20 0 GFADHL COc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000737152980 599560124 /nfs/dbraw/zinc/56/01/24/599560124.db2.gz VYMYZSPCPODURM-UHFFFAOYSA-N -2 3 399.354 2.695 20 0 GFADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC000476760191 599747099 /nfs/dbraw/zinc/74/70/99/599747099.db2.gz NXNCMWXCYJSPNS-UHFFFAOYSA-N -3 3 379.390 2.591 20 0 GFADHL C[C@H](COc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000578863989 599774491 /nfs/dbraw/zinc/77/44/91/599774491.db2.gz ZUSPLECGHVNBBG-SECBINFHSA-N -2 3 393.339 2.742 20 0 GFADHL CSc1ccc([C@@H](CC(=O)[O-])N/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000738202569 599850168 /nfs/dbraw/zinc/85/01/68/599850168.db2.gz IACUXPYXQPVZJS-ZFOVBUMHSA-N -2 3 382.441 2.825 20 0 GFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1cccc(F)c1 ZINC000739502956 599979989 /nfs/dbraw/zinc/97/99/89/599979989.db2.gz RIVNDPNZMFUUSP-SNVBAGLBSA-N -2 3 377.846 2.762 20 0 GFADHL O=C([O-])c1ccc(NC(=O)COC(=O)c2cccc(Br)c2[O-])cc1 ZINC000738470742 600109695 /nfs/dbraw/zinc/10/96/95/600109695.db2.gz MIJWRGZTHWCCRF-UHFFFAOYSA-N -2 3 394.177 2.648 20 0 GFADHL O=C([O-])[C@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1Cl ZINC000833351844 600664217 /nfs/dbraw/zinc/66/42/17/600664217.db2.gz VNXWBGIOVDMIJI-CYBMUJFWSA-N -2 3 394.166 2.860 20 0 GFADHL C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000832730730 600684327 /nfs/dbraw/zinc/68/43/27/600684327.db2.gz UEDXERMTWZUJCK-QFIPXVFZSA-N -2 3 393.895 2.779 20 0 GFADHL CCN(CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1cccc(C)c1 ZINC000829713415 600993686 /nfs/dbraw/zinc/99/36/86/600993686.db2.gz GMVGBFFEPOOAEP-UHFFFAOYSA-N -2 3 398.431 2.776 20 0 GFADHL Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2)n[nH]1 ZINC000466281187 601205366 /nfs/dbraw/zinc/20/53/66/601205366.db2.gz OYRLIZYYYKJSLV-UHFFFAOYSA-N -2 3 386.433 2.896 20 0 GFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(F)cc3C)C2)cc1C(=O)[O-] ZINC000832890317 601221933 /nfs/dbraw/zinc/22/19/33/601221933.db2.gz RYNBVJOVMOOESI-CQSZACIVSA-N -2 3 396.440 2.681 20 0 GFADHL Cc1csc(CCCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)n1 ZINC000832988942 601233807 /nfs/dbraw/zinc/23/38/07/601233807.db2.gz ATAYSPQIQXYKPU-UHFFFAOYSA-N -2 3 390.433 2.729 20 0 GFADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C12CCCC2 ZINC000829931370 601239706 /nfs/dbraw/zinc/23/97/06/601239706.db2.gz NTNAOQUBFTVCML-STQMWFEESA-N -2 3 389.420 2.679 20 0 GFADHL Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832951054 601239784 /nfs/dbraw/zinc/23/97/84/601239784.db2.gz RDGIXFRWTZZNQE-NSHDSACASA-N -2 3 385.388 2.717 20 0 GFADHL CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc21 ZINC000737539480 601329065 /nfs/dbraw/zinc/32/90/65/601329065.db2.gz JOVXPHMKLRZJDF-UHFFFAOYSA-N -2 3 392.408 2.624 20 0 GFADHL COc1ccc(-c2cc3[n-]c(CN4CC[C@@](C)(C(=O)[O-])C4)nc(=O)c3s2)cc1 ZINC000832116076 601915154 /nfs/dbraw/zinc/91/51/54/601915154.db2.gz GNTGTRCMMZDAMU-HXUWFJFHSA-N -2 3 399.472 2.957 20 0 GFADHL C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000315311104 602141714 /nfs/dbraw/zinc/14/17/14/602141714.db2.gz GLECXQLIAXHSNB-MRVPVSSYSA-N -2 3 392.227 2.633 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c(Br)o1 ZINC000833303122 602143204 /nfs/dbraw/zinc/14/32/04/602143204.db2.gz JHLFKELSZQCRJJ-MRVPVSSYSA-N -2 3 390.211 2.689 20 0 GFADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@@H](C)C1 ZINC000226176754 602155018 /nfs/dbraw/zinc/15/50/18/602155018.db2.gz YGNRDDONVDYIIH-VGMNWLOBSA-N -2 3 380.260 2.843 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)c(Br)o1 ZINC000833303139 602159615 /nfs/dbraw/zinc/15/96/15/602159615.db2.gz KDVDPGQYXHSSEF-LPEHRKFASA-N -2 3 392.271 2.987 20 0 GFADHL O=C([O-])Nc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000740712553 602504593 /nfs/dbraw/zinc/50/45/93/602504593.db2.gz WEIANTBXWQHDPC-UHFFFAOYSA-N -2 3 393.396 2.609 20 0 GFADHL O=C([O-])N1CCC[C@H]1[C@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000740516547 602992152 /nfs/dbraw/zinc/99/21/52/602992152.db2.gz KZRRRPIVGGWFTF-ZFWWWQNUSA-N -2 3 388.497 2.815 20 0 GFADHL C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823723923 603284036 /nfs/dbraw/zinc/28/40/36/603284036.db2.gz NSJITXRKHOQUNS-BLLLJJGKSA-N -2 3 391.449 2.642 20 0 GFADHL Cc1cccc(O[C@@H]2CCCC[C@@H]2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000832972205 604511074 /nfs/dbraw/zinc/51/10/74/604511074.db2.gz QICBPHQCXAZNBI-LSDHHAIUSA-N -2 3 379.434 2.955 20 0 GFADHL CC1=C(C(=O)[O-])[C@@H](c2ccc([O-])c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000833578809 604556737 /nfs/dbraw/zinc/55/67/37/604556737.db2.gz XDFBINLDIJBRIT-MRXNPFEDSA-N -3 3 380.372 2.601 20 0 GFADHL CCc1nc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)sc1C(=O)[O-] ZINC000833674987 604994996 /nfs/dbraw/zinc/99/49/96/604994996.db2.gz KALFYOGRZKERNT-UHFFFAOYSA-N -2 3 396.418 2.714 20 0 GFADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(F)cc1Cl ZINC000833459812 605027480 /nfs/dbraw/zinc/02/74/80/605027480.db2.gz NDVRNWKLQISGNL-UHFFFAOYSA-N -2 3 392.861 2.890 20 0 GFADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833475034 605076513 /nfs/dbraw/zinc/07/65/13/605076513.db2.gz GSKUXHZKPGYNGP-QMMMGPOBSA-N -2 3 382.251 2.999 20 0 GFADHL C[C@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820697712 606134877 /nfs/dbraw/zinc/13/48/77/606134877.db2.gz KUZBJNZTRPBRNW-WDEREUQCSA-N -2 3 397.888 2.541 20 0 GFADHL C[C@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820697712 606134879 /nfs/dbraw/zinc/13/48/79/606134879.db2.gz KUZBJNZTRPBRNW-WDEREUQCSA-N -2 3 397.888 2.541 20 0 GFADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000822154041 606468758 /nfs/dbraw/zinc/46/87/58/606468758.db2.gz UCVGWRJGHFCZNI-UHFFFAOYSA-N -2 3 383.355 2.995 20 0 GFADHL O=S(=O)([N-]c1nnc(C2CCCCC2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823588868 606469349 /nfs/dbraw/zinc/46/93/49/606469349.db2.gz CXWMCYVDGPDYCC-UHFFFAOYSA-N -2 3 391.482 2.567 20 0 GFADHL O=S(=O)([N-]c1nnc(C2CCCCC2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823588868 606469351 /nfs/dbraw/zinc/46/93/51/606469351.db2.gz CXWMCYVDGPDYCC-UHFFFAOYSA-N -2 3 391.482 2.567 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1O ZINC000822326739 606655780 /nfs/dbraw/zinc/65/57/80/606655780.db2.gz AFHXWOWOLLVBEP-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1O ZINC000822326739 606655781 /nfs/dbraw/zinc/65/57/81/606655781.db2.gz AFHXWOWOLLVBEP-UHFFFAOYSA-N -2 3 399.354 2.700 20 0 GFADHL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821394385 606865936 /nfs/dbraw/zinc/86/59/36/606865936.db2.gz IZFUKLCMEQMASJ-UHFFFAOYSA-N -2 3 395.391 2.653 20 0 GFADHL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821394385 606865938 /nfs/dbraw/zinc/86/59/38/606865938.db2.gz IZFUKLCMEQMASJ-UHFFFAOYSA-N -2 3 395.391 2.653 20 0 GFADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000822202118 606981162 /nfs/dbraw/zinc/98/11/62/606981162.db2.gz LVNSZNMHFPTQTC-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000822202118 606981164 /nfs/dbraw/zinc/98/11/64/606981164.db2.gz LVNSZNMHFPTQTC-UHFFFAOYSA-N -2 3 385.236 2.678 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826492805 607817127 /nfs/dbraw/zinc/81/71/27/607817127.db2.gz FGRSEMHTVWDPJS-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826492805 607817128 /nfs/dbraw/zinc/81/71/28/607817128.db2.gz FGRSEMHTVWDPJS-UHFFFAOYSA-N -2 3 386.220 2.680 20 0 GFADHL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826273451 607982869 /nfs/dbraw/zinc/98/28/69/607982869.db2.gz FGIDAISBOVEITA-UHFFFAOYSA-N -2 3 396.432 2.939 20 0 GFADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825060157 608141757 /nfs/dbraw/zinc/14/17/57/608141757.db2.gz NWSIRIYJOTWBQI-LLVKDONJSA-N -2 3 399.904 2.932 20 0 GFADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825060157 608141758 /nfs/dbraw/zinc/14/17/58/608141758.db2.gz NWSIRIYJOTWBQI-LLVKDONJSA-N -2 3 399.904 2.932 20 0 GFADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825061802 608142448 /nfs/dbraw/zinc/14/24/48/608142448.db2.gz YVDAFFOPBVWHDZ-GFCCVEGCSA-N -2 3 379.486 2.587 20 0 GFADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825061802 608142449 /nfs/dbraw/zinc/14/24/49/608142449.db2.gz YVDAFFOPBVWHDZ-GFCCVEGCSA-N -2 3 379.486 2.587 20 0 GFADHL CSc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1C ZINC000826230601 608396470 /nfs/dbraw/zinc/39/64/70/608396470.db2.gz AXFHDIRNPBTDPD-UHFFFAOYSA-N -2 3 397.432 2.976 20 0 GFADHL CSc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1C ZINC000826230601 608396472 /nfs/dbraw/zinc/39/64/72/608396472.db2.gz AXFHDIRNPBTDPD-UHFFFAOYSA-N -2 3 397.432 2.976 20 0 GFADHL O=C(COc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000826419089 608864600 /nfs/dbraw/zinc/86/46/00/608864600.db2.gz IVZXFFLBXCNBDI-UHFFFAOYSA-N -2 3 380.191 2.897 20 0 GFADHL O=C(COc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000826419089 608864603 /nfs/dbraw/zinc/86/46/03/608864603.db2.gz IVZXFFLBXCNBDI-UHFFFAOYSA-N -2 3 380.191 2.897 20 0 GFADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc2cnccc21 ZINC000826492635 609339123 /nfs/dbraw/zinc/33/91/23/609339123.db2.gz VSTKPBMKXQXGGD-UHFFFAOYSA-N -2 3 386.824 2.869 20 0 GFADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826190300 609524231 /nfs/dbraw/zinc/52/42/31/609524231.db2.gz WZYLFHXQLQTYRH-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826190300 609524234 /nfs/dbraw/zinc/52/42/34/609524234.db2.gz WZYLFHXQLQTYRH-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826178258 609525919 /nfs/dbraw/zinc/52/59/19/609525919.db2.gz QEDZRHXUFSMAGR-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826178258 609525920 /nfs/dbraw/zinc/52/59/20/609525920.db2.gz QEDZRHXUFSMAGR-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)cc2o1 ZINC000826328964 609526562 /nfs/dbraw/zinc/52/65/62/609526562.db2.gz LDGMDUIZNRYVIG-UHFFFAOYSA-N -2 3 390.812 2.771 20 0 GFADHL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)cc2o1 ZINC000826328964 609526564 /nfs/dbraw/zinc/52/65/64/609526564.db2.gz LDGMDUIZNRYVIG-UHFFFAOYSA-N -2 3 390.812 2.771 20 0 GFADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1Cl ZINC000824024789 660384049 /nfs/dbraw/zinc/38/40/49/660384049.db2.gz PSDBOTLSFVRFPE-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1Cl ZINC000824024789 660384051 /nfs/dbraw/zinc/38/40/51/660384051.db2.gz PSDBOTLSFVRFPE-UHFFFAOYSA-N -2 3 377.813 2.524 20 0 GFADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C)c1-c1nn[n-]n1 ZINC000826179868 660451132 /nfs/dbraw/zinc/45/11/32/660451132.db2.gz IVNMSDCIAPUKED-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826486409 660455567 /nfs/dbraw/zinc/45/55/67/660455567.db2.gz BEFHIGVMEMOHPJ-UHFFFAOYSA-N -2 3 385.783 2.740 20 0 GFADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(=O)[n-]1 ZINC000048409423 654706555 /nfs/dbraw/zinc/70/65/55/654706555.db2.gz ZOYDMYKKJLJSML-UHFFFAOYSA-N -2 3 390.248 2.581 20 0 GFADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)CCC2)n1 ZINC000273713203 655155535 /nfs/dbraw/zinc/15/55/35/655155535.db2.gz PLPRDCFGTGJITC-UHFFFAOYSA-N -2 3 388.417 2.786 20 0 GFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c(Br)s1 ZINC000313406050 655380049 /nfs/dbraw/zinc/38/00/49/655380049.db2.gz UUSDBOBEKBBMRV-RXMQYKEDSA-N -2 3 390.227 2.675 20 0 GFADHL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737024500 655668228 /nfs/dbraw/zinc/66/82/28/655668228.db2.gz IUZFSSUNPUIMEJ-UHFFFAOYSA-N -2 3 379.829 2.638 20 0 GFADHL C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCO1 ZINC000761320537 656011599 /nfs/dbraw/zinc/01/15/99/656011599.db2.gz HZGIMFRJQKQDRO-BDAKNGLRSA-N -2 3 382.265 2.785 20 0 GFADHL O=C([O-])[C@@H](CCC[N-]S(=O)(=O)c1cccnc1Cl)Cc1ccccc1 ZINC000790622683 658003604 /nfs/dbraw/zinc/00/36/04/658003604.db2.gz JIMOIWGNENBTHV-AWEZNQCLSA-N -2 3 382.869 2.737 20 0 GFADHL C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000794841611 658623690 /nfs/dbraw/zinc/62/36/90/658623690.db2.gz UWICODBZHNWJKK-DTWKUNHWSA-N -2 3 382.265 2.643 20 0 GFADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(F)cc1Cl ZINC000795339669 658808050 /nfs/dbraw/zinc/80/80/50/658808050.db2.gz LXYMAABELACSNJ-UHFFFAOYSA-N -2 3 377.752 2.911 20 0 GFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1)C(F)(F)F ZINC000871962930 662746941 /nfs/dbraw/zinc/74/69/41/662746941.db2.gz JCMBDASKOWTJLJ-MRVPVSSYSA-N -2 3 389.779 2.813 20 0 GFADHL COC1CC(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)C1 ZINC000871980669 662748768 /nfs/dbraw/zinc/74/87/68/662748768.db2.gz MTWANARPUPPUPB-UHFFFAOYSA-N -2 3 382.265 2.785 20 0 GFADHL