smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000542236430 1013193957 /nfs/dbraw/zinc/19/39/57/1013193957.db2.gz ZMLYPOBHGLZKCS-NSHDSACASA-N -2 0 403.378 3.964 20 0 HHADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000058495068 965754751 /nfs/dbraw/zinc/75/47/51/965754751.db2.gz DSYVMTGTBRQDQZ-UHFFFAOYSA-N -2 0 410.879 3.921 20 0 HHADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000058494523 965755193 /nfs/dbraw/zinc/75/51/93/965755193.db2.gz GMCUZQXUNNTNGR-UHFFFAOYSA-N -2 0 404.275 3.580 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)sc1C(=O)[O-] ZINC000055591867 965945774 /nfs/dbraw/zinc/94/57/74/965945774.db2.gz OTGZQGSYACZZTR-UHFFFAOYSA-N -2 0 415.452 3.615 20 0 HHADRL O=C([O-])c1ccc(Oc2ccccc2)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000060381037 966123288 /nfs/dbraw/zinc/12/32/88/966123288.db2.gz QLVRCDMEMIKZPD-UHFFFAOYSA-N -2 0 414.395 3.886 20 0 HHADRL CCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1 ZINC000032599957 966291461 /nfs/dbraw/zinc/29/14/61/966291461.db2.gz FBRLPYGCKGMXRK-UHFFFAOYSA-N -2 0 420.306 3.798 20 0 HHADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1Cl ZINC000063877443 966984356 /nfs/dbraw/zinc/98/43/56/966984356.db2.gz SNOHNGMEGXWEQS-UHFFFAOYSA-N -2 0 421.233 3.590 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(Br)c(Cl)c2)cs1 ZINC000313728409 972635090 /nfs/dbraw/zinc/63/50/90/972635090.db2.gz DFBQSSICPVIIBH-UHFFFAOYSA-N -2 0 414.661 3.802 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(Br)c1 ZINC000315634471 972646964 /nfs/dbraw/zinc/64/69/64/972646964.db2.gz YPNLLHLWDYXKOJ-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2c(Cl)cccc2Br)cccc1C(=O)[O-] ZINC000319151377 972669481 /nfs/dbraw/zinc/66/94/81/972669481.db2.gz LBCJUJKJEWYHNC-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)c1C(=O)[O-] ZINC000319289284 972669510 /nfs/dbraw/zinc/66/95/10/972669510.db2.gz FLOAJCPVFOTRDP-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Br)c1C ZINC000322564570 972700373 /nfs/dbraw/zinc/70/03/73/972700373.db2.gz DKKPRPCNECIYMG-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)c(C)c(C(=O)[O-])c2)cnc1Cl ZINC000322899030 972704529 /nfs/dbraw/zinc/70/45/29/972704529.db2.gz CTWRXEYPQLSILK-UHFFFAOYSA-N -2 0 419.684 3.613 20 0 HHADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)c1 ZINC000325957818 972737700 /nfs/dbraw/zinc/73/77/00/972737700.db2.gz QHFYKMBLJSJAPW-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1Br ZINC000391851936 972844960 /nfs/dbraw/zinc/84/49/60/972844960.db2.gz QZLMWTBLSIOYNT-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(Br)s2)cccc1C(=O)[O-] ZINC000410405337 974005864 /nfs/dbraw/zinc/00/58/64/974005864.db2.gz YATHRRIZNNKLGW-UHFFFAOYSA-N -2 0 420.306 3.797 20 0 HHADRL O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CC[C@@H](C(=O)Nc2cccc(Cl)c2[O-])O1 ZINC000427633444 975217547 /nfs/dbraw/zinc/21/75/47/975217547.db2.gz JHFAXDNNOIEFJI-KBPBESRZSA-N -2 0 411.241 3.529 20 0 HHADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000430989552 977935542 /nfs/dbraw/zinc/93/55/42/977935542.db2.gz SWNOXWUCDHHZHJ-UHFFFAOYSA-N -2 0 417.483 3.567 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cnn1-c1ccc(C)cc1 ZINC000431900472 978586807 /nfs/dbraw/zinc/58/68/07/978586807.db2.gz ULGFSCKWCCXJNC-UHFFFAOYSA-N -2 0 403.460 3.534 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC000432047416 978660516 /nfs/dbraw/zinc/66/05/16/978660516.db2.gz HNPRKHLZGRYTSK-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c(OC(F)(F)F)c1 ZINC000432640888 978921894 /nfs/dbraw/zinc/92/18/94/978921894.db2.gz HMAARVMTPWPOGH-UHFFFAOYSA-N -2 0 400.334 3.566 20 0 HHADRL O=C([O-])CCCc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436474391 981392549 /nfs/dbraw/zinc/39/25/49/981392549.db2.gz CSRYSBPKUMUVBJ-UHFFFAOYSA-N -2 0 403.378 3.619 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000436717667 981528927 /nfs/dbraw/zinc/52/89/27/981528927.db2.gz CINZJGKTLLECQM-UHFFFAOYSA-N -2 0 418.402 3.526 20 0 HHADRL CC(C)(CNC(=O)c1ccc([O-])c(Cl)c1)CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000436875252 981598703 /nfs/dbraw/zinc/59/87/03/981598703.db2.gz UGUJIELBQWMUTP-UHFFFAOYSA-N -2 0 411.285 3.591 20 0 HHADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])cc1 ZINC000460448722 982242313 /nfs/dbraw/zinc/24/23/13/982242313.db2.gz MNUMBYUHSAEABO-UHFFFAOYSA-N -2 0 423.512 3.539 20 0 HHADRL Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c(SCCC(=O)[O-])c1 ZINC000460457565 982251364 /nfs/dbraw/zinc/25/13/64/982251364.db2.gz JCLNAPIMAQXJSI-UHFFFAOYSA-N -2 0 423.512 3.524 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]2)c(F)c1 ZINC000438773483 983062121 /nfs/dbraw/zinc/06/21/21/983062121.db2.gz SOHJKIUAWFRXEL-UHFFFAOYSA-N -2 0 411.414 3.868 20 0 HHADRL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000438791279 983072618 /nfs/dbraw/zinc/07/26/18/983072618.db2.gz FUSVGQDBZNUFOF-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000440295711 983709705 /nfs/dbraw/zinc/70/97/05/983709705.db2.gz RECHFUVUFMOLJN-UHFFFAOYSA-N -2 0 417.405 3.618 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cnn1CCC(C)C ZINC000440813245 983917553 /nfs/dbraw/zinc/91/75/53/983917553.db2.gz ANJKYOOFSWOZPI-UHFFFAOYSA-N -2 0 423.535 3.590 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000440825285 983924159 /nfs/dbraw/zinc/92/41/59/983924159.db2.gz JZIFKPIMZAWGKI-UHFFFAOYSA-N -2 0 421.368 3.828 20 0 HHADRL Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)n1 ZINC000462067655 985040421 /nfs/dbraw/zinc/04/04/21/985040421.db2.gz ZLURLQQAFVZHHJ-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(Br)cc1C ZINC000462106931 985076960 /nfs/dbraw/zinc/07/69/60/985076960.db2.gz ZOSZPBWOKNCVNR-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL C[C@]1(CNC(=O)c2ccc([O-])c(Cl)c2)CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000442820765 985227929 /nfs/dbraw/zinc/22/79/29/985227929.db2.gz AHNJEWGGLSNIJA-HXUWFJFHSA-N -2 0 423.296 3.687 20 0 HHADRL Cc1cc(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469599227 987264751 /nfs/dbraw/zinc/26/47/51/987264751.db2.gz RCZPWRGDQXUXMU-UHFFFAOYSA-N -2 0 409.471 3.904 20 0 HHADRL Cc1cc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000470524433 988524781 /nfs/dbraw/zinc/52/47/81/988524781.db2.gz VFMBGDYKTVUEJG-UHFFFAOYSA-N -2 0 416.412 3.753 20 0 HHADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471115080 989219098 /nfs/dbraw/zinc/21/90/98/989219098.db2.gz VNNISKDUYVMDOG-UHFFFAOYSA-N -2 0 406.485 3.729 20 0 HHADRL Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000471574190 989775757 /nfs/dbraw/zinc/77/57/57/989775757.db2.gz MRXNPVSHEVUMKK-MRXNPFEDSA-N -2 0 413.499 3.917 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000471972137 990138161 /nfs/dbraw/zinc/13/81/61/990138161.db2.gz FDWRPRHEJJJUMX-UHFFFAOYSA-N -2 0 412.345 3.632 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473440004 994289365 /nfs/dbraw/zinc/28/93/65/994289365.db2.gz IJFUDKYPPFKRGI-UHFFFAOYSA-N -2 0 412.197 3.779 20 0 HHADRL Cc1cccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000481959617 994844997 /nfs/dbraw/zinc/84/49/97/994844997.db2.gz AYYLPTYUZHHQCE-UHFFFAOYSA-N -2 0 412.467 3.919 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2Nc2c(F)cccc2F)cc1C(=O)[O-] ZINC000484080151 996558747 /nfs/dbraw/zinc/55/87/47/996558747.db2.gz QDCIMGSVFQQOFQ-UHFFFAOYSA-N -2 0 407.398 3.546 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c(Br)c1 ZINC000476388921 996837360 /nfs/dbraw/zinc/83/73/60/996837360.db2.gz KXNDLPVZPYYGHZ-UHFFFAOYSA-N -2 0 413.274 3.558 20 0 HHADRL COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000476398759 996854641 /nfs/dbraw/zinc/85/46/41/996854641.db2.gz GOYMINITUKWXSV-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cc(Cl)cc(Br)c1[O-] ZINC000484596154 996930452 /nfs/dbraw/zinc/93/04/52/996930452.db2.gz FOBRFXKMWBJWDZ-UHFFFAOYSA-N -2 0 424.675 3.768 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000484960743 997337253 /nfs/dbraw/zinc/33/72/53/997337253.db2.gz NGPMVDLNYCVODZ-UHFFFAOYSA-N -2 0 420.306 3.798 20 0 HHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485278865 997674114 /nfs/dbraw/zinc/67/41/14/997674114.db2.gz SMVBPIRBAIQSKF-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000477423745 998113730 /nfs/dbraw/zinc/11/37/30/998113730.db2.gz PHZVWKXACMHOBI-OAHLLOKOSA-N -2 0 414.483 3.789 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C(C)C)cc1C(=O)[O-] ZINC000486088791 998535338 /nfs/dbraw/zinc/53/53/38/998535338.db2.gz JQUFRYAKJMFQJG-UHFFFAOYSA-N -2 0 423.535 3.950 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(OC(F)(F)F)c1 ZINC000486094064 998541776 /nfs/dbraw/zinc/54/17/76/998541776.db2.gz LNVUNFGTYBAZOD-UHFFFAOYSA-N -2 0 400.334 3.566 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000486106807 998553818 /nfs/dbraw/zinc/55/38/18/998553818.db2.gz DDAAJAXDUSAKDY-UHFFFAOYSA-N -2 0 417.462 3.942 20 0 HHADRL CSc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000479195830 999321695 /nfs/dbraw/zinc/32/16/95/999321695.db2.gz FIVMEAZBHWPMCH-UHFFFAOYSA-N -2 0 407.391 3.806 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccccc2SC)c(C(=O)[O-])cc1OC(F)F ZINC000479202085 999323734 /nfs/dbraw/zinc/32/37/34/999323734.db2.gz AKWHYGLKMCHPRG-UHFFFAOYSA-N -2 0 419.427 3.518 20 0 HHADRL Cc1ccc(-n2ncc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2C(C)C)cc1 ZINC000480224401 999749645 /nfs/dbraw/zinc/74/96/45/999749645.db2.gz YWEJNMBOKHZBKK-UHFFFAOYSA-N -2 0 405.501 3.865 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)ccc1C(=O)[O-] ZINC000489382937 999755453 /nfs/dbraw/zinc/75/54/53/999755453.db2.gz FFPRRKLZOFGZJS-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489695701 999819177 /nfs/dbraw/zinc/81/91/77/999819177.db2.gz GWXLYAOSDMAIAF-UHFFFAOYSA-N -2 0 420.270 3.518 20 0 HHADRL CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C)c1 ZINC000489701327 999820366 /nfs/dbraw/zinc/82/03/66/999820366.db2.gz ZLAQFGWISZPEFY-GFCCVEGCSA-N -2 0 424.906 3.676 20 0 HHADRL Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)n1 ZINC000489750555 999830901 /nfs/dbraw/zinc/83/09/01/999830901.db2.gz FTACTIZANXUKGK-UHFFFAOYSA-N -2 0 403.847 3.604 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)ccc1C(=O)[O-] ZINC000491583096 1000086017 /nfs/dbraw/zinc/08/60/17/1000086017.db2.gz GFZFELWMCWMMJV-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(F)c(Cl)c1 ZINC000491832324 1000096485 /nfs/dbraw/zinc/09/64/85/1000096485.db2.gz POPHMKHDUMYKMK-UHFFFAOYSA-N -2 0 408.234 3.569 20 0 HHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1)C(=O)[O-] ZINC000504694583 1000329692 /nfs/dbraw/zinc/32/96/92/1000329692.db2.gz JMOQBAXUWVZBEY-QMMMGPOBSA-N -2 0 422.347 3.877 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000505126584 1000563446 /nfs/dbraw/zinc/56/34/46/1000563446.db2.gz ZORFRMCSTWOJTD-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)(F)F)cc1 ZINC000505286914 1000672388 /nfs/dbraw/zinc/67/23/88/1000672388.db2.gz FWNGCVDQZQDROA-UHFFFAOYSA-N -2 0 409.769 3.780 20 0 HHADRL O=C([O-])c1ccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCCO5)cc3[n-]2)s1 ZINC000494896533 1000717695 /nfs/dbraw/zinc/71/76/95/1000717695.db2.gz YCJBTVLYKLTRMU-UHFFFAOYSA-N -2 0 412.448 3.850 20 0 HHADRL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000496846886 1001237285 /nfs/dbraw/zinc/23/72/85/1001237285.db2.gz PLKNIDINVKJJAD-UHFFFAOYSA-N -2 0 400.605 3.948 20 0 HHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1)C(=O)[O-] ZINC000507618891 1002223459 /nfs/dbraw/zinc/22/34/59/1002223459.db2.gz DURAXPJNACFEFD-SSDOTTSWSA-N -2 0 409.382 3.609 20 0 HHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1)C(=O)[O-] ZINC000507888344 1002421067 /nfs/dbraw/zinc/42/10/67/1002421067.db2.gz MKPZBUYFJQEAEY-SNVBAGLBSA-N -2 0 405.369 3.697 20 0 HHADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000499505930 1002896051 /nfs/dbraw/zinc/89/60/51/1002896051.db2.gz XQEOYLBNKDEPTF-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000499507721 1002897106 /nfs/dbraw/zinc/89/71/06/1002897106.db2.gz SUCXWLKEZHKOTP-UHFFFAOYSA-N -2 0 423.853 3.781 20 0 HHADRL CCOc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000508446130 1002932751 /nfs/dbraw/zinc/93/27/51/1002932751.db2.gz LZWFLDJJXUGGGB-UHFFFAOYSA-N -2 0 402.428 3.705 20 0 HHADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000509393241 1003823641 /nfs/dbraw/zinc/82/36/41/1003823641.db2.gz XQVMESDEWOQJGR-UHFFFAOYSA-N -2 0 408.785 3.870 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)cs1 ZINC000509396503 1003826786 /nfs/dbraw/zinc/82/67/86/1003826786.db2.gz LCGRDTAOXKNWNG-UHFFFAOYSA-N -2 0 413.274 3.558 20 0 HHADRL Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C)c1C(=O)[O-] ZINC000512728758 1004522912 /nfs/dbraw/zinc/52/29/12/1004522912.db2.gz IJWVGDGZMWITKH-UHFFFAOYSA-N -2 0 417.361 3.519 20 0 HHADRL Cc1cc(C(=O)Nc2cccc(OCCc3ccccc3)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000501581884 1004532887 /nfs/dbraw/zinc/53/28/87/1004532887.db2.gz PYNNXEFJRYOEEI-UHFFFAOYSA-N -2 0 416.437 3.618 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000511105119 1005020683 /nfs/dbraw/zinc/02/06/83/1005020683.db2.gz DDTDWYDSTLXSSO-UHFFFAOYSA-N -2 0 403.378 3.744 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OC[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC000511722287 1005292475 /nfs/dbraw/zinc/29/24/75/1005292475.db2.gz KMUKIZUGXASGQL-INIZCTEOSA-N -2 0 419.499 3.750 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C)c(Oc3cc(C)ccn3)c2)cc1C(=O)[O-] ZINC000504260478 1005584618 /nfs/dbraw/zinc/58/46/18/1005584618.db2.gz NVNNNDPSWNCNIT-UHFFFAOYSA-N -2 0 415.471 3.811 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1ccccc1C ZINC000514737216 1006095317 /nfs/dbraw/zinc/09/53/17/1006095317.db2.gz QLZODCGMZAPUEI-UHFFFAOYSA-N -2 0 413.499 3.561 20 0 HHADRL O=C([O-])c1cccc(Cc2nc(=O)c3sc(-c4ccc5c(c4)OCCO5)cc3[n-]2)c1 ZINC000515610035 1006559125 /nfs/dbraw/zinc/55/91/25/1006559125.db2.gz MTMUOZVVNFLRCL-UHFFFAOYSA-N -2 0 420.446 3.712 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc1C(F)(F)F ZINC000532845389 1007230487 /nfs/dbraw/zinc/23/04/87/1007230487.db2.gz YOOHNHZKRUFNRL-UHFFFAOYSA-N -2 0 423.372 3.661 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c(Cl)cc1C(=O)[O-] ZINC000535780665 1007789011 /nfs/dbraw/zinc/78/90/11/1007789011.db2.gz ADKJMHIZQLWNGP-UHFFFAOYSA-N -2 0 424.887 3.971 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)sc1C(=O)[O-] ZINC000519947973 1009098248 /nfs/dbraw/zinc/09/82/48/1009098248.db2.gz BTKPDYUAYZWUNU-UHFFFAOYSA-N -2 0 422.528 3.536 20 0 HHADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)c1 ZINC000520298166 1009422472 /nfs/dbraw/zinc/42/24/72/1009422472.db2.gz PLQGXGRJQYMYGA-UHFFFAOYSA-N -2 0 421.368 3.585 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)c1 ZINC000546534588 1009554913 /nfs/dbraw/zinc/55/49/13/1009554913.db2.gz YDGXFLCJARDGEF-UHFFFAOYSA-N -2 0 409.769 3.888 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c32)cc(C(F)(F)F)c1 ZINC000547545766 1010345669 /nfs/dbraw/zinc/34/56/69/1010345669.db2.gz KUMJQULQAVSNFW-UHFFFAOYSA-N -2 0 419.768 3.734 20 0 HHADRL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000547545518 1010345725 /nfs/dbraw/zinc/34/57/25/1010345725.db2.gz GMBMXAJZMQBXNS-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cc1C(=O)[O-] ZINC000547547004 1010346553 /nfs/dbraw/zinc/34/65/53/1010346553.db2.gz HQUJDUMWIQSRFV-UHFFFAOYSA-N -3 0 405.815 3.690 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(C(=O)[O-])c1 ZINC000547548260 1010346989 /nfs/dbraw/zinc/34/69/89/1010346989.db2.gz KQVGJFYQWCRFQD-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)cc1F ZINC000547585840 1010356553 /nfs/dbraw/zinc/35/65/53/1010356553.db2.gz ZSDVUMBKPFJTFR-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000547609635 1010363157 /nfs/dbraw/zinc/36/31/57/1010363157.db2.gz UPWJZGQYYOAERK-UHFFFAOYSA-N -2 0 402.428 3.628 20 0 HHADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)c(C(=O)[O-])c1 ZINC000547614422 1010364303 /nfs/dbraw/zinc/36/43/03/1010364303.db2.gz HYPJMBKMMDQZMX-UHFFFAOYSA-N -2 0 424.525 3.996 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551109016 1010374960 /nfs/dbraw/zinc/37/49/60/1010374960.db2.gz JTDSMNJCOYWJIC-UHFFFAOYSA-N -2 0 405.806 3.906 20 0 HHADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000547874457 1010459017 /nfs/dbraw/zinc/45/90/17/1010459017.db2.gz AGTKRPFKJUNJDD-UHFFFAOYSA-N -2 0 418.515 3.675 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1C(=O)[O-] ZINC000548523992 1010655946 /nfs/dbraw/zinc/65/59/46/1010655946.db2.gz APWZAPWUACHBLR-UHFFFAOYSA-N -3 0 423.752 3.556 20 0 HHADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000548524658 1010656095 /nfs/dbraw/zinc/65/60/95/1010656095.db2.gz PUSPMHOCEWNLET-UHFFFAOYSA-N -2 0 418.515 3.675 20 0 HHADRL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000522957652 1011404717 /nfs/dbraw/zinc/40/47/17/1011404717.db2.gz NRNMGKUMYNALFE-UHFFFAOYSA-N -2 0 418.283 3.740 20 0 HHADRL CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])cc1Cl ZINC000541001052 1011635686 /nfs/dbraw/zinc/63/56/86/1011635686.db2.gz UGLWAIOOGWZBOG-UHFFFAOYSA-N -2 0 410.879 3.507 20 0 HHADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(F)(F)F ZINC000551910057 1012021643 /nfs/dbraw/zinc/02/16/43/1012021643.db2.gz HVJVNUUGWTVLHR-YFKPBYRVSA-N -2 0 414.616 3.578 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC000523728146 1012343507 /nfs/dbraw/zinc/34/35/07/1012343507.db2.gz GHOCMPDAZQLDBG-AREMUKBSSA-N -2 0 421.521 3.555 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c(Br)c1 ZINC000541930123 1012791953 /nfs/dbraw/zinc/79/19/53/1012791953.db2.gz OWDCREIAAZKKIH-UHFFFAOYSA-N -2 0 412.305 3.966 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)oc2c1 ZINC000537394341 1012875764 /nfs/dbraw/zinc/87/57/64/1012875764.db2.gz MCXPLWXMRGPRBY-UHFFFAOYSA-N -2 0 415.452 3.759 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)nn1-c1cccc(Cl)c1 ZINC000537396647 1012879619 /nfs/dbraw/zinc/87/96/19/1012879619.db2.gz JNWLLJWKOMZUTQ-UHFFFAOYSA-N -2 0 411.892 3.703 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c(C(=O)[O-])c1 ZINC000524103510 1012879703 /nfs/dbraw/zinc/87/97/03/1012879703.db2.gz CANUGOLTUGNLDJ-UHFFFAOYSA-N -2 0 420.270 3.818 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1C(F)(F)F ZINC000542010987 1012894083 /nfs/dbraw/zinc/89/40/83/1012894083.db2.gz LUXMJKSUEYGBFF-UHFFFAOYSA-N -2 0 412.345 3.859 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)sc1C(=O)[O-] ZINC000614862466 1071792077 /nfs/dbraw/zinc/79/20/77/1071792077.db2.gz PARVEULVZMYLHL-ZDUSSCGKSA-N -2 0 422.528 3.570 20 0 HHADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000760364653 1072293332 /nfs/dbraw/zinc/29/33/32/1072293332.db2.gz LCLSFLZNINHSPI-UHFFFAOYSA-N -2 0 412.197 3.779 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000589939493 1073423821 /nfs/dbraw/zinc/42/38/21/1073423821.db2.gz KOCFYTMAEHOBLP-UHFFFAOYSA-N -2 0 419.377 3.530 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(N3CCCC3)sc2c1 ZINC000591679679 1074483645 /nfs/dbraw/zinc/48/36/45/1074483645.db2.gz YNSXWKAWBOJUJH-UHFFFAOYSA-N -2 0 423.541 3.765 20 0 HHADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC000591681300 1074484160 /nfs/dbraw/zinc/48/41/60/1074484160.db2.gz IUIMUCVFXCPFLA-UHFFFAOYSA-N -2 0 421.233 3.590 20 0 HHADRL CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3[O-])c2)n1 ZINC000550106659 452921948 /nfs/dbraw/zinc/92/19/48/452921948.db2.gz HHRMFJYQXOUOBU-UHFFFAOYSA-N -2 0 405.863 3.571 20 0 HHADRL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000542235774 1013192629 /nfs/dbraw/zinc/19/26/29/1013192629.db2.gz MSOOTOPNONMXCJ-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL O=C([O-])[C@@H](CC(=O)Nc1ccccc1S(=O)(=O)[N-]c1ccccc1)c1ccccc1 ZINC000013469695 962394429 /nfs/dbraw/zinc/39/44/29/962394429.db2.gz ZIECAOWMCZDHOO-SFHVURJKSA-N -2 0 424.478 3.684 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000057116739 965286801 /nfs/dbraw/zinc/28/68/01/965286801.db2.gz FPECXRBIYKZZNT-UHFFFAOYSA-N -2 0 403.481 3.852 20 0 HHADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000058488424 965751788 /nfs/dbraw/zinc/75/17/88/965751788.db2.gz NFIPYDQWVVEDAU-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc(Cl)c1Cl ZINC000058493962 965754067 /nfs/dbraw/zinc/75/40/67/965754067.db2.gz HRRPSDNGAMKJLW-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1OC(F)F ZINC000059000003 965986291 /nfs/dbraw/zinc/98/62/91/965986291.db2.gz ARYQYMHATLTBEY-UHFFFAOYSA-N -2 0 421.805 3.757 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c(C(=O)[O-])cc1OC(F)F ZINC000060060017 966054687 /nfs/dbraw/zinc/05/46/87/966054687.db2.gz IKAAQXDOXHFZPD-UHFFFAOYSA-N -2 0 421.805 3.757 20 0 HHADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000032630244 966297631 /nfs/dbraw/zinc/29/76/31/966297631.db2.gz NIBBCQAEOVPZHT-UHFFFAOYSA-N -2 0 407.488 3.692 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC(F)(F)F ZINC000042792311 966849391 /nfs/dbraw/zinc/84/93/91/966849391.db2.gz CBFHTTULUMLEDU-UHFFFAOYSA-N -2 0 407.391 3.806 20 0 HHADRL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000042795471 966850062 /nfs/dbraw/zinc/85/00/62/966850062.db2.gz HTVMJGMTNNUHIM-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000063877650 966984514 /nfs/dbraw/zinc/98/45/14/966984514.db2.gz WZXHGVYYSWIWCR-UHFFFAOYSA-N -2 0 416.814 3.547 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c(Cl)c1 ZINC000320373277 972681133 /nfs/dbraw/zinc/68/11/33/972681133.db2.gz QXJZBTPSWNINPX-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000323032805 972707456 /nfs/dbraw/zinc/70/74/56/972707456.db2.gz XKFFERIYESETOV-UHFFFAOYSA-N -2 0 413.274 3.558 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c(Br)c1 ZINC000324093300 972719946 /nfs/dbraw/zinc/71/99/46/972719946.db2.gz JXFJQIWKCRTMAL-UHFFFAOYSA-N -2 0 422.203 3.550 20 0 HHADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)c1 ZINC000391407235 972839638 /nfs/dbraw/zinc/83/96/38/972839638.db2.gz LQWDQAIRPVTBDW-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL CCc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2OC)c(C(=O)[O-])c1 ZINC000392612918 972855051 /nfs/dbraw/zinc/85/50/51/972855051.db2.gz FWOFCOGXLVHPNR-UHFFFAOYSA-N -2 0 414.277 3.519 20 0 HHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427238330 974998467 /nfs/dbraw/zinc/99/84/67/974998467.db2.gz VGJQJJYXDUBPIQ-UHFFFAOYSA-N -2 0 421.368 3.887 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000431888807 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CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1SCCC(=O)[O-] ZINC000460454595 982248964 /nfs/dbraw/zinc/24/89/64/982248964.db2.gz WHMFQONBUGHWFN-UHFFFAOYSA-N -2 0 423.512 3.623 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c(F)c1 ZINC000438787921 983070213 /nfs/dbraw/zinc/07/02/13/983070213.db2.gz XDGGWBSHIORCMF-UHFFFAOYSA-N -2 0 417.443 3.701 20 0 HHADRL CCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000440805550 983914281 /nfs/dbraw/zinc/91/42/81/983914281.db2.gz GNXWOZVXSJQQCV-UHFFFAOYSA-N -2 0 418.254 3.753 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Nc1ccccc1 ZINC000440828002 983926286 /nfs/dbraw/zinc/92/62/86/983926286.db2.gz GGUXGBCEIAJKDK-UHFFFAOYSA-N -2 0 412.467 3.867 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Nc2ccc(F)cc2F)c[nH]1 ZINC000440828370 983926352 /nfs/dbraw/zinc/92/63/52/983926352.db2.gz TXXLCQCDIKXCTF-UHFFFAOYSA-N -2 0 411.361 3.675 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cc1C(=O)[O-] ZINC000440829311 983926800 /nfs/dbraw/zinc/92/68/00/983926800.db2.gz DKIUHSCRWSULHG-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000441712121 984410096 /nfs/dbraw/zinc/41/00/96/984410096.db2.gz HNBNGMCWZUWZPN-UHFFFAOYSA-N -2 0 403.378 3.689 20 0 HHADRL Cc1cc(C(=O)Nc2ccccc2COCc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468402799 986102608 /nfs/dbraw/zinc/10/26/08/986102608.db2.gz RVCIZODATCHQCI-UHFFFAOYSA-N -2 0 416.437 3.714 20 0 HHADRL Cc1sc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)nc1-c1ccc(C)cc1 ZINC000468571715 986276799 /nfs/dbraw/zinc/27/67/99/986276799.db2.gz MFYPKWYGRKQWFT-UHFFFAOYSA-N -2 0 407.455 3.737 20 0 HHADRL CC(C)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)C1 ZINC000444524543 986712369 /nfs/dbraw/zinc/71/23/69/986712369.db2.gz QDGTZDXNDLJPKF-AWEZNQCLSA-N -2 0 408.545 3.763 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000463777074 986767185 /nfs/dbraw/zinc/76/71/85/986767185.db2.gz 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ZINC000475830044 996398724 /nfs/dbraw/zinc/39/87/24/996398724.db2.gz MVFQCNBSOYNZJQ-UHFFFAOYSA-N -2 0 417.333 3.867 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2F)cc1C(=O)[O-] ZINC000484119701 996580514 /nfs/dbraw/zinc/58/05/14/996580514.db2.gz VDKNMUYKUKHREZ-UHFFFAOYSA-N -2 0 407.398 3.546 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(SCCC(=O)[O-])c1 ZINC000484507197 996835985 /nfs/dbraw/zinc/83/59/85/996835985.db2.gz WLOVDKVZSZTKDU-UHFFFAOYSA-N -2 0 420.434 3.776 20 0 HHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)cc1Cl ZINC000484537988 996870888 /nfs/dbraw/zinc/87/08/88/996870888.db2.gz JHKYODAOILPMNJ-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc(C(F)(F)F)c1 ZINC000484577299 996911068 /nfs/dbraw/zinc/91/10/68/996911068.db2.gz UDKHAHJBKIAOPU-UHFFFAOYSA-N -2 0 402.375 3.814 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1sccc1Br ZINC000484966378 997339818 /nfs/dbraw/zinc/33/98/18/997339818.db2.gz CKBMDSPOWWXADW-UHFFFAOYSA-N -2 0 420.306 3.798 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000484985154 997347968 /nfs/dbraw/zinc/34/79/68/997347968.db2.gz HWKRUZYTVNABRB-UHFFFAOYSA-N -2 0 419.377 3.873 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485395858 997823884 /nfs/dbraw/zinc/82/38/84/997823884.db2.gz QTABKVPEWXVFFS-UHFFFAOYSA-N -2 0 402.255 3.842 20 0 HHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000477342523 998031065 /nfs/dbraw/zinc/03/10/65/998031065.db2.gz RTJGIYUCXLRCQD-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c(OC(F)(F)F)c1 ZINC000486091401 998538018 /nfs/dbraw/zinc/53/80/18/998538018.db2.gz XLUXFIRKOFKYNZ-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(OC(F)(F)F)c1 ZINC000486110638 998557710 /nfs/dbraw/zinc/55/77/10/998557710.db2.gz NPYINGCSJVXWJG-UHFFFAOYSA-N -2 0 400.334 3.566 20 0 HHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-n3cccc3C(=O)[O-])c(C)c2)c1 ZINC000487343867 999141288 /nfs/dbraw/zinc/14/12/88/999141288.db2.gz IKWDOBGHCLLCNB-UHFFFAOYSA-N -2 0 420.874 3.947 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1-c1ccccc1F ZINC000479279896 999362295 /nfs/dbraw/zinc/36/22/95/999362295.db2.gz KNWARCNQNYHOPE-UHFFFAOYSA-N -2 0 423.853 3.781 20 0 HHADRL Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)o1 ZINC000479466394 999429567 /nfs/dbraw/zinc/42/95/67/999429567.db2.gz ICVFHOXQIFHCCT-UHFFFAOYSA-N -2 0 407.835 3.506 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)sc1C(=O)[O-] ZINC000479470553 999431118 /nfs/dbraw/zinc/43/11/18/999431118.db2.gz RSWOMLUQYMSNFT-UHFFFAOYSA-N -2 0 415.464 3.650 20 0 HHADRL CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1O ZINC000479529298 999462825 /nfs/dbraw/zinc/46/28/25/999462825.db2.gz PXDBOQXUYKFVEM-UHFFFAOYSA-N -2 0 413.879 3.607 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1-c1ccccc1C ZINC000480244978 999755134 /nfs/dbraw/zinc/75/51/34/999755134.db2.gz HXUWYBPKTSVAFK-UHFFFAOYSA-N -2 0 405.501 3.612 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1-c1cccc(Cl)c1 ZINC000480253167 999756918 /nfs/dbraw/zinc/75/69/18/999756918.db2.gz WFMZQPFYYLGSAC-UHFFFAOYSA-N -2 0 423.853 3.726 20 0 HHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1)C(=O)[O-] ZINC000504694582 1000329510 /nfs/dbraw/zinc/32/95/10/1000329510.db2.gz JMOQBAXUWVZBEY-MRVPVSSYSA-N -2 0 422.347 3.877 20 0 HHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000504703277 1000333110 /nfs/dbraw/zinc/33/31/10/1000333110.db2.gz NRPPRTINPAXJEB-JTQLQIEISA-N -2 0 403.428 3.654 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000505124899 1000562994 /nfs/dbraw/zinc/56/29/94/1000562994.db2.gz POLYDLFWZRNJMI-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000506619753 1001473328 /nfs/dbraw/zinc/47/33/28/1001473328.db2.gz YZCHSOVADKPRFS-UHFFFAOYSA-N -2 0 418.254 3.587 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c(Br)c1 ZINC000499288922 1002700246 /nfs/dbraw/zinc/70/02/46/1002700246.db2.gz DQWFCFONGNYUDA-UHFFFAOYSA-N -2 0 423.244 3.603 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000509554427 1003941894 /nfs/dbraw/zinc/94/18/94/1003941894.db2.gz JJWBTIAKVQICCT-UHFFFAOYSA-N -2 0 415.496 3.744 20 0 HHADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000510098386 1004322420 /nfs/dbraw/zinc/32/24/20/1004322420.db2.gz HICNAMURKMNXCY-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)c1 ZINC000512731337 1004523561 /nfs/dbraw/zinc/52/35/61/1004523561.db2.gz XSYGZRABKCNSEA-UHFFFAOYSA-N -2 0 421.368 3.883 20 0 HHADRL O=C([O-])CCCCCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000502814850 1005228657 /nfs/dbraw/zinc/22/86/57/1005228657.db2.gz MQQLYAPBCVYQNA-UHFFFAOYSA-N -2 0 424.906 3.516 20 0 HHADRL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000532162564 1006687806 /nfs/dbraw/zinc/68/78/06/1006687806.db2.gz CPYPTXKQRNWGHZ-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)nn1-c1cccc(Cl)c1 ZINC000539598604 1007918601 /nfs/dbraw/zinc/91/86/01/1007918601.db2.gz NRYUGTHLYJATDK-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000517924781 1008058811 /nfs/dbraw/zinc/05/88/11/1008058811.db2.gz KAPKSTYNUMBIET-UHFFFAOYSA-N -2 0 413.527 3.558 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)c1 ZINC000518075036 1008145422 /nfs/dbraw/zinc/14/54/22/1008145422.db2.gz JGPFWGKTACPLSM-LBPRGKRZSA-N -2 0 406.485 3.542 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nc(C3CC3)no2)cc1C ZINC000543164261 1008739522 /nfs/dbraw/zinc/73/95/22/1008739522.db2.gz KSIXUPFFRZGFFY-UHFFFAOYSA-N -2 0 419.484 3.791 20 0 HHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000544098577 1009708216 /nfs/dbraw/zinc/70/82/16/1009708216.db2.gz LJZVTEBDABVRFZ-SNVBAGLBSA-N -2 0 416.268 3.967 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(=O)[O-])cs3)cc2)c1F ZINC000544099643 1009710499 /nfs/dbraw/zinc/71/04/99/1009710499.db2.gz VRZMCBMBAPWESB-UHFFFAOYSA-N -2 0 406.460 3.680 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)ccc1F ZINC000547337212 1010258775 /nfs/dbraw/zinc/25/87/75/1010258775.db2.gz QKGIHRIOCCPICK-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000547612735 1010363547 /nfs/dbraw/zinc/36/35/47/1010363547.db2.gz KGPOFKMAIDJZPU-UHFFFAOYSA-N -2 0 418.298 3.961 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000547613114 1010363891 /nfs/dbraw/zinc/36/38/91/1010363891.db2.gz MJWSWZGMRGXDHL-UHFFFAOYSA-N -2 0 405.806 3.657 20 0 HHADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Br)c(C)c(C(=O)[O-])c2)c1 ZINC000551116910 1010380607 /nfs/dbraw/zinc/38/06/07/1010380607.db2.gz NKAUYVALRQVZMG-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000547933202 1010472700 /nfs/dbraw/zinc/47/27/00/1010472700.db2.gz IDXVMZWMXTWQBM-LLVKDONJSA-N -2 0 411.863 3.506 20 0 HHADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000547955832 1010482195 /nfs/dbraw/zinc/48/21/95/1010482195.db2.gz ULDMLMYHEONJRB-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000548149959 1010545103 /nfs/dbraw/zinc/54/51/03/1010545103.db2.gz RCWRCNGXFKTOKS-UHFFFAOYSA-N -2 0 409.261 3.738 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000545216265 1010688178 /nfs/dbraw/zinc/68/81/78/1010688178.db2.gz XEYPFFYGZGFILU-UHFFFAOYSA-N -2 0 416.524 3.851 20 0 HHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000540983050 1011617925 /nfs/dbraw/zinc/61/79/25/1011617925.db2.gz LAFPMPVTTBFZNT-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)c1C1CC1 ZINC000536499422 1011705773 /nfs/dbraw/zinc/70/57/73/1011705773.db2.gz YNWLDPIYOIBZJH-CYBMUJFWSA-N -2 0 421.519 3.613 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000541078083 1011718653 /nfs/dbraw/zinc/71/86/53/1011718653.db2.gz GWJVSBZSDLCVAN-UHFFFAOYSA-N -2 0 408.819 3.503 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c(C)c1CC(=O)[O-] ZINC000542008549 1012892018 /nfs/dbraw/zinc/89/20/18/1012892018.db2.gz SORAZIZPBWPFRW-UHFFFAOYSA-N -2 0 417.405 3.780 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)cc(Cl)c1F ZINC000760269427 1071815115 /nfs/dbraw/zinc/81/51/15/1071815115.db2.gz SIVXNHUTOZTDIF-UHFFFAOYSA-N -2 0 423.809 3.560 20 0 HHADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC000555426728 1073453936 /nfs/dbraw/zinc/45/39/36/1073453936.db2.gz WACXPIZAVIVHMM-UHFFFAOYSA-N -2 0 406.432 3.541 20 0 HHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cc1Cl ZINC000591796543 1074546801 /nfs/dbraw/zinc/54/68/01/1074546801.db2.gz FUXRFYWGOQTWKZ-UHFFFAOYSA-N -2 0 412.197 3.779 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)sc1C(=O)[O-] ZINC000592986976 1075154425 /nfs/dbraw/zinc/15/44/25/1075154425.db2.gz SKBUCPSMRRIDCS-CYBMUJFWSA-N -2 0 420.512 3.850 20 0 HHADRL CCC(CC)(CC(=O)Nc1ccccc1S(=O)(=O)[N-]c1ccccc1)C(=O)[O-] ZINC000010172366 961756095 /nfs/dbraw/zinc/75/60/95/961756095.db2.gz CZNMKTGOESQYJF-UHFFFAOYSA-N -2 0 404.488 3.707 20 0 HHADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cc(OC)c(OC)c2OC)cc1 ZINC000013032708 962360226 /nfs/dbraw/zinc/36/02/26/962360226.db2.gz NFTHCVHRDVNWLX-GFCCVEGCSA-N -2 0 423.487 3.725 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1Cl ZINC000013264989 962382184 /nfs/dbraw/zinc/38/21/84/962382184.db2.gz ZUFZXGTVHQDMIO-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000013464551 962393807 /nfs/dbraw/zinc/39/38/07/962393807.db2.gz QPYRFVXIIZPPFL-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(=O)c2ccco2)c1 ZINC000032098256 966195161 /nfs/dbraw/zinc/19/51/61/966195161.db2.gz GWUALUCWDIOGEM-UHFFFAOYSA-N -2 0 420.830 3.684 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1 ZINC000060738752 966271256 /nfs/dbraw/zinc/27/12/56/966271256.db2.gz PXKKEQPBBLRSIM-UHFFFAOYSA-N -2 0 417.443 3.930 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1)C(=O)[O-] ZINC000542731157 1013643306 /nfs/dbraw/zinc/64/33/06/1013643306.db2.gz DSFQOEVYCNGFQR-ZDUSSCGKSA-N -2 0 402.497 3.874 20 0 HHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1)C(=O)[O-] ZINC000542733917 1013645987 /nfs/dbraw/zinc/64/59/87/1013645987.db2.gz JQYMXDFEVGDAOK-SNVBAGLBSA-N -2 0 405.369 3.909 20 0 HHADRL CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877538 966984187 /nfs/dbraw/zinc/98/41/87/966984187.db2.gz BMBUTKRQJGKJBS-UHFFFAOYSA-N -2 0 414.842 3.573 20 0 HHADRL O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000064478088 967204208 /nfs/dbraw/zinc/20/42/08/967204208.db2.gz ITONXGGPBMPCEU-UHFFFAOYSA-N -2 0 422.915 3.942 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)ccc1Cl ZINC000047318215 968137286 /nfs/dbraw/zinc/13/72/86/968137286.db2.gz JZZOEWRKHUNCPF-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c1Cl ZINC000538295858 1013831087 /nfs/dbraw/zinc/83/10/87/1013831087.db2.gz GLVLSQVRMMVAPO-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1Cl ZINC000109410950 969514706 /nfs/dbraw/zinc/51/47/06/969514706.db2.gz CXNYKKDYRYZKDT-UHFFFAOYSA-N -2 0 424.233 3.649 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[N-]c2nnc(C3CC3)s2)cc1 ZINC000109916184 969593553 /nfs/dbraw/zinc/59/35/53/969593553.db2.gz XCRXQQZCYISJEO-UHFFFAOYSA-N -2 0 420.541 3.839 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c(Cl)c1 ZINC000316420727 972648922 /nfs/dbraw/zinc/64/89/22/972648922.db2.gz CFTQBPKVGUOUGL-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000318148087 972659094 /nfs/dbraw/zinc/65/90/94/972659094.db2.gz VOIISWKHUOZYCY-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000324137773 972719679 /nfs/dbraw/zinc/71/96/79/972719679.db2.gz WXYZTXRAYJCPLQ-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000324347228 972720849 /nfs/dbraw/zinc/72/08/49/972720849.db2.gz DPXORVGPMIZIKK-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL COc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000324832087 972725918 /nfs/dbraw/zinc/72/59/18/972725918.db2.gz ZGWNFKQWOIAGCC-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000324882041 972726658 /nfs/dbraw/zinc/72/66/58/972726658.db2.gz RMMYZJMPLQBPPF-UHFFFAOYSA-N -2 0 414.277 3.735 20 0 HHADRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)ccc1Cl ZINC000386975265 972801027 /nfs/dbraw/zinc/80/10/27/972801027.db2.gz YEXLKHYMXJZCPH-UHFFFAOYSA-N -2 0 421.681 3.535 20 0 HHADRL Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000391646452 972843356 /nfs/dbraw/zinc/84/33/56/972843356.db2.gz UXNCZBFRGHHEEE-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(Br)c(C(=O)[O-])c3)c2n1 ZINC000392889459 972858674 /nfs/dbraw/zinc/85/86/74/972858674.db2.gz CULBBFDGHSRCRQ-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccccc1C ZINC000432052720 978662004 /nfs/dbraw/zinc/66/20/04/978662004.db2.gz LWTBCGFCYVJYHK-UHFFFAOYSA-N -2 0 413.499 3.941 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)ccc1Cl ZINC000432647874 978924666 /nfs/dbraw/zinc/92/46/66/978924666.db2.gz WHGGMGUQQBBHOP-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1cc(OCc2ccccc2)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433507510 979344605 /nfs/dbraw/zinc/34/46/05/979344605.db2.gz RQXYYBDNTHOOIC-UHFFFAOYSA-N -2 0 413.451 3.779 20 0 HHADRL CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(C)C ZINC000433601615 979417324 /nfs/dbraw/zinc/41/73/24/979417324.db2.gz ZGDGDOXKEYSSLZ-UHFFFAOYSA-N -2 0 422.478 3.585 20 0 HHADRL CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)C(C)C ZINC000433610222 979423545 /nfs/dbraw/zinc/42/35/45/979423545.db2.gz ONMMUWPWNQTKFP-UHFFFAOYSA-N -2 0 418.515 3.755 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)c(C)c1OCC(=O)[O-] ZINC000433813113 979593443 /nfs/dbraw/zinc/59/34/43/979593443.db2.gz XZRGNMWJQIGMMV-UHFFFAOYSA-N -2 0 407.488 3.571 20 0 HHADRL O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccc(Cl)cc1[O-] ZINC000436575801 981454765 /nfs/dbraw/zinc/45/47/65/981454765.db2.gz PECQSSKAIILGIL-UHFFFAOYSA-N -2 0 409.876 3.555 20 0 HHADRL Cc1ncccc1-c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000436883661 981600734 /nfs/dbraw/zinc/60/07/34/981600734.db2.gz HFOXRELIOUOJKB-UHFFFAOYSA-N -2 0 414.468 3.675 20 0 HHADRL CO[C@@](C)(c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1)C1CC1 ZINC000436955217 981644235 /nfs/dbraw/zinc/64/42/35/981644235.db2.gz JNNDAZSUINZWFH-GOSISDBHSA-N -2 0 421.500 3.576 20 0 HHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)c1 ZINC000436996210 981675042 /nfs/dbraw/zinc/67/50/42/981675042.db2.gz SUGXLNLRZZJYNT-UHFFFAOYSA-N -2 0 405.472 3.741 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000460460404 982254319 /nfs/dbraw/zinc/25/43/19/982254319.db2.gz PPMPWGBPVTZCSA-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL COc1ccc2nc(/C=C/c3ccc(OCCC(=O)[O-])c(OC)c3)cc(C(=O)[O-])c2c1 ZINC000460768849 982522577 /nfs/dbraw/zinc/52/25/77/982522577.db2.gz MNLCEVWSJUDCAK-HWKANZROSA-N -2 0 423.421 3.974 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cc1C(=O)[O-] ZINC000441338619 984194379 /nfs/dbraw/zinc/19/43/79/984194379.db2.gz SZQVOZZAAHLRGS-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000463378612 986344938 /nfs/dbraw/zinc/34/49/38/986344938.db2.gz WTKGTDAPKQYBHF-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1cc(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000444463214 986645180 /nfs/dbraw/zinc/64/51/80/986645180.db2.gz IDJCXNFQFNRHNJ-UHFFFAOYSA-N -2 0 416.437 3.600 20 0 HHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1)C(=O)[O-] ZINC000463784813 986775552 /nfs/dbraw/zinc/77/55/52/986775552.db2.gz ULQZMPFJSSEONW-NSHDSACASA-N -2 0 418.334 3.965 20 0 HHADRL CCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)cc1Cl ZINC000464540301 988718529 /nfs/dbraw/zinc/71/85/29/988718529.db2.gz IOMQHIQHLHIBMW-UHFFFAOYSA-N -2 0 407.275 3.713 20 0 HHADRL Cc1cc(C(=O)Nc2cccc(COc3ccccc3)c2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000471443743 989628388 /nfs/dbraw/zinc/62/83/88/989628388.db2.gz NPMADFWJVDNIFB-UHFFFAOYSA-N -2 0 416.437 3.884 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2nn([C@@H](C)c3ccccc3)cc2C)sc1C(=O)[O-] ZINC000471563905 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CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1OCC ZINC000410399150 973998643 /nfs/dbraw/zinc/99/86/43/973998643.db2.gz DEGOWDROZGKVNS-UHFFFAOYSA-N -2 0 423.487 3.770 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000432082739 978673224 /nfs/dbraw/zinc/67/32/24/978673224.db2.gz UUBUWLKDYPGCIX-UHFFFAOYSA-N -2 0 421.425 3.602 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)ccc1C(=O)[O-] ZINC000432781851 978973041 /nfs/dbraw/zinc/97/30/41/978973041.db2.gz UFRPOLAJIGDZIU-UHFFFAOYSA-N -2 0 410.498 3.688 20 0 HHADRL Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)ccc2C)c1 ZINC000433521848 979355574 /nfs/dbraw/zinc/35/55/74/979355574.db2.gz WTXUAKJSBPICRI-UHFFFAOYSA-N -2 0 414.439 3.695 20 0 HHADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000434628213 980306787 /nfs/dbraw/zinc/30/67/87/980306787.db2.gz OPAWFDGXEMYEOZ-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL O=S(=O)([N-]c1ccc(-c2nc(-c3ccc(F)cn3)no2)c([O-])c1)c1cccs1 ZINC000436562603 981446409 /nfs/dbraw/zinc/44/64/09/981446409.db2.gz BGFMNOHOYZZIET-UHFFFAOYSA-N -2 0 418.431 3.506 20 0 HHADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000436606055 981470390 /nfs/dbraw/zinc/47/03/90/981470390.db2.gz LOCSHJSWHVITRE-UHFFFAOYSA-N -2 0 417.361 3.503 20 0 HHADRL Cc1cc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000436637205 981487083 /nfs/dbraw/zinc/48/70/83/981487083.db2.gz UKGVBYWURFYGOI-UHFFFAOYSA-N -3 0 415.620 3.663 20 0 HHADRL CC(=O)c1ccc([O-])c(NC(=O)CCCCC(=O)Nc2cc(C(C)=O)ccc2[O-])c1 ZINC000436680713 981508920 /nfs/dbraw/zinc/50/89/20/981508920.db2.gz NZSZISDRCLQAGE-UHFFFAOYSA-N -2 0 412.442 3.641 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(-c3ncc(C(C)C)o3)cc2)c1 ZINC000436813828 981572898 /nfs/dbraw/zinc/57/28/98/981572898.db2.gz GGZIJQXHSURUAW-UHFFFAOYSA-N -2 0 416.455 3.978 20 0 HHADRL CC(=O)c1ccc([O-])c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000436860419 981595683 /nfs/dbraw/zinc/59/56/83/981595683.db2.gz GDUYCSGPTKGATH-UHFFFAOYSA-N -2 0 424.478 3.956 20 0 HHADRL O=S(=O)([N-]c1ccc(-c2nc(Cc3cccs3)no2)c([O-])c1)c1cccs1 ZINC000436895249 981604566 /nfs/dbraw/zinc/60/45/66/981604566.db2.gz WCFMWYIDKSECTR-UHFFFAOYSA-N -2 0 419.509 3.957 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccc(C)s2)cc1C(=O)[O-] ZINC000437656822 982274292 /nfs/dbraw/zinc/27/42/92/982274292.db2.gz PWOMTRRKRLDUMQ-UHFFFAOYSA-N -2 0 404.469 3.626 20 0 HHADRL O=C([O-])COc1ccc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)cc1Cl ZINC000438754697 983047539 /nfs/dbraw/zinc/04/75/39/983047539.db2.gz DLHHCRVIQJMGEB-UHFFFAOYSA-N -2 0 423.796 3.709 20 0 HHADRL CCCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000438764951 983056226 /nfs/dbraw/zinc/05/62/26/983056226.db2.gz QLILHDJUBOSDPE-UHFFFAOYSA-N -2 0 419.425 3.755 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)cc1Cl ZINC000438781282 983067623 /nfs/dbraw/zinc/06/76/23/983067623.db2.gz UYSHWWSSBZBBCV-UHFFFAOYSA-N -2 0 424.887 3.875 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cc1Cl ZINC000438811243 983085909 /nfs/dbraw/zinc/08/59/09/983085909.db2.gz YMKHBFRDKINFPK-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2OC[C@H]2CCCCO2)cc1C(=O)[O-] ZINC000440817825 983919757 /nfs/dbraw/zinc/91/97/57/983919757.db2.gz REUSNBVOQJZTMC-MRXNPFEDSA-N -2 0 419.499 3.696 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000441319915 984180530 /nfs/dbraw/zinc/18/05/30/984180530.db2.gz WYGAYNXXVFXAPI-UHFFFAOYSA-N -2 0 403.378 3.689 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c(Cl)c1 ZINC000462071901 985043653 /nfs/dbraw/zinc/04/36/53/985043653.db2.gz NIVDCGGDVJWTGD-UHFFFAOYSA-N -2 0 424.887 3.875 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000462100220 985070792 /nfs/dbraw/zinc/07/07/92/985070792.db2.gz HGYAHGXDOHFWAT-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000462102037 985072724 /nfs/dbraw/zinc/07/27/24/985072724.db2.gz NFKPGSDKPGPATP-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)c(Cl)cc1C(=O)[O-] ZINC000467931361 985564629 /nfs/dbraw/zinc/56/46/29/985564629.db2.gz LITXHIBIWWNQMF-UHFFFAOYSA-N -2 0 422.846 3.811 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c(O)c1 ZINC000468521368 986225143 /nfs/dbraw/zinc/22/51/43/986225143.db2.gz CQZQUFRIERETEC-UHFFFAOYSA-N -2 0 411.863 3.724 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCC(C)C)cc1 ZINC000467070524 992376993 /nfs/dbraw/zinc/37/69/93/992376993.db2.gz DZPVZBVGPKHNPP-UHFFFAOYSA-N -2 0 407.488 3.548 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1OC ZINC000467321502 992643484 /nfs/dbraw/zinc/64/34/84/992643484.db2.gz FWSMCWSUIZWLDA-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(Cl)c1 ZINC000467746641 992994742 /nfs/dbraw/zinc/99/47/42/992994742.db2.gz PBBXIJNVCWKABF-UHFFFAOYSA-N -2 0 422.846 3.714 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1OCc1ccccc1 ZINC000467749917 992996894 /nfs/dbraw/zinc/99/68/94/992996894.db2.gz SVVGQYKNEAJZPS-UHFFFAOYSA-N -2 0 401.440 3.974 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3Cl)c2)c1 ZINC000473435822 994286679 /nfs/dbraw/zinc/28/66/79/994286679.db2.gz SIQGSEAKKGHPDN-UHFFFAOYSA-N -2 0 418.283 3.740 20 0 HHADRL Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000481952655 994833541 /nfs/dbraw/zinc/83/35/41/994833541.db2.gz AKFASCNYIMMPEZ-UHFFFAOYSA-N -2 0 424.478 3.675 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1Br ZINC000476254374 996708989 /nfs/dbraw/zinc/70/89/89/996708989.db2.gz FEEJVNUQAGHFNB-UHFFFAOYSA-N -2 0 422.203 3.550 20 0 HHADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000476259095 996712184 /nfs/dbraw/zinc/71/21/84/996712184.db2.gz LMPLTWABROMLDG-UHFFFAOYSA-N -2 0 403.847 3.604 20 0 HHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000476371502 996806229 /nfs/dbraw/zinc/80/62/29/996806229.db2.gz FCRLVZOTUWBASC-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000476374364 996810932 /nfs/dbraw/zinc/81/09/32/996810932.db2.gz NHESRRRAWTXTAN-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000476412468 996873764 /nfs/dbraw/zinc/87/37/64/996873764.db2.gz RQISCENCVJGYQN-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1Br ZINC000484556868 996889609 /nfs/dbraw/zinc/88/96/09/996889609.db2.gz MBZNXVLHLGWGJZ-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2-c2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC000476422981 996890266 /nfs/dbraw/zinc/89/02/66/996890266.db2.gz MZTLYDDAWWHMCO-UHFFFAOYSA-N -2 0 410.373 3.608 20 0 HHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Br)c3)c2n1 ZINC000476425102 996892165 /nfs/dbraw/zinc/89/21/65/996892165.db2.gz RMVUWYJNRNPZAV-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000484955114 997332650 /nfs/dbraw/zinc/33/26/50/997332650.db2.gz GORGRRWEVUGOHP-UHFFFAOYSA-N -2 0 417.405 3.840 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000485162693 997544805 /nfs/dbraw/zinc/54/48/05/997544805.db2.gz BEWKMSUQAMMQIZ-UHFFFAOYSA-N -2 0 408.838 3.984 20 0 HHADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)c1 ZINC000485267293 997660750 /nfs/dbraw/zinc/66/07/50/997660750.db2.gz FGXLUKMKJFEIGW-CYBMUJFWSA-N -2 0 418.446 3.620 20 0 HHADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c1 ZINC000485271847 997666630 /nfs/dbraw/zinc/66/66/30/997666630.db2.gz XFPGERSTRHTTNY-UHFFFAOYSA-N -2 0 401.415 3.904 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(CSC)cc2)c(Cl)cc1C(=O)[O-] ZINC000485276653 997670989 /nfs/dbraw/zinc/67/09/89/997670989.db2.gz PKLMKXROJNNXPA-UHFFFAOYSA-N -2 0 401.893 3.711 20 0 HHADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)cn2)cc1 ZINC000485278435 997672893 /nfs/dbraw/zinc/67/28/93/997672893.db2.gz ZTQJMDLMVINKDV-UHFFFAOYSA-N -2 0 402.403 3.820 20 0 HHADRL CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(OCCC(=O)[O-])c2)C1 ZINC000477086140 997740949 /nfs/dbraw/zinc/74/09/49/997740949.db2.gz GIHDLXPXKDQFIQ-LFIBNONCSA-N -2 0 418.449 3.773 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000485386260 997813539 /nfs/dbraw/zinc/81/35/39/997813539.db2.gz WNKZKPOUYSQDSH-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1 ZINC000486085532 998532507 /nfs/dbraw/zinc/53/25/07/998532507.db2.gz JSHLUZLXDYPIBQ-UHFFFAOYSA-N -2 0 419.377 3.871 20 0 HHADRL CC(C)c1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccccc1 ZINC000486109853 998557169 /nfs/dbraw/zinc/55/71/69/998557169.db2.gz PEUTUCXCOYDOIN-UHFFFAOYSA-N -2 0 403.435 3.634 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000479186665 999316544 /nfs/dbraw/zinc/31/65/44/999316544.db2.gz IYHJEJSVPIJGSI-UHFFFAOYSA-N -2 0 421.368 3.671 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc(Cl)c1Cl ZINC000479200763 999323570 /nfs/dbraw/zinc/32/35/70/999323570.db2.gz WIZUZEPBHXKZNK-UHFFFAOYSA-N -2 0 415.176 3.906 20 0 HHADRL CSc1ccccc1S(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-] ZINC000479201530 999323985 /nfs/dbraw/zinc/32/39/85/999323985.db2.gz HOGOTFYIBLXZFV-UHFFFAOYSA-N -2 0 416.318 3.978 20 0 HHADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1 ZINC000479365235 999405890 /nfs/dbraw/zinc/40/58/90/999405890.db2.gz PYHCEICTFBEGIC-UHFFFAOYSA-N -2 0 421.805 3.757 20 0 HHADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479433958 999414863 /nfs/dbraw/zinc/41/48/63/999414863.db2.gz DENGREDBANTWLR-UHFFFAOYSA-N -2 0 417.270 3.759 20 0 HHADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)n1 ZINC000479453482 999424575 /nfs/dbraw/zinc/42/45/75/999424575.db2.gz HVMYQHILMRHIFC-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1 ZINC000488327710 999442436 /nfs/dbraw/zinc/44/24/36/999442436.db2.gz MPCCWAHBMWTOLC-UHFFFAOYSA-N -2 0 407.391 3.806 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)cc1Cl ZINC000479542962 999469544 /nfs/dbraw/zinc/46/95/44/999469544.db2.gz PAVRJMOLNRPZCI-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)c(C)c1OCC(=O)[O-] ZINC000479564184 999479836 /nfs/dbraw/zinc/47/98/36/999479836.db2.gz FAESYCJRUQOZRM-UHFFFAOYSA-N -2 0 407.488 3.571 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cnn1-c1ccccc1Cl ZINC000480213966 999747073 /nfs/dbraw/zinc/74/70/73/999747073.db2.gz AFFJHSASLZJFAA-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)cc1C(=O)[O-] ZINC000480216867 999747918 /nfs/dbraw/zinc/74/79/18/999747918.db2.gz WFTQPOKBWSXCDP-UHFFFAOYSA-N -2 0 409.435 3.512 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)cnn1C(CC)CC ZINC000480243870 999754991 /nfs/dbraw/zinc/75/49/91/999754991.db2.gz FUAHPOWLNUUDRI-UHFFFAOYSA-N -2 0 423.535 3.688 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c(Cl)c1 ZINC000489719295 999824171 /nfs/dbraw/zinc/82/41/71/999824171.db2.gz GHVHKJMSKOCPAL-UHFFFAOYSA-N -2 0 409.769 3.780 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000491582332 1000085812 /nfs/dbraw/zinc/08/58/12/1000085812.db2.gz WUEGLAHAZAIDHV-UHFFFAOYSA-N -2 0 423.450 3.738 20 0 HHADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000504666378 1000316469 /nfs/dbraw/zinc/31/64/69/1000316469.db2.gz SJVUOIVGWGJCQW-AWEZNQCLSA-N -2 0 411.549 3.522 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COc2ccc(F)cc2)c1 ZINC000507548758 1002154923 /nfs/dbraw/zinc/15/49/23/1002154923.db2.gz JGHLUAIAJXXVQO-UHFFFAOYSA-N -2 0 405.403 3.805 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000507637254 1002238594 /nfs/dbraw/zinc/23/85/94/1002238594.db2.gz OQRVLKGPTGRCKW-UHFFFAOYSA-N -2 0 414.411 3.742 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(-c2ccc(Cl)cc2)cc1C ZINC000499501131 1002889678 /nfs/dbraw/zinc/88/96/78/1002889678.db2.gz FQHDJUCVGDSTJC-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL COc1cc(C)ccc1Oc1ccc(F)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000509615818 1003982603 /nfs/dbraw/zinc/98/26/03/1003982603.db2.gz VMRIGGRXRYTBOF-UHFFFAOYSA-N -2 0 420.418 3.762 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2C)c1 ZINC000512772257 1004550637 /nfs/dbraw/zinc/55/06/37/1004550637.db2.gz XKWJVQGZNJAQOB-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc1 ZINC000511244353 1005088329 /nfs/dbraw/zinc/08/83/29/1005088329.db2.gz STRPOZJKMOJMDS-AWEZNQCLSA-N -2 0 418.515 3.837 20 0 HHADRL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1F ZINC000511350536 1005134996 /nfs/dbraw/zinc/13/49/96/1005134996.db2.gz LTNFHOJPZVELES-UHFFFAOYSA-N -2 0 420.418 3.525 20 0 HHADRL COc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(-c3ccc(C(=O)[O-])cc3)nc2c1 ZINC000513859256 1005162107 /nfs/dbraw/zinc/16/21/07/1005162107.db2.gz JMNRAGRPKDSZHW-UHFFFAOYSA-N -2 0 423.450 3.738 20 0 HHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000511695048 1005280451 /nfs/dbraw/zinc/28/04/51/1005280451.db2.gz JIRSVFVPOSQDFX-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1C1CC1 ZINC000534234285 1006235114 /nfs/dbraw/zinc/23/51/14/1006235114.db2.gz FMTHIGMEQCCUKZ-LBPRGKRZSA-N -2 0 403.504 3.719 20 0 HHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1C1CC1 ZINC000534236814 1006241310 /nfs/dbraw/zinc/24/13/10/1006241310.db2.gz FQYPZDRCEMJTBH-ZDUSSCGKSA-N -2 0 419.503 3.580 20 0 HHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1C1CC1 ZINC000534236797 1006241849 /nfs/dbraw/zinc/24/18/49/1006241849.db2.gz FQYPZDRCEMJTBH-CYBMUJFWSA-N -2 0 419.503 3.580 20 0 HHADRL CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000531579100 1006283472 /nfs/dbraw/zinc/28/34/72/1006283472.db2.gz UJFKUBRGWMXGIG-UHFFFAOYSA-N -2 0 421.379 3.837 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])sc1C(=O)[O-] ZINC000515696889 1006595133 /nfs/dbraw/zinc/59/51/33/1006595133.db2.gz HSYNWCXAOXYOFN-UHFFFAOYSA-N -3 0 423.493 3.982 20 0 HHADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(Br)c(C(=O)[O-])c3)c2n1 ZINC000532612300 1007039627 /nfs/dbraw/zinc/03/96/27/1007039627.db2.gz MWSWRYYZJRJLDJ-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC1CCCCC1 ZINC000535025540 1007069904 /nfs/dbraw/zinc/06/99/04/1007069904.db2.gz ZAYGAVOMKHUAQI-UHFFFAOYSA-N -2 0 404.488 3.939 20 0 HHADRL Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000517037388 1007376332 /nfs/dbraw/zinc/37/63/32/1007376332.db2.gz XFUGUUQSJDOQQH-UHFFFAOYSA-N -2 0 424.478 3.675 20 0 HHADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1 ZINC000533164901 1007502611 /nfs/dbraw/zinc/50/26/11/1007502611.db2.gz UAUKIYHRQLAXKU-UHFFFAOYSA-N -2 0 410.451 3.597 20 0 HHADRL Cc1cc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000533165782 1007503439 /nfs/dbraw/zinc/50/34/39/1007503439.db2.gz TWPCXYFIUCGWCG-UHFFFAOYSA-N -2 0 417.361 3.519 20 0 HHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])cc1 ZINC000539237806 1007530554 /nfs/dbraw/zinc/53/05/54/1007530554.db2.gz CVYRRFUJSWPZQV-UHFFFAOYSA-N -3 0 417.464 3.541 20 0 HHADRL CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000543166877 1008743518 /nfs/dbraw/zinc/74/35/18/1008743518.db2.gz XPBWSDSTJURVCU-UHFFFAOYSA-N -2 0 405.806 3.904 20 0 HHADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000520626381 1009703109 /nfs/dbraw/zinc/70/31/09/1009703109.db2.gz LAZVNJABQGJQKT-UHFFFAOYSA-N -2 0 415.920 3.889 20 0 HHADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cc3nc(C(=O)[O-])cs3)cc2)c1 ZINC000544099610 1009710135 /nfs/dbraw/zinc/71/01/35/1009710135.db2.gz TXRXDGKTPMSWRT-UHFFFAOYSA-N -2 0 406.460 3.680 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000521414315 1010361824 /nfs/dbraw/zinc/36/18/24/1010361824.db2.gz CUEIIFTUXIKYPR-UHFFFAOYSA-N -2 0 417.361 3.519 20 0 HHADRL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000547609437 1010362858 /nfs/dbraw/zinc/36/28/58/1010362858.db2.gz RPRFLMQKOXBYIB-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000547611860 1010363775 /nfs/dbraw/zinc/36/37/75/1010363775.db2.gz WFJNUIFUFRWBMH-UHFFFAOYSA-N -2 0 409.851 3.504 20 0 HHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000548530384 1010657389 /nfs/dbraw/zinc/65/73/89/1010657389.db2.gz PXQKJVZOWKXCMI-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(N(C)C)cc3C(=O)[O-])s2)cs1 ZINC000548539124 1010659781 /nfs/dbraw/zinc/65/97/81/1010659781.db2.gz PNZYBWAGVGZELU-UHFFFAOYSA-N -2 0 423.541 3.745 20 0 HHADRL O=S(=O)([N-]c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000545215518 1010687228 /nfs/dbraw/zinc/68/72/28/1010687228.db2.gz IGFGUVVVQSINMR-UHFFFAOYSA-N -2 0 424.450 3.566 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)n(-c3ccccc3Cl)n2)sc1C(=O)[O-] ZINC000540695947 1011348182 /nfs/dbraw/zinc/34/81/82/1011348182.db2.gz DJRBVNHQGZDFPT-UHFFFAOYSA-N -2 0 411.892 3.703 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])s1 ZINC000536391992 1011600322 /nfs/dbraw/zinc/60/03/22/1011600322.db2.gz UGLSWQLDPQAIJT-UHFFFAOYSA-N -2 0 408.270 3.766 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000541307320 1012013556 /nfs/dbraw/zinc/01/35/56/1012013556.db2.gz KLUMXWREBYKVAV-SNVBAGLBSA-N -2 0 411.863 3.726 20 0 HHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000541307681 1012015238 /nfs/dbraw/zinc/01/52/38/1012015238.db2.gz ORCIOHLPYIMJKH-SNVBAGLBSA-N -2 0 416.268 3.967 20 0 HHADRL 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ZINC000555422036 1073446317 /nfs/dbraw/zinc/44/63/17/1073446317.db2.gz CHDQOEFUQINAHT-UHFFFAOYSA-N -2 0 403.378 3.992 20 0 HHADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(C(F)(F)F)c1 ZINC000591679225 1074468789 /nfs/dbraw/zinc/46/87/89/1074468789.db2.gz NHNPCOXNXCBMKQ-UHFFFAOYSA-N -2 0 422.406 3.533 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)sc1C(=O)[O-] ZINC000591683312 1074486292 /nfs/dbraw/zinc/48/62/92/1074486292.db2.gz VJYHREREIRHRMW-UHFFFAOYSA-N -2 0 404.469 3.530 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)cc2)c1 ZINC000015244610 962697123 /nfs/dbraw/zinc/69/71/23/962697123.db2.gz PRHFSJPZJFHVGY-UHFFFAOYSA-N -2 0 420.443 3.639 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000057117470 965287947 /nfs/dbraw/zinc/28/79/47/965287947.db2.gz OSNVEEREINPBLQ-UHFFFAOYSA-N -2 0 413.879 3.564 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C)cc2)nc1 ZINC000055621669 965968766 /nfs/dbraw/zinc/96/87/66/965968766.db2.gz 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/nfs/dbraw/zinc/72/34/78/972723478.db2.gz ZPGKIBMTMNFZJH-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL CSc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)cc2s1 ZINC000324663973 972724221 /nfs/dbraw/zinc/72/42/21/972724221.db2.gz LTXDAAXVSLLLKU-UHFFFAOYSA-N -2 0 400.528 3.887 20 0 HHADRL Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000325939647 972736874 /nfs/dbraw/zinc/73/68/74/972736874.db2.gz XJNCJHMHZIFVKA-UHFFFAOYSA-N -2 0 424.194 3.674 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c(Br)s1 ZINC000386341269 972799233 /nfs/dbraw/zinc/79/92/33/972799233.db2.gz RVYZOVVUTXJQGK-UHFFFAOYSA-N -2 0 412.233 3.947 20 0 HHADRL COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1Br ZINC000391847373 972844936 /nfs/dbraw/zinc/84/49/36/972844936.db2.gz XPKQPMPVMNUDNJ-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000395477166 972867996 /nfs/dbraw/zinc/86/79/96/972867996.db2.gz KFPPMQXWXLGQRV-UHFFFAOYSA-N -2 0 406.204 3.886 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cncc3ccccc32)c1Br ZINC000396419330 972868642 /nfs/dbraw/zinc/86/86/42/972868642.db2.gz FBPPMNZJWDLBKH-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc3ccccc32)c(Br)s1 ZINC000396528459 972870587 /nfs/dbraw/zinc/87/05/87/972870587.db2.gz RFCQAGPESAYXJV-UHFFFAOYSA-N -2 0 413.274 3.558 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)cc1F ZINC000410378525 973977431 /nfs/dbraw/zinc/97/74/31/973977431.db2.gz BPUSIKBTRUSRDI-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000410398748 973998401 /nfs/dbraw/zinc/99/84/01/973998401.db2.gz AUQHZOVVMMIPAU-UHFFFAOYSA-N -2 0 400.456 3.829 20 0 HHADRL CCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1C(F)(F)F ZINC000410410151 974009312 /nfs/dbraw/zinc/00/93/12/974009312.db2.gz ZMIRDVLRBRWWPN-UHFFFAOYSA-N -2 0 405.398 3.544 20 0 HHADRL Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3OC(C)C)cc2s1 ZINC000427328913 975056580 /nfs/dbraw/zinc/05/65/80/975056580.db2.gz FNJWHCVADXPMMM-UHFFFAOYSA-N -2 0 406.485 3.891 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccc(F)cc1 ZINC000432047123 978660421 /nfs/dbraw/zinc/66/04/21/978660421.db2.gz GQFCEDUSKJXTBN-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccccc1C ZINC000432050831 978661405 /nfs/dbraw/zinc/66/14/05/978661405.db2.gz AZAMFKLWRQNTRB-UHFFFAOYSA-N -2 0 405.501 3.694 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c(Cl)cc1C(=O)[O-] ZINC000432197048 978709777 /nfs/dbraw/zinc/70/97/77/978709777.db2.gz VIENJZSHTHYHOL-UHFFFAOYSA-N -2 0 422.846 3.866 20 0 HHADRL CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(C)C ZINC000433594849 979412066 /nfs/dbraw/zinc/41/20/66/979412066.db2.gz NYIUYIINUVVZCV-UHFFFAOYSA-N -2 0 410.517 3.508 20 0 HHADRL CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1)C(C)C ZINC000433598605 979414791 /nfs/dbraw/zinc/41/47/91/979414791.db2.gz GRTCJALOQYXYPE-UHFFFAOYSA-N -2 0 424.544 3.816 20 0 HHADRL Nc1c([N-]S(=O)(=O)c2cccc3ccccc32)cc(Br)cc1C(=O)[O-] ZINC000436473690 981392519 /nfs/dbraw/zinc/39/25/19/981392519.db2.gz BPBRZIDCMWZRHO-UHFFFAOYSA-N -2 0 421.272 3.684 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)c1 ZINC000436723616 981532621 /nfs/dbraw/zinc/53/26/21/981532621.db2.gz OHIIJQFMQBSVKE-UHFFFAOYSA-N -2 0 414.439 3.695 20 0 HHADRL O=C([O-])c1cc(OC2CCCCC2)c(F)cc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000438775467 983063514 /nfs/dbraw/zinc/06/35/14/983063514.db2.gz QMFBEHGUQOWGPE-UHFFFAOYSA-N -2 0 412.414 3.570 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c(F)c1 ZINC000438809573 983084538 /nfs/dbraw/zinc/08/45/38/983084538.db2.gz INGBUYGVAKVOJE-UHFFFAOYSA-N -2 0 420.443 3.639 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1Cc1ccccc1 ZINC000462079889 985051491 /nfs/dbraw/zinc/05/14/91/985051491.db2.gz QMQRKWTUVMJSNO-UHFFFAOYSA-N -2 0 401.440 3.686 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c(C)c(OC)c1 ZINC000443414391 985570030 /nfs/dbraw/zinc/57/00/30/985570030.db2.gz IJPCOMZNYTXTAF-UHFFFAOYSA-N -2 0 413.517 3.870 20 0 HHADRL COc1ccc(-c2nc3ccccc3[nH]2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000443420920 985577875 /nfs/dbraw/zinc/57/78/75/985577875.db2.gz ANMXQGZKVBFTQE-UHFFFAOYSA-N -2 0 423.450 3.738 20 0 HHADRL COc1cccc(Oc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)cc2)c1 ZINC000468095308 985754026 /nfs/dbraw/zinc/75/40/26/985754026.db2.gz CLHNIFLRWBLVSZ-UHFFFAOYSA-N -2 0 418.409 3.798 20 0 HHADRL COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000468358069 986055999 /nfs/dbraw/zinc/05/59/99/986055999.db2.gz HRVYJYOHXSYNGL-LLVKDONJSA-N -2 0 413.879 3.561 20 0 HHADRL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000468365940 986064144 /nfs/dbraw/zinc/06/41/44/986064144.db2.gz AWISDRWAMUCFMX-GFCCVEGCSA-N -2 0 413.879 3.561 20 0 HHADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000463778942 986769050 /nfs/dbraw/zinc/76/90/50/986769050.db2.gz DLCRLAVJLAXBPE-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL COc1cc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])ccc1OCCC(=O)[O-] ZINC000470246490 988188418 /nfs/dbraw/zinc/18/84/18/988188418.db2.gz GCYUPXMOIMYWIS-VQHVLOKHSA-N -2 0 420.421 3.874 20 0 HHADRL O=S(=O)(Cc1ccccc1F)[N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000464424986 988597348 /nfs/dbraw/zinc/59/73/48/988597348.db2.gz IVHPCLUPLUZHOW-UHFFFAOYSA-N -2 0 420.487 3.568 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc(C(=O)[O-])c1C ZINC000471127241 989235459 /nfs/dbraw/zinc/23/54/59/989235459.db2.gz KMBOGLNNCJSUQZ-UHFFFAOYSA-N -2 0 403.378 3.744 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)cc1Cl ZINC000471137084 989247771 /nfs/dbraw/zinc/24/77/71/989247771.db2.gz PZTNFTJTJFJKGH-UHFFFAOYSA-N -2 0 413.789 3.507 20 0 HHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000471566965 989767543 /nfs/dbraw/zinc/76/75/43/989767543.db2.gz RYSUGZWHRICFQB-ZDUSSCGKSA-N -2 0 419.890 3.953 20 0 HHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000471581584 989784963 /nfs/dbraw/zinc/78/49/63/989784963.db2.gz JHLOIQKNCMWOHP-ZDUSSCGKSA-N -2 0 419.890 3.953 20 0 HHADRL Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000467549746 992828144 /nfs/dbraw/zinc/82/81/44/992828144.db2.gz CKKGQGCQDOVDEU-UHFFFAOYSA-N -2 0 424.404 3.960 20 0 HHADRL COc1cccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2)c1 ZINC000467752926 992999133 /nfs/dbraw/zinc/99/91/33/992999133.db2.gz IFEUYAAYGWAKST-UHFFFAOYSA-N -2 0 403.412 3.888 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1Oc1cccc(C)c1C ZINC000467757853 993002413 /nfs/dbraw/zinc/00/24/13/993002413.db2.gz YUQOYUJTVGJNPK-UHFFFAOYSA-N -2 0 402.428 3.891 20 0 HHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3Cl)c2)c1 ZINC000473439236 994289053 /nfs/dbraw/zinc/28/90/53/994289053.db2.gz XTQUQFNKXDFKSO-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)nc2)cc1 ZINC000481980121 994875370 /nfs/dbraw/zinc/87/53/70/994875370.db2.gz LPURSIPXTBFUEO-UHFFFAOYSA-N -2 0 418.858 3.955 20 0 HHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000475751434 996348529 /nfs/dbraw/zinc/34/85/29/996348529.db2.gz UJUUCCVPLJGVQO-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc(OC)c1C(C)C ZINC000484258145 996663482 /nfs/dbraw/zinc/66/34/82/996663482.db2.gz AUZPRHVMBITKLE-UHFFFAOYSA-N -2 0 413.879 3.980 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000484545988 996878762 /nfs/dbraw/zinc/87/87/62/996878762.db2.gz PGYPUUPHQBLHKV-UHFFFAOYSA-N -2 0 413.451 3.773 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)ccc1C(=O)[O-] ZINC000476744698 997296622 /nfs/dbraw/zinc/29/66/22/997296622.db2.gz XALCBYPJTQGGAA-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(Br)ccc2Cl)cccc1C(=O)[O-] ZINC000476766035 997323946 /nfs/dbraw/zinc/32/39/46/997323946.db2.gz VHVZAAYGLAMPPH-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000484951757 997329135 /nfs/dbraw/zinc/32/91/35/997329135.db2.gz SWTTUCGXEYNKRG-UHFFFAOYSA-N -2 0 424.194 3.674 20 0 HHADRL CCc1cccc(S(=O)(=O)[N-]c2c(OC)ccc(Br)c2C(=O)[O-])c1 ZINC000484972100 997341370 /nfs/dbraw/zinc/34/13/70/997341370.db2.gz QFIAPNXPSOEETC-UHFFFAOYSA-N -2 0 414.277 3.519 20 0 HHADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1F ZINC000485107356 997487499 /nfs/dbraw/zinc/48/74/99/997487499.db2.gz VJPCYJVLMYDFNQ-UHFFFAOYSA-N -2 0 413.224 3.569 20 0 HHADRL COc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)cn2)cc1 ZINC000485252755 997641414 /nfs/dbraw/zinc/64/14/14/997641414.db2.gz KQDJMSXOPSJXMN-UHFFFAOYSA-N -2 0 418.402 3.521 20 0 HHADRL Cc1cc(Br)c(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000477359598 998047468 /nfs/dbraw/zinc/04/74/68/998047468.db2.gz LNYUVRAIVYIYQU-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)cc1C(=O)[O-] ZINC000486266934 998684918 /nfs/dbraw/zinc/68/49/18/998684918.db2.gz DISXDXBIMAPAER-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000479187819 999317064 /nfs/dbraw/zinc/31/70/64/999317064.db2.gz KMANMEVSUKIFPQ-GFCCVEGCSA-N -2 0 402.394 3.555 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)nn1-c1cccc(F)c1 ZINC000479240241 999340168 /nfs/dbraw/zinc/34/01/68/999340168.db2.gz JVOLJCKEFIINLP-UHFFFAOYSA-N -2 0 423.853 3.781 20 0 HHADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3cc(Cl)c(C)c(C(=O)[O-])c3)cccc21 ZINC000479259822 999351962 /nfs/dbraw/zinc/35/19/62/999351962.db2.gz QAIYPEODXCSONR-MRXNPFEDSA-N -2 0 411.863 3.617 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)cc1C(=O)[O-] ZINC000479537915 999466730 /nfs/dbraw/zinc/46/67/30/999466730.db2.gz HUGUKYJWZYLGKB-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000479559192 999477407 /nfs/dbraw/zinc/47/74/07/999477407.db2.gz ZDJYCMWNXPRNEB-UHFFFAOYSA-N -2 0 423.752 3.556 20 0 HHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1)C(=O)[O-] ZINC000489313660 999743983 /nfs/dbraw/zinc/74/39/83/999743983.db2.gz NSSBGRWKXLODSM-LBPRGKRZSA-N -2 0 402.394 3.555 20 0 HHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1C ZINC000480220431 999748793 /nfs/dbraw/zinc/74/87/93/999748793.db2.gz RBTAGTWPENFYRI-CQSZACIVSA-N -2 0 409.508 3.515 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1cccc(Cl)c1 ZINC000480240154 999753912 /nfs/dbraw/zinc/75/39/12/999753912.db2.gz HMDGHHUZWQIDTM-UHFFFAOYSA-N -2 0 419.890 3.516 20 0 HHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3c(F)cccc3OC(F)(F)F)ccc12 ZINC000489375245 999754274 /nfs/dbraw/zinc/75/42/74/999754274.db2.gz AVIMJVHJVKKJEA-UHFFFAOYSA-N -2 0 418.324 3.705 20 0 HHADRL CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)n1 ZINC000489589165 999798385 /nfs/dbraw/zinc/79/83/85/999798385.db2.gz SZNIRJGUGSWMGV-UHFFFAOYSA-N -2 0 421.862 3.760 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)c(Cl)c1 ZINC000489717075 999823708 /nfs/dbraw/zinc/82/37/08/999823708.db2.gz OKVUOQUDYBVSEW-UHFFFAOYSA-N -2 0 418.862 3.502 20 0 HHADRL Cc1nc(C=Cc2cccc(OCc3ccccc3C(=O)[O-])c2)[nH]c(=O)c1CC(=O)[O-] ZINC000504741743 1000350408 /nfs/dbraw/zinc/35/04/08/1000350408.db2.gz MNKLPLXFYJLLMR-KTKRTIGZSA-N -2 0 420.421 3.565 20 0 HHADRL CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cn(CC(=O)[O-])nn2)C1 ZINC000494482409 1000516575 /nfs/dbraw/zinc/51/65/75/1000516575.db2.gz LBHKHQOCLXQWNX-KADHNRKRSA-N -2 0 420.469 3.758 20 0 HHADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2C(=O)[O-])c1 ZINC000506674739 1001490210 /nfs/dbraw/zinc/49/02/10/1001490210.db2.gz LUBZBXNYNMZUSU-UHFFFAOYSA-N -2 0 407.488 3.638 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nn1-c1cccc(Cl)c1 ZINC000507918295 1002452642 /nfs/dbraw/zinc/45/26/42/1002452642.db2.gz FQRINIPEPQTWJA-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000507969394 1002501366 /nfs/dbraw/zinc/50/13/66/1002501366.db2.gz VUBZACCLCKRUCK-UHFFFAOYSA-N -2 0 407.341 3.529 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509090066 1003545159 /nfs/dbraw/zinc/54/51/59/1003545159.db2.gz OBTNBWKEIOIHKH-UHFFFAOYSA-N -2 0 417.405 3.840 20 0 HHADRL COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)cn1 ZINC000509389125 1003818510 /nfs/dbraw/zinc/81/85/10/1003818510.db2.gz CZELNALAHWYRAQ-UHFFFAOYSA-N -2 0 404.469 3.626 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)c(C)c1C(=O)[O-] ZINC000512728693 1004522462 /nfs/dbraw/zinc/52/24/62/1004522462.db2.gz HJFYOIBQDCIVES-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000512729835 1004523650 /nfs/dbraw/zinc/52/36/50/1004523650.db2.gz NEPHEAFBWVVLMY-UHFFFAOYSA-N -3 0 422.217 3.638 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)NC(C)C)c(C)c1C(=O)[O-] ZINC000512737584 1004528427 /nfs/dbraw/zinc/52/84/27/1004528427.db2.gz GVDXQFAZOVUAQB-UHFFFAOYSA-N -2 0 424.906 3.594 20 0 HHADRL Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000512756973 1004540186 /nfs/dbraw/zinc/54/01/86/1004540186.db2.gz BBTUOBUNJXVPHM-UHFFFAOYSA-N -2 0 405.389 3.506 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c1 ZINC000512775787 1004552882 /nfs/dbraw/zinc/55/28/82/1004552882.db2.gz CKFZGAZTXJGPDU-UHFFFAOYSA-N -2 0 422.459 3.669 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)cc1C(=O)[O-] ZINC000504279486 1005588545 /nfs/dbraw/zinc/58/85/45/1005588545.db2.gz LUYKQCHRMJDSSS-UHFFFAOYSA-N -2 0 408.423 3.503 20 0 HHADRL 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1008622373 /nfs/dbraw/zinc/62/23/73/1008622373.db2.gz SUFDTDOQJPBEKT-UHFFFAOYSA-N -2 0 424.544 3.818 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)sc1C(=O)[O-] ZINC000519320264 1008730031 /nfs/dbraw/zinc/73/00/31/1008730031.db2.gz NQIQUHHWBNSKIB-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c(Cl)c1 ZINC000543159663 1008731614 /nfs/dbraw/zinc/73/16/14/1008731614.db2.gz DCPZNDKPFHDSDI-LLVKDONJSA-N -2 0 411.863 3.506 20 0 HHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000543162382 1008736216 /nfs/dbraw/zinc/73/62/16/1008736216.db2.gz JTQFRCWGDOPGQR-UHFFFAOYSA-N -2 0 402.497 3.937 20 0 HHADRL COc1cc(C)c(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000545904242 1008988286 /nfs/dbraw/zinc/98/82/86/1008988286.db2.gz LTYJKFCRHFCYOS-UHFFFAOYSA-N -2 0 420.306 3.635 20 0 HHADRL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000545923536 1008999351 /nfs/dbraw/zinc/99/93/51/1008999351.db2.gz 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1010630963 /nfs/dbraw/zinc/63/09/63/1010630963.db2.gz CCSIFQOPPNIZAQ-UHFFFAOYSA-N -2 0 416.242 3.591 20 0 HHADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000548526658 1010656615 /nfs/dbraw/zinc/65/66/15/1010656615.db2.gz LQKKDIBVHBUMBT-WBMJQRKESA-N -2 0 417.405 3.865 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000548525972 1010656790 /nfs/dbraw/zinc/65/67/90/1010656790.db2.gz NNYQXXUFHNQELC-UHFFFAOYSA-N -3 0 424.645 3.844 20 0 HHADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000548611230 1010681689 /nfs/dbraw/zinc/68/16/89/1010681689.db2.gz JFJLPTGLKRAVKP-UHFFFAOYSA-N -2 0 400.456 3.829 20 0 HHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc(F)cc3Br)ccc21 ZINC000521961793 1010739503 /nfs/dbraw/zinc/73/95/03/1010739503.db2.gz ZQURBBHNCOQULH-UHFFFAOYSA-N -2 0 413.224 3.569 20 0 HHADRL Cc1cc(C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000614845025 1071763948 /nfs/dbraw/zinc/76/39/48/1071763948.db2.gz JMECXJQFKUESQI-UHFFFAOYSA-N -2 0 422.528 3.618 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)sc1C(=O)[O-] ZINC000614862925 1071799990 /nfs/dbraw/zinc/79/99/90/1071799990.db2.gz TXPGHQOCBAJWFO-UHFFFAOYSA-N -2 0 422.528 3.572 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)cc(C(=O)[O-])c1Cl ZINC000760267340 1071810586 /nfs/dbraw/zinc/81/05/86/1071810586.db2.gz FCZQTIPKCOJLDZ-UHFFFAOYSA-N -2 0 419.846 3.730 20 0 HHADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccnc3OCc3ccccc3)c1)CCC2 ZINC000591682616 1074486190 /nfs/dbraw/zinc/48/61/90/1074486190.db2.gz HFAAYKHUFYENCC-UHFFFAOYSA-N -2 0 424.478 3.648 20 0 HHADRL Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2[O-])c(SCCC(=O)[O-])c1 ZINC000436475604 452922123 /nfs/dbraw/zinc/92/21/23/452922123.db2.gz GYKPOIBEQNBSTL-UHFFFAOYSA-N -2 0 401.893 3.722 20 0 HHADRL O=C([O-])c1csc(Cc2ccc([N-]S(=O)(=O)c3cccc(F)c3F)cc2)n1 ZINC000542233344 1013188576 /nfs/dbraw/zinc/18/85/76/1013188576.db2.gz MNVSTYOCVYQWPA-UHFFFAOYSA-N -2 0 410.423 3.511 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000013265009 962382480 /nfs/dbraw/zinc/38/24/80/962382480.db2.gz XVEROGWHPCEAJE-UHFFFAOYSA-N -2 0 422.203 3.550 20 0 HHADRL COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)oc1ccccc12 ZINC000013345846 962387951 /nfs/dbraw/zinc/38/79/51/962387951.db2.gz CBCRJRGXWHWOTI-UHFFFAOYSA-N -2 0 413.407 3.799 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000055591912 965946806 /nfs/dbraw/zinc/94/68/06/965946806.db2.gz ROCOFUCEXVTLDD-UHFFFAOYSA-N -2 0 409.423 3.553 20 0 HHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c1 ZINC000032600039 966291532 /nfs/dbraw/zinc/29/15/32/966291532.db2.gz JRNJETAPDRPHGX-UHFFFAOYSA-N -2 0 409.769 3.780 20 0 HHADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877241 966984536 /nfs/dbraw/zinc/98/45/36/966984536.db2.gz QECHDRBMQYNFFP-UHFFFAOYSA-N -2 0 417.842 3.776 20 0 HHADRL CC(C)OCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877934 966985175 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0 HHADRL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)c1 ZINC000391405378 972839652 /nfs/dbraw/zinc/83/96/52/972839652.db2.gz JQXBJJOFMMYNPS-UHFFFAOYSA-N -2 0 416.318 3.978 20 0 HHADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000392154479 972848903 /nfs/dbraw/zinc/84/89/03/972848903.db2.gz FBBOKILKZMXFEH-UHFFFAOYSA-N -2 0 414.277 3.735 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC000393020961 972858948 /nfs/dbraw/zinc/85/89/48/972858948.db2.gz KNUMWBDFRAPLBJ-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)ccc1C(=O)[O-] ZINC000432781073 978972813 /nfs/dbraw/zinc/97/28/13/978972813.db2.gz MOLLTWKQFCOZDC-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1C(=O)[O-] ZINC000432782080 978973133 /nfs/dbraw/zinc/97/31/33/978973133.db2.gz RGURNZFBSGNJGQ-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)C ZINC000433613772 979426693 /nfs/dbraw/zinc/42/66/93/979426693.db2.gz YHJQRHFABBARCR-UHFFFAOYSA-N -2 0 422.478 3.585 20 0 HHADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1C ZINC000435731069 981006996 /nfs/dbraw/zinc/00/69/96/981006996.db2.gz JOBYCOHFEVWKLT-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1csc(Oc2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2F)n1 ZINC000436478829 981394777 /nfs/dbraw/zinc/39/47/77/981394777.db2.gz RRDLDYRFSQAQQU-UHFFFAOYSA-N -2 0 414.461 3.943 20 0 HHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC(F)(F)F)cc1 ZINC000448549708 981874184 /nfs/dbraw/zinc/87/41/84/981874184.db2.gz GMBVWFWMNDVUGT-UHFFFAOYSA-N -2 0 409.769 3.667 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])s1 ZINC000460827725 982578842 /nfs/dbraw/zinc/57/88/42/982578842.db2.gz MDLABFKHRBLVBB-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c(Cl)c1Cl ZINC000460830944 982581524 /nfs/dbraw/zinc/58/15/24/982581524.db2.gz MASUPYWIISWSLG-UHFFFAOYSA-N -2 0 412.197 3.779 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000460832038 982582321 /nfs/dbraw/zinc/58/23/21/982582321.db2.gz MVPYWUSOTONSIO-UHFFFAOYSA-N -2 0 423.462 3.584 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000438759537 983051528 /nfs/dbraw/zinc/05/15/28/983051528.db2.gz SCPZWAWBIVKGKP-UHFFFAOYSA-N -2 0 424.887 3.971 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1NC(=O)C(C)(C)C ZINC000438780353 983066826 /nfs/dbraw/zinc/06/68/26/983066826.db2.gz XHEZAIPESRKPTJ-UHFFFAOYSA-N -2 0 408.451 3.618 20 0 HHADRL CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC000438805016 983081728 /nfs/dbraw/zinc/08/17/28/983081728.db2.gz YZQVASRCKIOKEP-UHFFFAOYSA-N -2 0 420.878 3.748 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1sccc1Br ZINC000462104833 985075878 /nfs/dbraw/zinc/07/58/78/985075878.db2.gz UNDLWFFFCFJUKS-UHFFFAOYSA-N -2 0 424.269 3.547 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000443363397 985525250 /nfs/dbraw/zinc/52/52/50/985525250.db2.gz BUFIMEXLCIOPCV-UHFFFAOYSA-N -2 0 404.419 3.662 20 0 HHADRL CC(C)c1nc(/C=C/c2ccc(OCC(=O)[O-])c(Br)c2)ncc1C(=O)[O-] ZINC000463050512 986009095 /nfs/dbraw/zinc/00/90/95/986009095.db2.gz XIGXWAAINCTKMV-GQCTYLIASA-N -2 0 421.247 3.695 20 0 HHADRL COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000468339261 986034759 /nfs/dbraw/zinc/03/47/59/986034759.db2.gz BGYZZIGUIWZWQZ-JTQLQIEISA-N -2 0 419.908 3.623 20 0 HHADRL COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000468367878 986066621 /nfs/dbraw/zinc/06/66/21/986066621.db2.gz PNUOWLCQMJVDLK-GFCCVEGCSA-N -2 0 413.879 3.561 20 0 HHADRL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000468368680 986068576 /nfs/dbraw/zinc/06/85/76/986068576.db2.gz VVLQVYZMLMLBHV-LLVKDONJSA-N -2 0 413.879 3.561 20 0 HHADRL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000468383523 986083890 /nfs/dbraw/zinc/08/38/90/986083890.db2.gz JSGOKYBAACSYNA-LBPRGKRZSA-N -2 0 413.879 3.561 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])c(C)s1 ZINC000463379764 986347417 /nfs/dbraw/zinc/34/74/17/986347417.db2.gz USWJQHGMKNWNIF-UHFFFAOYSA-N -2 0 404.307 3.935 20 0 HHADRL COc1ccc(Cl)cc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n[nH]1 ZINC000444418070 986600196 /nfs/dbraw/zinc/60/01/96/986600196.db2.gz IOLPTIWMEULJOR-UHFFFAOYSA-N -2 0 421.862 3.546 20 0 HHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1)C(=O)[O-] ZINC000463781458 986771580 /nfs/dbraw/zinc/77/15/80/986771580.db2.gz IPYIFUPGDRLBKE-CYBMUJFWSA-N -2 0 412.305 3.903 20 0 HHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000469131545 986851626 /nfs/dbraw/zinc/85/16/26/986851626.db2.gz ZPZIJYDZIATIAJ-UHFFFAOYSA-N -2 0 420.270 3.656 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000469264104 986982978 /nfs/dbraw/zinc/98/29/78/986982978.db2.gz XVMPIRGOWWMGAJ-UHFFFAOYSA-N -2 0 402.255 3.842 20 0 HHADRL Cc1cc(C(=O)N(Cc2ccco2)c2cccc(Cl)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469310081 987022044 /nfs/dbraw/zinc/02/20/44/987022044.db2.gz ZRUKNEPNPCDUMC-UHFFFAOYSA-N -2 0 410.817 3.838 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(OCc3ccccc3F)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469316751 987028245 /nfs/dbraw/zinc/02/82/45/987028245.db2.gz PNOHHXPTZPULSK-UHFFFAOYSA-N -2 0 420.400 3.715 20 0 HHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000471566047 989766661 /nfs/dbraw/zinc/76/66/61/989766661.db2.gz HNDJVHBBRDZAFK-INIZCTEOSA-N -2 0 413.499 3.917 20 0 HHADRL Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471568275 989769036 /nfs/dbraw/zinc/76/90/36/989769036.db2.gz XLPDAZCPDWDDGX-MRXNPFEDSA-N -2 0 413.499 3.917 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn([C@H](C)c2ccccc2)cc1C ZINC000471569951 989771474 /nfs/dbraw/zinc/77/14/74/989771474.db2.gz KAGFGPZYGLVWFE-OAHLLOKOSA-N -2 0 413.499 3.862 20 0 HHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000471571823 989773167 /nfs/dbraw/zinc/77/31/67/989773167.db2.gz CHKODDBYZREHAR-AWEZNQCLSA-N -2 0 417.462 3.747 20 0 HHADRL CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466270659 991516160 /nfs/dbraw/zinc/51/61/60/991516160.db2.gz YOEIIMFOQHHWSE-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL CCc1cccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cn2)c1 ZINC000467755833 993000876 /nfs/dbraw/zinc/00/08/76/993000876.db2.gz SSUFBUYUQOZEJN-UHFFFAOYSA-N -2 0 402.428 3.837 20 0 HHADRL COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000481466047 994300799 /nfs/dbraw/zinc/30/07/99/994300799.db2.gz OOPLONWNTYNVOM-UHFFFAOYSA-N -2 0 419.480 3.556 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc(Cl)c1Cl ZINC000481605635 994457043 /nfs/dbraw/zinc/45/70/43/994457043.db2.gz OKJZXDOBLRFOOB-UHFFFAOYSA-N -2 0 415.176 3.906 20 0 HHADRL COc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000476420846 996885608 /nfs/dbraw/zinc/88/56/08/996885608.db2.gz AGWSFPQJHAIEAI-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc(C3CC3)no2)c1 ZINC000476425282 996892360 /nfs/dbraw/zinc/89/23/60/996892360.db2.gz IVHSBCMQOSGWQA-UHFFFAOYSA-N -2 0 419.846 3.766 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000484988245 997350321 /nfs/dbraw/zinc/35/03/21/997350321.db2.gz PKVPFMQZZHJESK-UHFFFAOYSA-N -2 0 404.271 3.820 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cc2c1OCCO2 ZINC000484992460 997353896 /nfs/dbraw/zinc/35/38/96/997353896.db2.gz DNJWLCQQQAQYDP-UHFFFAOYSA-N -2 0 419.842 3.763 20 0 HHADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485272562 997667742 /nfs/dbraw/zinc/66/77/42/997667742.db2.gz JDGWCMKOCNGVHB-UHFFFAOYSA-N -2 0 413.879 3.945 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cc1Cl ZINC000485297431 997701723 /nfs/dbraw/zinc/70/17/23/997701723.db2.gz YDJRMEDVECTMFP-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1cc(Br)c2ccccc2c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000477428269 998120030 /nfs/dbraw/zinc/12/00/30/998120030.db2.gz NKDVZCQNEYDSRR-UHFFFAOYSA-N -2 0 409.261 3.738 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cc1Cl ZINC000486519695 998804538 /nfs/dbraw/zinc/80/45/38/998804538.db2.gz PCGUQSPOMJQPFC-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL CSc1ccccc1S(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000479181597 999313544 /nfs/dbraw/zinc/31/35/44/999313544.db2.gz BQCYMBXABOCRFM-UHFFFAOYSA-N -2 0 402.291 3.670 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000479332608 999389641 /nfs/dbraw/zinc/38/96/41/999389641.db2.gz FBRKYVFFKDTDBV-UHFFFAOYSA-N -2 0 409.769 3.888 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(OC(F)(F)F)c1 ZINC000488285487 999423895 /nfs/dbraw/zinc/42/38/95/999423895.db2.gz XSYZSHRDGAFKGI-UHFFFAOYSA-N -2 0 415.267 3.502 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)cc(C(=O)[O-])c1C ZINC000479552999 999474031 /nfs/dbraw/zinc/47/40/31/999474031.db2.gz OHQCYEFSGBATLM-UHFFFAOYSA-N -2 0 422.409 3.952 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cnn1-c1cccc(C)c1 ZINC000480218511 999748252 /nfs/dbraw/zinc/74/82/52/999748252.db2.gz DASJVKYRLYFXKS-UHFFFAOYSA-N -2 0 417.462 3.690 20 0 HHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1C ZINC000480220429 999748646 /nfs/dbraw/zinc/74/86/46/999748646.db2.gz RBTAGTWPENFYRI-AWEZNQCLSA-N -2 0 409.508 3.515 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)c(Cl)c1 ZINC000489699460 999819955 /nfs/dbraw/zinc/81/99/55/999819955.db2.gz BEFTZOOTQZBFKH-UHFFFAOYSA-N -2 0 424.887 3.875 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnn1CCC(C)C ZINC000491571261 1000084493 /nfs/dbraw/zinc/08/44/93/1000084493.db2.gz BOWSRZGRMTWPOT-UHFFFAOYSA-N -2 0 413.927 3.952 20 0 HHADRL O=C([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2Br)c(F)c1 ZINC000491590591 1000086843 /nfs/dbraw/zinc/08/68/43/1000086843.db2.gz BKHWIVFSKCVRDB-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1ccccc1C ZINC000507909825 1002444350 /nfs/dbraw/zinc/44/43/50/1002444350.db2.gz SWAVNGYVWQLISD-UHFFFAOYSA-N -2 0 413.499 3.941 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1cccc(F)c1 ZINC000507920996 1002455288 /nfs/dbraw/zinc/45/52/88/1002455288.db2.gz WMTIPHWPIMURFL-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(OCC(=O)[O-])c2)C1 ZINC000499170411 1002556664 /nfs/dbraw/zinc/55/66/64/1002556664.db2.gz QIRXQHSIUHVGTE-MHWRWJLKSA-N -2 0 418.449 3.773 20 0 HHADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000499506565 1002896266 /nfs/dbraw/zinc/89/62/66/1002896266.db2.gz QLYBHIPAVYGLDG-UHFFFAOYSA-N -2 0 419.890 3.950 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500316430 1003619986 /nfs/dbraw/zinc/61/99/86/1003619986.db2.gz OCHKYBMPWHIRPC-UHFFFAOYSA-N -2 0 420.281 3.809 20 0 HHADRL CC(C)Oc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cc1Cl ZINC000509543864 1003935201 /nfs/dbraw/zinc/93/52/01/1003935201.db2.gz RHUBFFZKYSMJMS-UHFFFAOYSA-N -2 0 417.842 3.531 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000512730050 1004523573 /nfs/dbraw/zinc/52/35/73/1004523573.db2.gz OBXOOZUILBFHTP-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000512776144 1004552937 /nfs/dbraw/zinc/55/29/37/1004552937.db2.gz JDRVAOLZWYGBTI-UHFFFAOYSA-N -2 0 422.203 3.550 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])c1 ZINC000511096787 1005017327 /nfs/dbraw/zinc/01/73/27/1005017327.db2.gz QWCWLAHECHWXEP-UHFFFAOYSA-N -3 0 409.466 3.674 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)s1 ZINC000511131545 1005036110 /nfs/dbraw/zinc/03/61/10/1005036110.db2.gz OSOXFKFVLQVHGC-UHFFFAOYSA-N -2 0 422.553 3.912 20 0 HHADRL CCCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1O ZINC000503532454 1005445495 /nfs/dbraw/zinc/44/54/95/1005445495.db2.gz AMBMSLCBVQDDHM-CQSZACIVSA-N -2 0 406.504 3.966 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2-c2nncn2C(C)C)c1C ZINC000531239552 1006064111 /nfs/dbraw/zinc/06/41/11/1006064111.db2.gz IIIRUGZENKDOFX-UHFFFAOYSA-N -2 0 414.487 3.642 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cs1 ZINC000515690940 1006592131 /nfs/dbraw/zinc/59/21/31/1006592131.db2.gz SHEJOUHVSYSLJH-UHFFFAOYSA-N -2 0 407.444 3.965 20 0 HHADRL Cc1cc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000532420782 1006865319 /nfs/dbraw/zinc/86/53/19/1006865319.db2.gz SVOAIJRYVOWZMK-UHFFFAOYSA-N -2 0 413.846 3.774 20 0 HHADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1Cl ZINC000532846885 1007233293 /nfs/dbraw/zinc/23/32/93/1007233293.db2.gz YMIUXWYCHCAJCM-UHFFFAOYSA-N -2 0 418.858 3.666 20 0 HHADRL Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(CC(=O)[O-])c3)c2)c1 ZINC000533195320 1007529760 /nfs/dbraw/zinc/52/97/60/1007529760.db2.gz NRJFOTWKUQDQSX-UHFFFAOYSA-N -2 0 424.478 3.675 20 0 HHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000533954030 1008230499 /nfs/dbraw/zinc/23/04/99/1008230499.db2.gz XNRAIGGKEWBAKA-UHFFFAOYSA-N -2 0 404.307 3.719 20 0 HHADRL COc1ccc(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1CC(=O)[O-] ZINC000540293656 1008370404 /nfs/dbraw/zinc/37/04/04/1008370404.db2.gz URPBXFHYTAOITM-UHFFFAOYSA-N -2 0 417.405 3.618 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c(C)c1OCC(=O)[O-] ZINC000549929665 1009543400 /nfs/dbraw/zinc/54/34/00/1009543400.db2.gz KTWBEEPPTKFTJE-UHFFFAOYSA-N -2 0 412.467 3.630 20 0 HHADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546629929 1009639635 /nfs/dbraw/zinc/63/96/35/1009639635.db2.gz WTZZVWHCECLOCJ-UHFFFAOYSA-N -2 0 416.524 3.905 20 0 HHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000544646653 1010271614 /nfs/dbraw/zinc/27/16/14/1010271614.db2.gz NUPDKRFVXZQJKA-ZDUSSCGKSA-N -2 0 405.472 3.572 20 0 HHADRL CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000551106583 1010371517 /nfs/dbraw/zinc/37/15/17/1010371517.db2.gz QFKMWFLJSYSPKL-UHFFFAOYSA-N -2 0 420.915 3.604 20 0 HHADRL CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)c1 ZINC000551107437 1010372818 /nfs/dbraw/zinc/37/28/18/1010372818.db2.gz RCNZFDZMQBLNEP-UHFFFAOYSA-N -2 0 401.843 3.939 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000548198962 1010559294 /nfs/dbraw/zinc/55/92/94/1010559294.db2.gz GSXWIZGTJZMYNL-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c(C)o1 ZINC000540648195 1011299071 /nfs/dbraw/zinc/29/90/71/1011299071.db2.gz OFWCMQQWWNBNCS-UHFFFAOYSA-N -2 0 424.475 3.637 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2nn(C3CCCCC3)cc2C)cc1C(=O)[O-] ZINC000541307080 1012013297 /nfs/dbraw/zinc/01/32/97/1012013297.db2.gz QRPIBOHBXQQHMB-UHFFFAOYSA-N -2 0 407.492 3.594 20 0 HHADRL O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000541801974 1012680692 /nfs/dbraw/zinc/68/06/92/1012680692.db2.gz QZGDXMDOJPZKHU-UHFFFAOYSA-N -2 0 423.752 3.556 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)c1C ZINC000524181573 1012981300 /nfs/dbraw/zinc/98/13/00/1012981300.db2.gz ZMPOCRKXOYQXHV-UHFFFAOYSA-N -2 0 421.368 3.883 20 0 HHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)c1 ZINC000488237414 1072152478 /nfs/dbraw/zinc/15/24/78/1072152478.db2.gz UYNXDUBDQLTVAQ-UHFFFAOYSA-N -2 0 409.891 3.947 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2SCc2ccccc2)cc1C(=O)[O-] ZINC000912980554 1072311306 /nfs/dbraw/zinc/31/13/06/1072311306.db2.gz OYZZYYRUOWBECI-UHFFFAOYSA-N -2 0 402.497 3.816 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000592986658 1075154430 /nfs/dbraw/zinc/15/44/30/1075154430.db2.gz OEKTUUKITKMFFF-OAHLLOKOSA-N -2 0 414.483 3.789 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c(C)c1CC(=O)[O-] ZINC000542236853 1013195138 /nfs/dbraw/zinc/19/51/38/1013195138.db2.gz GFSDGTLWAIZYOE-GFCCVEGCSA-N -2 0 419.499 3.618 20 0 HHADRL CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000007505338 961219954 /nfs/dbraw/zinc/21/99/54/961219954.db2.gz ZPXOYIJNPSXNLY-UHFFFAOYSA-N -2 0 403.378 3.993 20 0 HHADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000013059455 962361768 /nfs/dbraw/zinc/36/17/68/962361768.db2.gz IGOWNOVMVPOOAJ-UHFFFAOYSA-N -2 0 414.277 3.737 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1Cl ZINC000013264838 962380810 /nfs/dbraw/zinc/38/08/10/962380810.db2.gz OTCYTISQSCNOTI-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000057115674 965287171 /nfs/dbraw/zinc/28/71/71/965287171.db2.gz FDZYWHWIYITVTE-UHFFFAOYSA-N -2 0 413.451 3.915 20 0 HHADRL C[C@@](CC(=O)N[N-]C(=O)c1sc2ccccc2c1Cl)(C(=O)[O-])c1ccccc1 ZINC000054500458 965544132 /nfs/dbraw/zinc/54/41/32/965544132.db2.gz GLKVHFMLKJILCO-FQEVSTJZSA-N -2 0 416.886 3.748 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)sc1C(=O)[O-] ZINC000055619770 965967026 /nfs/dbraw/zinc/96/70/26/965967026.db2.gz BHMDMFRAZSJGRP-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(Br)s1 ZINC000032586294 966287056 /nfs/dbraw/zinc/28/70/56/966287056.db2.gz QSODOTMRDRCLPV-UHFFFAOYSA-N -2 0 416.318 3.888 20 0 HHADRL CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032595503 966290748 /nfs/dbraw/zinc/29/07/48/966290748.db2.gz YUDSCJOWGXGNFO-UHFFFAOYSA-N -2 0 404.307 3.962 20 0 HHADRL CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000062930455 966743956 /nfs/dbraw/zinc/74/39/56/966743956.db2.gz FIWUWUCKUUHIAS-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL O=C([O-])c1ccc(/C=C2\CN(CC3CC3)C/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000064308010 967133192 /nfs/dbraw/zinc/13/31/92/967133192.db2.gz IAZWMMGDNNKRTA-ZCJKAFFOSA-N -2 0 417.461 3.845 20 0 HHADRL O=C([O-])[C@H](CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000064611620 967249812 /nfs/dbraw/zinc/24/98/12/967249812.db2.gz LWBGRTAELFZOAF-GOSISDBHSA-N -2 0 424.478 3.684 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cccn1 ZINC000071946529 968902895 /nfs/dbraw/zinc/90/28/95/968902895.db2.gz RINKCTDPVRXLJS-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCCC2)c[nH]1 ZINC000072066830 968968666 /nfs/dbraw/zinc/96/86/66/968968666.db2.gz LLJYEXMGRHIWLB-UHFFFAOYSA-N -2 0 417.409 3.523 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c[nH]1 ZINC000072071269 968972142 /nfs/dbraw/zinc/97/21/42/968972142.db2.gz UOEWWYXEZFXMBM-UHFFFAOYSA-N -2 0 402.272 3.551 20 0 HHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000318680876 972665029 /nfs/dbraw/zinc/66/50/29/972665029.db2.gz ASMWRFGQZVYZRC-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL CSc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000320069539 972676508 /nfs/dbraw/zinc/67/65/08/972676508.db2.gz UKOUVRQNKUVOSI-UHFFFAOYSA-N -2 0 420.281 3.809 20 0 HHADRL Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000320425656 972682675 /nfs/dbraw/zinc/68/26/75/972682675.db2.gz UDLVFZNXPNDNSA-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)ccc1F ZINC000320431631 972682902 /nfs/dbraw/zinc/68/29/02/972682902.db2.gz HFIIRSBTAWXWTH-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000322942891 972706098 /nfs/dbraw/zinc/70/60/98/972706098.db2.gz IGSNEBUGCCCNRO-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnc1Br ZINC000322994692 972706176 /nfs/dbraw/zinc/70/61/76/972706176.db2.gz IWWGOTIJKLOFIY-UHFFFAOYSA-N -2 0 419.684 3.613 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000323901043 972716914 /nfs/dbraw/zinc/71/69/14/972716914.db2.gz POMNQEKWGUBDPU-UHFFFAOYSA-N -2 0 424.194 3.967 20 0 HHADRL CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000324649916 972724781 /nfs/dbraw/zinc/72/47/81/972724781.db2.gz FSBWLANWYSZDHW-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2OC)cc1C(=O)[O-] ZINC000325769674 972735380 /nfs/dbraw/zinc/73/53/80/972735380.db2.gz KMZYUCDBGIQCFZ-UHFFFAOYSA-N -2 0 414.277 3.519 20 0 HHADRL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000390344068 972821576 /nfs/dbraw/zinc/82/15/76/972821576.db2.gz WFFLFYAETJMRBT-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000391267366 972838424 /nfs/dbraw/zinc/83/84/24/972838424.db2.gz HMZPCYSLDVJAPX-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(Br)c1 ZINC000391423648 972839565 /nfs/dbraw/zinc/83/95/65/972839565.db2.gz YPLIGHHJQCDYSB-UHFFFAOYSA-N -2 0 402.241 3.650 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)ccc1C(=O)[O-] ZINC000410398064 973997382 /nfs/dbraw/zinc/99/73/82/973997382.db2.gz KWULLNZCMVGBLX-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC000410401594 974001262 /nfs/dbraw/zinc/00/12/62/974001262.db2.gz NBPWWHPPWJUHLS-UHFFFAOYSA-N -2 0 403.378 3.992 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1Cl ZINC000427138422 974934021 /nfs/dbraw/zinc/93/40/21/974934021.db2.gz XAEMFKTWMXAOPB-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL O=C(Nc1cccc(Cl)c1[O-])[C@H]1CC[C@H](C(=O)Nc2cccc(Cl)c2[O-])O1 ZINC000427633446 975217665 /nfs/dbraw/zinc/21/76/65/975217665.db2.gz JHFAXDNNOIEFJI-ZIAGYGMSSA-N -2 0 411.241 3.529 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000431924240 978604369 /nfs/dbraw/zinc/60/43/69/978604369.db2.gz GPUNFPVFRQPSHQ-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000432689443 978937301 /nfs/dbraw/zinc/93/73/01/978937301.db2.gz ILSINIUDUSFIIX-UHFFFAOYSA-N -2 0 421.515 3.954 20 0 HHADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000434632211 980308991 /nfs/dbraw/zinc/30/89/91/980308991.db2.gz VJTQZDYBVKGTPO-UHFFFAOYSA-N -2 0 419.377 3.710 20 0 HHADRL Cc1nc(=NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])s[n-]1 ZINC000436579286 981457369 /nfs/dbraw/zinc/45/73/69/981457369.db2.gz YYNUUFWSCLBTBB-UHFFFAOYSA-N -2 0 423.281 3.785 20 0 HHADRL CO[C@](C)(c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1)C1CC1 ZINC000436955218 981644412 /nfs/dbraw/zinc/64/44/12/981644412.db2.gz JNNDAZSUINZWFH-SFHVURJKSA-N -2 0 421.500 3.576 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cnn1-c1ccc(Cl)cc1 ZINC000460452673 982246705 /nfs/dbraw/zinc/24/67/05/982246705.db2.gz RRPVRLBEVITJOM-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])s1 ZINC000460834263 982584142 /nfs/dbraw/zinc/58/41/42/982584142.db2.gz XNMKMRUTPGANDO-UHFFFAOYSA-N -2 0 412.233 3.596 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461332310 983022739 /nfs/dbraw/zinc/02/27/39/983022739.db2.gz MTGJTVVXJGCMHY-UHFFFAOYSA-N -2 0 415.798 3.928 20 0 HHADRL Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1Br ZINC000438758724 983050779 /nfs/dbraw/zinc/05/07/79/983050779.db2.gz VXLQEWWPFFVKEI-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cn2)cc1 ZINC000438772364 983061206 /nfs/dbraw/zinc/06/12/06/983061206.db2.gz JPNDGHYWTRSXAS-UHFFFAOYSA-N -2 0 418.402 3.521 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c(F)c1 ZINC000438776093 983064303 /nfs/dbraw/zinc/06/43/03/983064303.db2.gz YRPFMIYFBYULGI-UHFFFAOYSA-N -2 0 420.443 3.639 20 0 HHADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cn2)cc1 ZINC000438785980 983069668 /nfs/dbraw/zinc/06/96/68/983069668.db2.gz NNDVKSLXBXPMBD-UHFFFAOYSA-N -2 0 402.403 3.820 20 0 HHADRL Cc1csc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2F)n1 ZINC000439256222 983334640 /nfs/dbraw/zinc/33/46/40/983334640.db2.gz YBYVPKBSDMVBSD-UHFFFAOYSA-N -2 0 424.431 3.588 20 0 HHADRL CS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440307312 983713677 /nfs/dbraw/zinc/71/36/77/983713677.db2.gz XPOVLCUMLHJJIW-UHFFFAOYSA-N -2 0 410.904 3.666 20 0 HHADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000441328823 984187892 /nfs/dbraw/zinc/18/78/92/984187892.db2.gz IWSODMWOWZXIHI-UHFFFAOYSA-N -2 0 407.488 3.936 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000462066863 985039128 /nfs/dbraw/zinc/03/91/28/985039128.db2.gz VJDCGTJXZSIXNN-UHFFFAOYSA-N -2 0 415.427 3.731 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)cc1C(=O)[O-] ZINC000443534669 985705667 /nfs/dbraw/zinc/70/56/67/985705667.db2.gz YEZONYIDWFTOMA-UHFFFAOYSA-N -2 0 421.368 3.964 20 0 HHADRL COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000468367879 986067773 /nfs/dbraw/zinc/06/77/73/986067773.db2.gz PNUOWLCQMJVDLK-LBPRGKRZSA-N -2 0 413.879 3.561 20 0 HHADRL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000468515025 986217475 /nfs/dbraw/zinc/21/74/75/986217475.db2.gz ISGYYGRNKPVUCD-GFCCVEGCSA-N -2 0 413.879 3.561 20 0 HHADRL CCOc1ccc(-c2csc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)n2)cc1 ZINC000468771536 986484182 /nfs/dbraw/zinc/48/41/82/986484182.db2.gz ATMPABYDZXOGOC-UHFFFAOYSA-N -2 0 423.454 3.519 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000468925929 986632662 /nfs/dbraw/zinc/63/26/62/986632662.db2.gz JJTVRFJAEQLLOQ-UHFFFAOYSA-N -2 0 419.352 3.693 20 0 HHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc1)C(=O)[O-] ZINC000463780280 986771012 /nfs/dbraw/zinc/77/10/12/986771012.db2.gz XHQKTJONRNSWPD-QGZVFWFLSA-N -2 0 407.536 3.610 20 0 HHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000463803364 986794821 /nfs/dbraw/zinc/79/48/21/986794821.db2.gz WQZACVMVJSZLFK-UHFFFAOYSA-N -2 0 422.846 3.568 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469160622 986885820 /nfs/dbraw/zinc/88/58/20/986885820.db2.gz WFVKOMIQKSFWNT-UHFFFAOYSA-N -2 0 423.816 3.837 20 0 HHADRL Cc1ccccc1CS(=O)(=O)[N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000464426211 988598142 /nfs/dbraw/zinc/59/81/42/988598142.db2.gz MPCMANAIZUGUCZ-UHFFFAOYSA-N -2 0 416.524 3.738 20 0 HHADRL Cc1cc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000464708114 988920516 /nfs/dbraw/zinc/92/05/16/988920516.db2.gz IOGLFXKTIYPIRZ-UHFFFAOYSA-N -2 0 418.375 3.820 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OC[C@H]2CCCCO2)cc(C(=O)[O-])c1C ZINC000471120688 989225616 /nfs/dbraw/zinc/22/56/16/989225616.db2.gz BUNIDADSCOJPCB-MRXNPFEDSA-N -2 0 419.499 3.750 20 0 HHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000471574189 989775714 /nfs/dbraw/zinc/77/57/14/989775714.db2.gz MRXNPVSHEVUMKK-INIZCTEOSA-N -2 0 413.499 3.917 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1Br ZINC000471961580 990127435 /nfs/dbraw/zinc/12/74/35/990127435.db2.gz UIAIYUNUJNNCQC-UHFFFAOYSA-N -2 0 413.224 3.569 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000471986514 990153429 /nfs/dbraw/zinc/15/34/29/990153429.db2.gz RJKLUWIGFDHRRH-UHFFFAOYSA-N -2 0 418.324 3.705 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)ccc1OCCCC(=O)[O-] ZINC000471990032 990156018 /nfs/dbraw/zinc/15/60/18/990156018.db2.gz CQPXAAUOILWWSB-UHFFFAOYSA-N -2 0 417.842 3.538 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1-c1ccccc1 ZINC000466473863 991764835 /nfs/dbraw/zinc/76/48/35/991764835.db2.gz LXOAXFONPZQBBO-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3cccc(F)c3)nc2c1 ZINC000467745948 992993851 /nfs/dbraw/zinc/99/38/51/992993851.db2.gz LZRLDCSVKKITSP-UHFFFAOYSA-N -2 0 415.402 3.769 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2F)cc1 ZINC000467757713 993002388 /nfs/dbraw/zinc/00/23/88/993002388.db2.gz LGZWKJRPJKPQEY-UHFFFAOYSA-N -2 0 405.403 3.805 20 0 HHADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000481461784 994296875 /nfs/dbraw/zinc/29/68/75/994296875.db2.gz BIIDVNYANZJSCA-UHFFFAOYSA-N -2 0 411.863 3.505 20 0 HHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)cc1 ZINC000481962971 994850267 /nfs/dbraw/zinc/85/02/67/994850267.db2.gz YGGHUCIJCDGEID-UHFFFAOYSA-N -2 0 405.419 3.611 20 0 HHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1sccc1Br ZINC000475737627 996336645 /nfs/dbraw/zinc/33/66/45/996336645.db2.gz LZIDZFSWVNCLJH-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cs1 ZINC000475840998 996408995 /nfs/dbraw/zinc/40/89/95/996408995.db2.gz ZGPOSCXEMVPSHD-UHFFFAOYSA-N -2 0 422.459 3.522 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc(OC)c1C(C)C ZINC000484165470 996611048 /nfs/dbraw/zinc/61/10/48/996611048.db2.gz SZCQFEOUASMQQG-UHFFFAOYSA-N -2 0 411.451 3.774 20 0 HHADRL COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000476416659 996879847 /nfs/dbraw/zinc/87/98/47/996879847.db2.gz HFXBHEORTQXMCI-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000484581941 996914770 /nfs/dbraw/zinc/91/47/70/996914770.db2.gz GGHKASQFUNGMIL-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cc(F)ccc3Br)ccc21 ZINC000484792635 997142911 /nfs/dbraw/zinc/14/29/11/997142911.db2.gz FDVNQRMTTJDRMG-UHFFFAOYSA-N -2 0 413.224 3.569 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000484980128 997344678 /nfs/dbraw/zinc/34/46/78/997344678.db2.gz LVGVZVQVXYIZOI-UHFFFAOYSA-N -2 0 407.488 3.609 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000484987759 997349539 /nfs/dbraw/zinc/34/95/39/997349539.db2.gz ORWQCUMMGQUSDI-UHFFFAOYSA-N -2 0 403.378 3.992 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)c(Cl)cc1C(=O)[O-] ZINC000485287833 997686910 /nfs/dbraw/zinc/68/69/10/997686910.db2.gz IKEMHIJXHDZIPS-UHFFFAOYSA-N -2 0 422.846 3.811 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1OC ZINC000485394924 997822357 /nfs/dbraw/zinc/82/23/57/997822357.db2.gz KTEVQLVKAPDOFR-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485398005 997827932 /nfs/dbraw/zinc/82/79/32/997827932.db2.gz DZSXXWSPNIXWBC-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000477252643 997927930 /nfs/dbraw/zinc/92/79/30/997927930.db2.gz RFOWIDMHSMCZAX-UHFFFAOYSA-N -2 0 400.456 3.829 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000477430364 998123920 /nfs/dbraw/zinc/12/39/20/998123920.db2.gz YZBMBEGPRNWRQU-UHFFFAOYSA-N -2 0 405.419 3.990 20 0 HHADRL CSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1 ZINC000486096140 998543692 /nfs/dbraw/zinc/54/36/92/998543692.db2.gz CJIFNWKVGYOZBN-UHFFFAOYSA-N -2 0 407.391 3.806 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)cc1C(=O)[O-] ZINC000479256804 999350497 /nfs/dbraw/zinc/35/04/97/999350497.db2.gz VKURGZOLFIMCRG-UHFFFAOYSA-N -2 0 409.876 3.666 20 0 HHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc(Br)cc3F)ccc21 ZINC000479489540 999440901 /nfs/dbraw/zinc/44/09/01/999440901.db2.gz POOVIQPRNCNVRP-UHFFFAOYSA-N -2 0 413.224 3.569 20 0 HHADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000479493754 999443541 /nfs/dbraw/zinc/44/35/41/999443541.db2.gz AXPPVPHNEVKDEF-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Br)c2C)s1 ZINC000489039405 999679580 /nfs/dbraw/zinc/67/95/80/999679580.db2.gz LRHCQKHFBPQJCU-UHFFFAOYSA-N -2 0 419.322 3.584 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000480246531 999755415 /nfs/dbraw/zinc/75/54/15/999755415.db2.gz KZZUNQVVBVHXEJ-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000489723234 999824713 /nfs/dbraw/zinc/82/47/13/999824713.db2.gz STCBLBRZJJGMFQ-UHFFFAOYSA-N -2 0 423.903 3.724 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000491595790 1000087576 /nfs/dbraw/zinc/08/75/76/1000087576.db2.gz DNNNCVYMMJWIHR-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000504665882 1000316556 /nfs/dbraw/zinc/31/65/56/1000316556.db2.gz NBXQTABBQJTDBG-CYBMUJFWSA-N -2 0 402.497 3.909 20 0 HHADRL COc1cc(C)c(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507922179 1002456569 /nfs/dbraw/zinc/45/65/69/1002456569.db2.gz ZFLUMXWWSPNHBE-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)ccc1C(=O)[O-] ZINC000507962091 1002493410 /nfs/dbraw/zinc/49/34/10/1002493410.db2.gz AXWITUIGDFDYTG-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000509387029 1003816142 /nfs/dbraw/zinc/81/61/42/1003816142.db2.gz TUBXSOJILFNVAG-UHFFFAOYSA-N -2 0 409.529 3.988 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc(C(F)(F)F)c1 ZINC000509558170 1003944855 /nfs/dbraw/zinc/94/48/55/1003944855.db2.gz MRJWTUQTGQXAKA-UHFFFAOYSA-N -2 0 411.304 3.806 20 0 HHADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000509613125 1003980953 /nfs/dbraw/zinc/98/09/53/1003980953.db2.gz IOMLMHJUVOTXFB-UHFFFAOYSA-N -2 0 417.842 3.532 20 0 HHADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000509627659 1003990091 /nfs/dbraw/zinc/99/00/91/1003990091.db2.gz ALWFOQZFWQEXGJ-UHFFFAOYSA-N -2 0 413.879 3.701 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000512726275 1004521127 /nfs/dbraw/zinc/52/11/27/1004521127.db2.gz VQDPLMRICOZDBG-UHFFFAOYSA-N -2 0 407.419 3.675 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cnn1-c1cc(C)ccc1C ZINC000512746646 1004533884 /nfs/dbraw/zinc/53/38/84/1004533884.db2.gz LRVXNZGLTYSPBM-UHFFFAOYSA-N -2 0 417.462 3.744 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)c1 ZINC000512757581 1004540684 /nfs/dbraw/zinc/54/06/84/1004540684.db2.gz MWYKHIKQBDRKGB-UHFFFAOYSA-N -2 0 415.402 3.769 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000512776607 1004552869 /nfs/dbraw/zinc/55/28/69/1004552869.db2.gz QNQFPOBFUGGSFR-UHFFFAOYSA-N -2 0 420.393 3.960 20 0 HHADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C)O[C@@H](C)C2 ZINC000512781852 1004556858 /nfs/dbraw/zinc/55/68/58/1004556858.db2.gz YWMMGGSUMIIOSH-LBPRGKRZSA-N -2 0 405.472 3.525 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)c1 ZINC000512794641 1004562364 /nfs/dbraw/zinc/56/23/64/1004562364.db2.gz GIEMZGFNABUZOZ-UHFFFAOYSA-N -2 0 419.434 3.807 20 0 HHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)(C)C ZINC000511247092 1005089935 /nfs/dbraw/zinc/08/99/35/1005089935.db2.gz APLGLYADTLCSSC-UHFFFAOYSA-N -2 0 418.515 3.837 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1C(=O)[O-] ZINC000504260023 1005584312 /nfs/dbraw/zinc/58/43/12/1005584312.db2.gz 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Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000410366335 973960514 /nfs/dbraw/zinc/96/05/14/973960514.db2.gz PWPJFTMBPUTITN-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cccc(Br)c3F)ccc21 ZINC000410368427 973963811 /nfs/dbraw/zinc/96/38/11/973963811.db2.gz BBSKAILLBDFLSK-UHFFFAOYSA-N -2 0 413.224 3.569 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccccc2Br)cccc1C(=O)[O-] ZINC000410403127 974003154 /nfs/dbraw/zinc/00/31/54/974003154.db2.gz RLJKNYIBWQCMES-UHFFFAOYSA-N -2 0 414.277 3.735 20 0 HHADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000430975707 977922508 /nfs/dbraw/zinc/92/25/08/977922508.db2.gz BNIZXYRTKUCISE-UHFFFAOYSA-N -2 0 411.863 3.732 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)s1 ZINC000431150138 978051877 /nfs/dbraw/zinc/05/18/77/978051877.db2.gz NDYUOPXYJMSIGU-UHFFFAOYSA-N -2 0 422.553 3.967 20 0 HHADRL COc1ccccc1CSc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000431178091 978077643 /nfs/dbraw/zinc/07/76/43/978077643.db2.gz JDEJRRZDZXWYFP-UHFFFAOYSA-N -2 0 418.496 3.815 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccc(C)cc1 ZINC000431889163 978579714 /nfs/dbraw/zinc/57/97/14/978579714.db2.gz GWFCWNDPDPDTRM-UHFFFAOYSA-N -2 0 405.501 3.694 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cc3ccccc3s2)[nH]n1 ZINC000432487476 978843122 /nfs/dbraw/zinc/84/31/22/978843122.db2.gz FWNPWBUGJVGFSI-UHFFFAOYSA-N -2 0 403.441 3.692 20 0 HHADRL O=C(N=c1nc(-c2ccsc2)[n-]s1)c1cc(F)cc(Br)c1[O-] ZINC000436864023 981596406 /nfs/dbraw/zinc/59/64/06/981596406.db2.gz MOIHXAFWOFATNJ-UHFFFAOYSA-N -2 0 400.254 3.548 20 0 HHADRL C[C@@H]1C[C@@H](c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3[O-])n2)CCO1 ZINC000436944685 981637677 /nfs/dbraw/zinc/63/76/77/981637677.db2.gz CBMAPGIPWWDFFZ-NEPJUHHUSA-N -2 0 421.500 3.587 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cccnc2-c2csc(C)c2)cc1CC(=O)[O-] ZINC000437667780 982283128 /nfs/dbraw/zinc/28/31/28/982283128.db2.gz QNPLDXKOHSLRNL-UHFFFAOYSA-N -2 0 418.496 3.555 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000460829559 982579858 /nfs/dbraw/zinc/57/98/58/982579858.db2.gz QNADHELDWSPGEK-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccs2)c(F)c1 ZINC000438757231 983049654 /nfs/dbraw/zinc/04/96/54/983049654.db2.gz ROAZQCCIUBOINH-UHFFFAOYSA-N -2 0 420.443 3.639 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(C(F)(F)F)c1 ZINC000438786895 983070454 /nfs/dbraw/zinc/07/04/54/983070454.db2.gz QZMYAQVCROYJRW-UHFFFAOYSA-N -2 0 407.341 3.742 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)cc1Cl ZINC000438792931 983074321 /nfs/dbraw/zinc/07/43/21/983074321.db2.gz OJXGKNRDVLHFFK-UHFFFAOYSA-N -2 0 418.862 3.502 20 0 HHADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cn1 ZINC000438804206 983081296 /nfs/dbraw/zinc/08/12/96/983081296.db2.gz WCQWPMFBSLBUFM-UHFFFAOYSA-N -2 0 415.471 3.503 20 0 HHADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000462098628 985069061 /nfs/dbraw/zinc/06/90/61/985069061.db2.gz DIJPDHSSAIKLRU-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)c(Cl)cc1C(=O)[O-] ZINC000444421730 986604233 /nfs/dbraw/zinc/60/42/33/986604233.db2.gz IAOWHYJXFDEVIP-UHFFFAOYSA-N -2 0 421.862 3.546 20 0 HHADRL Cc1cc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468995851 986701194 /nfs/dbraw/zinc/70/11/94/986701194.db2.gz LKOCZXDSAJORIU-UHFFFAOYSA-N -2 0 410.817 3.838 20 0 HHADRL CCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1Cl ZINC000464545145 988722309 /nfs/dbraw/zinc/72/23/09/988722309.db2.gz OWEQYDKIEJPRFN-UHFFFAOYSA-N -2 0 420.270 3.900 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000464836482 989079539 /nfs/dbraw/zinc/07/95/39/989079539.db2.gz SAQLPOVIMCUOOK-UHFFFAOYSA-N -2 0 403.378 3.689 20 0 HHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000471583014 989786354 /nfs/dbraw/zinc/78/63/54/989786354.db2.gz SRISFDAJSZTMOU-AWEZNQCLSA-N -2 0 417.462 3.747 20 0 HHADRL CCOc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(C(=O)[O-])cc1OCC ZINC000471922720 990088984 /nfs/dbraw/zinc/08/89/84/990088984.db2.gz MZQSRRXIDGFHGF-UHFFFAOYSA-N -2 0 422.434 3.603 20 0 HHADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)c1 ZINC000471958978 990123966 /nfs/dbraw/zinc/12/39/66/990123966.db2.gz QCEVIGOJMLUYPM-UHFFFAOYSA-N -2 0 417.361 3.677 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000471965997 990131285 /nfs/dbraw/zinc/13/12/85/990131285.db2.gz UTXZDEQEQFQIKM-UHFFFAOYSA-N -2 0 418.374 3.694 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnn1-c1ccccc1 ZINC000466481474 991773040 /nfs/dbraw/zinc/77/30/40/991773040.db2.gz KKZMNMQJUSDYNP-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCc2cccc(C)c2)c1 ZINC000467752369 992998302 /nfs/dbraw/zinc/99/83/02/992998302.db2.gz FXUFXQYTEBRGRI-UHFFFAOYSA-N -2 0 401.440 3.974 20 0 HHADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c(Cl)c1 ZINC000475738435 996337597 /nfs/dbraw/zinc/33/75/97/996337597.db2.gz IFJBKJJKYKZYSW-UHFFFAOYSA-N -2 0 418.254 3.587 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(Br)c1 ZINC000475803128 996381122 /nfs/dbraw/zinc/38/11/22/996381122.db2.gz IAKYDYRORPZNGY-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000476409612 996869826 /nfs/dbraw/zinc/86/98/26/996869826.db2.gz BWKDQFFIFMRYKK-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc(C3CC3)no2)cc1 ZINC000476424816 996892563 /nfs/dbraw/zinc/89/25/63/996892563.db2.gz HYBZQLGQFURUAY-UHFFFAOYSA-N -2 0 419.846 3.766 20 0 HHADRL COc1cc(Br)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1Cl ZINC000484590574 996923246 /nfs/dbraw/zinc/92/32/46/996923246.db2.gz BNBAHTSQFVAVLY-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c(Br)c1 ZINC000484687008 997025323 /nfs/dbraw/zinc/02/53/23/997025323.db2.gz CXNVCAKVDXYHPL-UHFFFAOYSA-N -2 0 422.256 3.807 20 0 HHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000484944623 997322539 /nfs/dbraw/zinc/32/25/39/997322539.db2.gz YURQZUXEFPTMKC-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1sccc1Br ZINC000484990023 997351951 /nfs/dbraw/zinc/35/19/51/997351951.db2.gz VLOPZVQUYIOSNS-UHFFFAOYSA-N -2 0 420.306 3.797 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)ccc1C(=O)[O-] ZINC000485396322 997825402 /nfs/dbraw/zinc/82/54/02/997825402.db2.gz UYXQPEGCTWPVIP-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477414105 998099435 /nfs/dbraw/zinc/09/94/35/998099435.db2.gz FDJZZVQCFBPJQQ-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1C ZINC000486103082 998550254 /nfs/dbraw/zinc/55/02/54/998550254.db2.gz UDVBXBDSQXWAMD-VIFPVBQESA-N -2 0 421.397 3.560 20 0 HHADRL Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1C(=O)[O-] ZINC000486301273 998702498 /nfs/dbraw/zinc/70/24/98/998702498.db2.gz UCXIQPDAVDDSNJ-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479262849 999353047 /nfs/dbraw/zinc/35/30/47/999353047.db2.gz WLXNZNWNLMQPRS-UHFFFAOYSA-N -2 0 422.890 3.804 20 0 HHADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479346385 999396272 /nfs/dbraw/zinc/39/62/72/999396272.db2.gz QPXKFNNVILPIPK-UHFFFAOYSA-N -2 0 419.890 3.950 20 0 HHADRL Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)n1 ZINC000479454747 999425091 /nfs/dbraw/zinc/42/50/91/999425091.db2.gz KHWCQSNIZJAFNP-UHFFFAOYSA-N -2 0 419.890 3.950 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(OC(F)(F)F)c1 ZINC000488319194 999438066 /nfs/dbraw/zinc/43/80/66/999438066.db2.gz LCULQRPVYSGKQN-UHFFFAOYSA-N -2 0 415.267 3.502 20 0 HHADRL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000479517163 999456073 /nfs/dbraw/zinc/45/60/73/999456073.db2.gz WDWIUZJLDCOZGG-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1-c1ccccc1C ZINC000480226448 999750124 /nfs/dbraw/zinc/75/01/24/999750124.db2.gz OLNARIVQFRTIJC-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2)n1 ZINC000489760173 999832720 /nfs/dbraw/zinc/83/27/20/999832720.db2.gz ZOEWVKFGBAHMFD-UHFFFAOYSA-N -2 0 403.847 3.604 20 0 HHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1)C(=O)[O-] ZINC000504686370 1000325791 /nfs/dbraw/zinc/32/57/91/1000325791.db2.gz CWXGWWKWYPADAO-GFCCVEGCSA-N -2 0 407.513 3.766 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1Br ZINC000505127362 1000564658 /nfs/dbraw/zinc/56/46/58/1000564658.db2.gz CADQBENHRCTEGU-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000507013380 1001764589 /nfs/dbraw/zinc/76/45/89/1001764589.db2.gz ORAMAGWSIFDDGZ-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cccc1C(=O)Nc1ccccc1 ZINC000498415145 1001843973 /nfs/dbraw/zinc/84/39/73/1001843973.db2.gz UXEHWVUIFRMJEK-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)cc(C(=O)[O-])c1 ZINC000507562612 1002167206 /nfs/dbraw/zinc/16/72/06/1002167206.db2.gz DXCHGRLXDJQSDH-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1)C(=O)[O-] ZINC000507579749 1002184925 /nfs/dbraw/zinc/18/49/25/1002184925.db2.gz ACVUPYGGVRVPHH-ZDUSSCGKSA-N -2 0 415.496 3.510 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000509383860 1003812719 /nfs/dbraw/zinc/81/27/19/1003812719.db2.gz DOGYHHORPFXJQY-UHFFFAOYSA-N -2 0 412.345 3.632 20 0 HHADRL COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2)cn1 ZINC000509393204 1003823729 /nfs/dbraw/zinc/82/37/29/1003823729.db2.gz XELIQCYZZMNSQP-UHFFFAOYSA-N -2 0 416.430 3.704 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)cc1C(=O)[O-] ZINC000509398102 1003829791 /nfs/dbraw/zinc/82/97/91/1003829791.db2.gz ZWDUYBDGQZAKHG-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)N(Cc2ccsc2)c2ccccc2)c1 ZINC000509539318 1003932257 /nfs/dbraw/zinc/93/22/57/1003932257.db2.gz IPBLHDAJYFJVOI-UHFFFAOYSA-N -2 0 417.464 3.540 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c(OCC(F)(F)F)c1 ZINC000509585523 1003962294 /nfs/dbraw/zinc/96/22/94/1003962294.db2.gz FZIWQAKXCLZWIT-UHFFFAOYSA-N -2 0 421.368 3.883 20 0 HHADRL O=S(=O)([N-]c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000509647575 1004003993 /nfs/dbraw/zinc/00/39/93/1004003993.db2.gz ZYXZEHRNBRMCQQ-UHFFFAOYSA-N -2 0 424.450 3.566 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)c(F)cc1F ZINC000512726545 1004521049 /nfs/dbraw/zinc/52/10/49/1004521049.db2.gz YDFNPTOIZBOKMD-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000512750216 1004535807 /nfs/dbraw/zinc/53/58/07/1004535807.db2.gz QDZIUPLVCIAHNX-UHFFFAOYSA-N -2 0 406.847 3.970 20 0 HHADRL COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1Cl ZINC000512775999 1004552994 /nfs/dbraw/zinc/55/29/94/1004552994.db2.gz HAAHKYLRDNQUSS-UHFFFAOYSA-N -2 0 408.234 3.949 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2OC[C@H]2CCCCO2)c1 ZINC000512785603 1004558565 /nfs/dbraw/zinc/55/85/65/1004558565.db2.gz LQQDDVBXQUUBSO-CQSZACIVSA-N -2 0 423.462 3.581 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2OC[C@@H]2CCCCO2)c1 ZINC000512785602 1004558829 /nfs/dbraw/zinc/55/88/29/1004558829.db2.gz LQQDDVBXQUUBSO-AWEZNQCLSA-N -2 0 423.462 3.581 20 0 HHADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)c2)oc1C ZINC000512794885 1004562491 /nfs/dbraw/zinc/56/24/91/1004562491.db2.gz KCSRDJFRQNUYIJ-UHFFFAOYSA-N -2 0 404.419 3.905 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)sc1C(=O)[O-] ZINC000501796221 1004738850 /nfs/dbraw/zinc/73/88/50/1004738850.db2.gz MSXZUBWDEVCUEX-UHFFFAOYSA-N -2 0 422.509 3.869 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc1Cl ZINC000511132047 1005036426 /nfs/dbraw/zinc/03/64/26/1005036426.db2.gz UKWNCCMJCFXEFN-UHFFFAOYSA-N -2 0 413.879 3.980 20 0 HHADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)nc3)c1)CCC2 ZINC000511190659 1005067239 /nfs/dbraw/zinc/06/72/39/1005067239.db2.gz YQOKKQKPNBTIAP-UHFFFAOYSA-N -2 0 410.451 3.862 20 0 HHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C(F)F ZINC000534057360 1006028565 /nfs/dbraw/zinc/02/85/65/1006028565.db2.gz CWFWLEJKKKBSHS-UHFFFAOYSA-N -2 0 407.826 3.629 20 0 HHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1C1CC1 ZINC000534234280 1006234969 /nfs/dbraw/zinc/23/49/69/1006234969.db2.gz FMTHIGMEQCCUKZ-GFCCVEGCSA-N -2 0 403.504 3.719 20 0 HHADRL COc1ccnc2c([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3C)cccc12 ZINC000534317291 1006295814 /nfs/dbraw/zinc/29/58/14/1006295814.db2.gz NIQYPDKEEAXPOS-UHFFFAOYSA-N -2 0 406.847 3.704 20 0 HHADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccccc3OCC(F)(F)F)c1)CCC2 ZINC000515695468 1006594478 /nfs/dbraw/zinc/59/44/78/1006594478.db2.gz LBYLBOIMMRRANW-UHFFFAOYSA-N -2 0 415.389 3.615 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3)c2)cc1C(=O)[O-] ZINC000532724537 1007133877 /nfs/dbraw/zinc/13/38/77/1007133877.db2.gz HMSPVCGOQPAWNW-UHFFFAOYSA-N -2 0 419.890 3.646 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000535137514 1007176913 /nfs/dbraw/zinc/17/69/13/1007176913.db2.gz KXTILFQXFWEZBP-UHFFFAOYSA-N -2 0 407.341 3.661 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1F ZINC000533164727 1007502772 /nfs/dbraw/zinc/50/27/72/1007502772.db2.gz JLELQYARFHBIMR-UHFFFAOYSA-N -2 0 414.661 3.802 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])sc1Br ZINC000535592308 1007609629 /nfs/dbraw/zinc/60/96/29/1007609629.db2.gz KEPMOEKAVJHYJC-UHFFFAOYSA-N -2 0 408.270 3.766 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)cc1C(=O)[O-] ZINC000535617488 1007621964 /nfs/dbraw/zinc/62/19/64/1007621964.db2.gz PMFALOBOYCPNPJ-UHFFFAOYSA-N -2 0 401.435 3.593 20 0 HHADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000518280729 1008237351 /nfs/dbraw/zinc/23/73/51/1008237351.db2.gz KVDZYGDYOHVJHF-UHFFFAOYSA-N -2 0 424.906 3.711 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000543021763 1008600874 /nfs/dbraw/zinc/60/08/74/1008600874.db2.gz AAMRBRORCOSHJB-UHFFFAOYSA-N -2 0 413.499 3.643 20 0 HHADRL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000547547866 1010346905 /nfs/dbraw/zinc/34/69/05/1010346905.db2.gz DAZYHSDECRIWPC-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000547555094 1010348013 /nfs/dbraw/zinc/34/80/13/1010348013.db2.gz BFMCEUHPSXPJIP-UHFFFAOYSA-N -2 0 418.515 3.675 20 0 HHADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c(C(=O)[O-])c1 ZINC000548524148 1010655778 /nfs/dbraw/zinc/65/57/78/1010655778.db2.gz FDHPRPVWCOITCB-UHFFFAOYSA-N -2 0 418.858 3.951 20 0 HHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)ccc12 ZINC000521961562 1010739235 /nfs/dbraw/zinc/73/92/35/1010739235.db2.gz MKKAASLBNQPMDL-UHFFFAOYSA-N -2 0 402.325 3.825 20 0 HHADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)n[nH]2)s1 ZINC000541074541 1011714520 /nfs/dbraw/zinc/71/45/20/1011714520.db2.gz FFRVPYUCQLCTOV-UHFFFAOYSA-N -2 0 419.528 3.800 20 0 HHADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000541806858 1012690074 /nfs/dbraw/zinc/69/00/74/1012690074.db2.gz VOQTUMNTDAMIMB-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)cs1 ZINC000614866701 1071845054 /nfs/dbraw/zinc/84/50/54/1071845054.db2.gz AXIAOTOLCDYZNY-UHFFFAOYSA-N -2 0 420.443 3.639 20 0 HHADRL Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2)n1 ZINC000591679641 1074484171 /nfs/dbraw/zinc/48/41/71/1074484171.db2.gz WMKRRORTPLXQHY-UHFFFAOYSA-N -2 0 421.525 3.805 20 0 HHADRL CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000591681750 1074485206 /nfs/dbraw/zinc/48/52/06/1074485206.db2.gz KDXFDWNLBKHBNZ-UHFFFAOYSA-N -2 0 419.908 3.624 20 0 HHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Sc1nccn1C ZINC000591682468 1074486731 /nfs/dbraw/zinc/48/67/31/1074486731.db2.gz YYECITFVDUUMDN-UHFFFAOYSA-N -2 0 421.475 3.518 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000574500550 1075285593 /nfs/dbraw/zinc/28/55/93/1075285593.db2.gz MLHUSYJVYUSSCA-UHFFFAOYSA-N -2 0 405.501 3.865 20 0 HHADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000542235069 1013191615 /nfs/dbraw/zinc/19/16/15/1013191615.db2.gz AGRMUFSXDALJJQ-LLVKDONJSA-N -2 0 411.863 3.506 20 0 HHADRL Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000012647381 962306148 /nfs/dbraw/zinc/30/61/48/962306148.db2.gz QLUPVMUEPGBEQX-UHFFFAOYSA-N -2 0 423.903 3.724 20 0 HHADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000013032704 962360738 /nfs/dbraw/zinc/36/07/38/962360738.db2.gz WFCDKFGUEVDXGO-UHFFFAOYSA-N -2 0 423.487 3.509 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000057123944 965297478 /nfs/dbraw/zinc/29/74/78/965297478.db2.gz KJRVCUREDRTVPW-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000055149657 965768520 /nfs/dbraw/zinc/76/85/20/965768520.db2.gz XXQUJETZAUNTEI-UHFFFAOYSA-N -2 0 414.480 3.518 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)sc1Br ZINC000542734780 1013646833 /nfs/dbraw/zinc/64/68/33/1013646833.db2.gz OPNLORQOANLBDJ-SNVBAGLBSA-N -2 0 418.334 3.883 20 0 HHADRL O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000064478077 967204669 /nfs/dbraw/zinc/20/46/69/967204669.db2.gz MTPACSITCQWNNZ-UHFFFAOYSA-N -2 0 424.450 3.566 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)c1C ZINC000071946531 968903153 /nfs/dbraw/zinc/90/31/53/968903153.db2.gz YZOGHYGRUJTXQX-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1C(=O)[O-] ZINC000097573166 969167636 /nfs/dbraw/zinc/16/76/36/969167636.db2.gz ZURVRWHNGKGMOO-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000098080606 969192894 /nfs/dbraw/zinc/19/28/94/969192894.db2.gz VSLAESJTWWZWHG-UHFFFAOYSA-N -2 0 411.414 3.664 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1C ZINC000109284236 969491222 /nfs/dbraw/zinc/49/12/22/969491222.db2.gz QQXXVMSJMGGAIG-UHFFFAOYSA-N -2 0 417.361 3.519 20 0 HHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000110277824 969646526 /nfs/dbraw/zinc/64/65/26/969646526.db2.gz TZBMZIIMRREEAK-UHFFFAOYSA-N -2 0 413.879 3.701 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2SC(=O)N(C)C)c1C ZINC000110900549 969738170 /nfs/dbraw/zinc/73/81/70/969738170.db2.gz FSENAOYIUCAGEV-UHFFFAOYSA-N -2 0 408.501 3.576 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1Br ZINC000320420868 972680845 /nfs/dbraw/zinc/68/08/45/972680845.db2.gz XZHRSNJSBGQCPN-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000322266393 972699361 /nfs/dbraw/zinc/69/93/61/972699361.db2.gz QNZZYBSKWZJZGG-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Br)c2C)cnc1Cl ZINC000322897738 972704788 /nfs/dbraw/zinc/70/47/88/972704788.db2.gz AVVJDSBOPXEOGZ-UHFFFAOYSA-N -2 0 419.684 3.613 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000323907714 972717142 /nfs/dbraw/zinc/71/71/42/972717142.db2.gz QYXLNHJMAHWKGL-UHFFFAOYSA-N -2 0 424.194 3.967 20 0 HHADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000325392581 972731670 /nfs/dbraw/zinc/73/16/70/972731670.db2.gz DAQOCOSFNANBRE-UHFFFAOYSA-N -2 0 424.194 3.967 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(Br)c(C)c1 ZINC000325952009 972736481 /nfs/dbraw/zinc/73/64/81/972736481.db2.gz LNAKHDUBSJEHAY-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1c(Br)cc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1C(=O)[O-] ZINC000327243694 972755530 /nfs/dbraw/zinc/75/55/30/972755530.db2.gz ULBCZWYJTVRLAG-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)sc1Br ZINC000387696753 972802199 /nfs/dbraw/zinc/80/21/99/972802199.db2.gz OMUZGMAEFJDJIQ-UHFFFAOYSA-N -2 0 412.233 3.596 20 0 HHADRL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000390371202 972822886 /nfs/dbraw/zinc/82/28/86/972822886.db2.gz PZVMYIDPNTXGKX-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000390999652 972835560 /nfs/dbraw/zinc/83/55/60/972835560.db2.gz FTCCWSVZMQNKIV-UHFFFAOYSA-N -2 0 418.334 3.982 20 0 HHADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000391929689 972845963 /nfs/dbraw/zinc/84/59/63/972845963.db2.gz XFFMEKZIGHJEMN-UHFFFAOYSA-N -2 0 419.684 3.613 20 0 HHADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000392479322 972852890 /nfs/dbraw/zinc/85/28/90/972852890.db2.gz XUEZPTYKECQKTE-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1Br ZINC000392512384 972854200 /nfs/dbraw/zinc/85/42/00/972854200.db2.gz QBENTAMMMRYRLY-UHFFFAOYSA-N -2 0 424.194 3.967 20 0 HHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000410401647 974001530 /nfs/dbraw/zinc/00/15/30/974001530.db2.gz NLHJVIIAWUAIJF-UHFFFAOYSA-N -2 0 400.456 3.829 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)cc(OC(C)C)c1 ZINC000426006673 974121858 /nfs/dbraw/zinc/12/18/58/974121858.db2.gz GUBYWFPNDFCPJC-UHFFFAOYSA-N -2 0 418.265 3.637 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccc(C)cc1 ZINC000431889889 978580483 /nfs/dbraw/zinc/58/04/83/978580483.db2.gz ABFYKEVSSIPOBL-UHFFFAOYSA-N -2 0 413.499 3.941 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1-c1ccc(C)cc1 ZINC000431906504 978590521 /nfs/dbraw/zinc/59/05/21/978590521.db2.gz GTTGYJKEHUVTNU-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL Cc1cc(F)ccc1N(Cc1ccco1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433503976 979341967 /nfs/dbraw/zinc/34/19/67/979341967.db2.gz YDUMXJIJGJXXGW-UHFFFAOYSA-N -2 0 405.403 3.526 20 0 HHADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(Cl)c3C)c2C)o1 ZINC000433616160 979427674 /nfs/dbraw/zinc/42/76/74/979427674.db2.gz GBIQIQWHYRXSQD-UHFFFAOYSA-N -2 0 409.851 3.747 20 0 HHADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1 ZINC000433807797 979590064 /nfs/dbraw/zinc/59/00/64/979590064.db2.gz LAHBRDOXVUKCOW-UHFFFAOYSA-N -2 0 405.472 3.538 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(C)ccc3F)[nH]n2)cc1C(=O)[O-] ZINC000436169070 981231751 /nfs/dbraw/zinc/23/17/51/981231751.db2.gz ACRHLOACAZMDJE-UHFFFAOYSA-N -2 0 403.435 3.586 20 0 HHADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000436608123 981471781 /nfs/dbraw/zinc/47/17/81/981471781.db2.gz PBJVPCPUSRHVOF-UHFFFAOYSA-N -2 0 411.501 3.843 20 0 HHADRL COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1Cl ZINC000436627103 981481993 /nfs/dbraw/zinc/48/19/93/981481993.db2.gz NBKCBROMXIAKOZ-UHFFFAOYSA-N -2 0 406.243 3.515 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c(C(F)(F)F)c1 ZINC000436724388 981532374 /nfs/dbraw/zinc/53/23/74/981532374.db2.gz PRIPIENAJNNYMD-UHFFFAOYSA-N -2 0 419.377 3.617 20 0 HHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cs1 ZINC000437669297 982284607 /nfs/dbraw/zinc/28/46/07/982284607.db2.gz OJPQPNCYGZCVKL-UHFFFAOYSA-N -2 0 418.496 3.691 20 0 HHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000438765092 983056450 /nfs/dbraw/zinc/05/64/50/983056450.db2.gz MQYRITRHXMWIQJ-UHFFFAOYSA-N -2 0 405.472 3.671 20 0 HHADRL Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438765637 983057002 /nfs/dbraw/zinc/05/70/02/983057002.db2.gz UMCFXDIZNYWAGB-UHFFFAOYSA-N -2 0 423.903 3.724 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c(F)c1 ZINC000438799601 983078464 /nfs/dbraw/zinc/07/84/64/983078464.db2.gz ILJZAGXUBGZBJU-UHFFFAOYSA-N -2 0 405.403 3.635 20 0 HHADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)O[C@@H](C)C2 ZINC000438803780 983080755 /nfs/dbraw/zinc/08/07/55/983080755.db2.gz GLEMSGWDCWCUTF-JTQLQIEISA-N -2 0 411.863 3.561 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)cc1Cl ZINC000438806503 983082373 /nfs/dbraw/zinc/08/23/73/983082373.db2.gz FEHFGBKQXAXBNB-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(OCc2ccccc2)c1 ZINC000438814483 983089237 /nfs/dbraw/zinc/08/92/37/983089237.db2.gz PDHXNHHHKHQABL-UHFFFAOYSA-N -2 0 419.480 3.835 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(-c3cc(C)ccc3C)c2C)cc1C(=O)[O-] ZINC000440805392 983914204 /nfs/dbraw/zinc/91/42/04/983914204.db2.gz JVUAXSAFODJOPK-UHFFFAOYSA-N -2 0 413.499 3.859 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCc2ccc(F)cc2)c1 ZINC000462062911 985035806 /nfs/dbraw/zinc/03/58/06/985035806.db2.gz ZQCUPDAGOORXLR-UHFFFAOYSA-N -2 0 405.403 3.805 20 0 HHADRL Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC000462080969 985052067 /nfs/dbraw/zinc/05/20/67/985052067.db2.gz YWYKLWMZZUQXDU-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000467926554 985560084 /nfs/dbraw/zinc/56/00/84/985560084.db2.gz IQXWJAZXQPYVCF-UHFFFAOYSA-N -2 0 402.410 3.576 20 0 HHADRL COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000468350809 986047386 /nfs/dbraw/zinc/04/73/86/986047386.db2.gz RWKCBJSTRSBKPX-GFCCVEGCSA-N -2 0 413.879 3.561 20 0 HHADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000463796094 986786931 /nfs/dbraw/zinc/78/69/31/986786931.db2.gz YKILZZDJHSZPGO-UHFFFAOYSA-N -2 0 414.867 3.558 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000469143317 986864467 /nfs/dbraw/zinc/86/44/67/986864467.db2.gz ZOJQNBFSFZMHTH-UHFFFAOYSA-N -2 0 402.255 3.842 20 0 HHADRL Cc1csc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2F)n1 ZINC000470263441 988211640 /nfs/dbraw/zinc/21/16/40/988211640.db2.gz LLQWNLJMEXJNJT-UHFFFAOYSA-N -2 0 412.420 3.783 20 0 HHADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000471118913 989224005 /nfs/dbraw/zinc/22/40/05/989224005.db2.gz MBVPKHAASOLLGI-UHFFFAOYSA-N -2 0 421.402 3.541 20 0 HHADRL Cn1ccc2cccc([N-]S(=O)(=O)c3ccc(OCCCC(=O)[O-])c(Cl)c3)c21 ZINC000471576807 989778861 /nfs/dbraw/zinc/77/88/61/989778861.db2.gz FZWBLQQEUTVYTD-UHFFFAOYSA-N -2 0 422.890 3.876 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000471967964 990133568 /nfs/dbraw/zinc/13/35/68/990133568.db2.gz DGJNIJRONIFEOV-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2c(C)cccc2SC)c(Cl)cc1C(=O)[O-] ZINC000471975863 990141710 /nfs/dbraw/zinc/14/17/10/990141710.db2.gz DBNKVZGGOKJGLU-UHFFFAOYSA-N -2 0 401.893 3.878 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1OCC(F)(F)F ZINC000466278342 991524783 /nfs/dbraw/zinc/52/47/83/991524783.db2.gz COZPNKRYNINNDL-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1OC ZINC000467299675 992624953 /nfs/dbraw/zinc/62/49/53/992624953.db2.gz MHPBNLITDKBNLS-UHFFFAOYSA-N -2 0 423.487 3.628 20 0 HHADRL Cc1ccc(-n2ncc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)c2C(C)C)cc1 ZINC000481872615 994736867 /nfs/dbraw/zinc/73/68/67/994736867.db2.gz WIVQHVHKRORYEW-UHFFFAOYSA-N -2 0 418.457 3.614 20 0 HHADRL Cc1nccc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(Cl)c3C)c2)n1 ZINC000476244296 996702728 /nfs/dbraw/zinc/70/27/28/996702728.db2.gz FLZIJUVWZGUOKY-UHFFFAOYSA-N -2 0 417.874 3.913 20 0 HHADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])c1 ZINC000484481112 996800789 /nfs/dbraw/zinc/80/07/89/996800789.db2.gz SXMBUEWYLLGIHU-UHFFFAOYSA-N -2 0 407.513 3.955 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(SCCC(=O)[O-])c1 ZINC000484499229 996825130 /nfs/dbraw/zinc/82/51/30/996825130.db2.gz LWMACDAKCHJNJX-UHFFFAOYSA-N -2 0 405.419 3.780 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(-c2nc(C3CC3)no2)c1 ZINC000476405230 996864403 /nfs/dbraw/zinc/86/44/03/996864403.db2.gz AXBPUSBEGLCLKG-UHFFFAOYSA-N -2 0 417.418 3.561 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c(F)cc1F ZINC000484945207 997322657 /nfs/dbraw/zinc/32/26/57/997322657.db2.gz XYIPXLOMTFJLGM-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000484950696 997328559 /nfs/dbraw/zinc/32/85/59/997328559.db2.gz FUHBKBBDUXIMDQ-UHFFFAOYSA-N -2 0 402.497 3.973 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000484979907 997344823 /nfs/dbraw/zinc/34/48/23/997344823.db2.gz YBPIBXKSAZZDKZ-UHFFFAOYSA-N -2 0 414.277 3.737 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c(Cl)cc1C(=O)[O-] ZINC000485264749 997658217 /nfs/dbraw/zinc/65/82/17/997658217.db2.gz IZZZNUDQQLLSBH-UHFFFAOYSA-N -2 0 423.796 3.952 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1F ZINC000485394310 997822873 /nfs/dbraw/zinc/82/28/73/997822873.db2.gz VJNBGXYVCGEHAF-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)c(O)c1 ZINC000488277378 999420697 /nfs/dbraw/zinc/42/06/97/999420697.db2.gz GHYQPFQRNMLSHC-UHFFFAOYSA-N -2 0 411.863 3.724 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)c(O)c1 ZINC000479494295 999443429 /nfs/dbraw/zinc/44/34/29/999443429.db2.gz FLDKGTZLLBGEOI-UHFFFAOYSA-N -2 0 422.256 3.807 20 0 HHADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000479508064 999450693 /nfs/dbraw/zinc/45/06/93/999450693.db2.gz FNZZABGLKKTBLQ-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(Br)c(C)c(C(=O)[O-])c2)s1 ZINC000488996206 999667658 /nfs/dbraw/zinc/66/76/58/999667658.db2.gz LCHKIXYSCCOPHD-UHFFFAOYSA-N -2 0 419.322 3.584 20 0 HHADRL COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)CCC2 ZINC000480198477 999742731 /nfs/dbraw/zinc/74/27/31/999742731.db2.gz NURWJMUVJSBDFA-UHFFFAOYSA-N -2 0 415.389 3.702 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000480239995 999753858 /nfs/dbraw/zinc/75/38/58/999753858.db2.gz GWLLXCNINHYUPL-UHFFFAOYSA-N -2 0 423.853 3.726 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)c(Cl)c1 ZINC000489587170 999797905 /nfs/dbraw/zinc/79/79/05/999797905.db2.gz PPMSMTSQCQQEJE-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c1 ZINC000504686946 1000325991 /nfs/dbraw/zinc/32/59/91/1000325991.db2.gz LYPMNUCDTWSQSA-ZDUSSCGKSA-N -2 0 402.497 3.909 20 0 HHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)cc1 ZINC000505299992 1000683177 /nfs/dbraw/zinc/68/31/77/1000683177.db2.gz NJUOPRBCRBYXMZ-UHFFFAOYSA-N -2 0 421.368 3.585 20 0 HHADRL COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000506691032 1001495315 /nfs/dbraw/zinc/49/53/15/1001495315.db2.gz VZVQPISKONPVTK-UHFFFAOYSA-N -2 0 418.254 3.587 20 0 HHADRL CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)C(C)C ZINC000507889201 1002421234 /nfs/dbraw/zinc/42/12/34/1002421234.db2.gz NXRHGHBOIZVAFU-UHFFFAOYSA-N -2 0 418.515 3.755 20 0 HHADRL CCOc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507967676 1002499437 /nfs/dbraw/zinc/49/94/37/1002499437.db2.gz QWKOUJIPKCURNQ-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c(Cl)cc1C(=O)[O-] ZINC000499282425 1002692910 /nfs/dbraw/zinc/69/29/10/1002692910.db2.gz TZTZQABRESTMKG-UHFFFAOYSA-N -2 0 408.819 3.503 20 0 HHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000500341965 1003640995 /nfs/dbraw/zinc/64/09/95/1003640995.db2.gz BCUSCWMPTDXBHZ-UHFFFAOYSA-N -2 0 413.879 3.701 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cccc(F)c4)nc3c2)c1 ZINC000511109859 1005022855 /nfs/dbraw/zinc/02/28/55/1005022855.db2.gz VPWVUATYJUTNFX-UHFFFAOYSA-N -2 0 417.443 3.930 20 0 HHADRL O=C([O-])CCCCCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000502778807 1005214165 /nfs/dbraw/zinc/21/41/65/1005214165.db2.gz RRDSCKCXVWZOAL-UHFFFAOYSA-N -2 0 424.906 3.516 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC[C@@H]1CCCCO1 ZINC000511724020 1005293576 /nfs/dbraw/zinc/29/35/76/1005293576.db2.gz TVKMFMGSPMUAKB-KRWDZBQOSA-N -2 0 419.499 3.696 20 0 HHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000504255163 1005583273 /nfs/dbraw/zinc/58/32/73/1005583273.db2.gz ZBPXFIKNVCVUHS-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000504254700 1005583393 /nfs/dbraw/zinc/58/33/93/1005583393.db2.gz UWKOBHNIYDSWGM-UHFFFAOYSA-N -2 0 422.659 3.670 20 0 HHADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)c1Cl ZINC000515693699 1006593396 /nfs/dbraw/zinc/59/33/96/1006593396.db2.gz AEIJXYZDIFNIBS-UHFFFAOYSA-N -2 0 418.254 3.572 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)nn1-c1cccc(F)c1 ZINC000538451428 1006720104 /nfs/dbraw/zinc/72/01/04/1006720104.db2.gz XAYWWLLTFHKPNV-UHFFFAOYSA-N -2 0 423.853 3.781 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2OC[C@@H]2CCCCO2)c1C ZINC000516238004 1006966695 /nfs/dbraw/zinc/96/66/95/1006966695.db2.gz FJZOJJAQOUANRU-KRWDZBQOSA-N -2 0 419.499 3.750 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cnn([C@@H](C)CC)c2C2CC2)cc1C(=O)[O-] ZINC000534971187 1007027415 /nfs/dbraw/zinc/02/74/15/1007027415.db2.gz ALPMWZLZUREONA-LBPRGKRZSA-N -2 0 407.492 3.629 20 0 HHADRL O=C(Nc1cccc(Cl)c1[O-])c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000532991765 1007363195 /nfs/dbraw/zinc/36/31/95/1007363195.db2.gz QUZOLOKRVBBWLS-UHFFFAOYSA-N -2 0 409.876 3.555 20 0 HHADRL Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000539805551 1008106992 /nfs/dbraw/zinc/10/69/92/1008106992.db2.gz FOGBPZMBFNQCLG-JTQLQIEISA-N -2 0 413.503 3.604 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cnn1-c1cccc(F)c1 ZINC000543163705 1008738628 /nfs/dbraw/zinc/73/86/28/1008738628.db2.gz DPKXKVQRMOZANZ-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000546628586 1009638613 /nfs/dbraw/zinc/63/86/13/1009638613.db2.gz OWMDRLFPESIOEH-UHFFFAOYSA-N -2 0 420.487 3.568 20 0 HHADRL O=C([O-])c1csc(Cc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)n1 ZINC000544093220 1009701668 /nfs/dbraw/zinc/70/16/68/1009701668.db2.gz GQMMQRFPJFGQFZ-UHFFFAOYSA-N -2 0 410.423 3.511 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)cc1F ZINC000547336269 1010258130 /nfs/dbraw/zinc/25/81/30/1010258130.db2.gz BCSQWZLKAGTOQH-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)OCO2 ZINC000547546269 1010345817 /nfs/dbraw/zinc/34/58/17/1010345817.db2.gz DOMAZUKUNRCMQM-UHFFFAOYSA-N -2 0 423.752 3.587 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c(Cl)c1Cl ZINC000547553441 1010347497 /nfs/dbraw/zinc/34/74/97/1010347497.db2.gz PUBYWSPMCLZFGZ-UHFFFAOYSA-N -2 0 408.234 3.949 20 0 HHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000547552424 1010347740 /nfs/dbraw/zinc/34/77/40/1010347740.db2.gz GNKSFJBWAJRWAE-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000547938304 1010474798 /nfs/dbraw/zinc/47/47/98/1010474798.db2.gz QLMGEAWJJFNMSR-UHFFFAOYSA-N -2 0 405.806 3.657 20 0 HHADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000551296762 1010500918 /nfs/dbraw/zinc/50/09/18/1010500918.db2.gz NIRNVZVLJUXYPD-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(S(=O)(=O)Nc2ccc(Cc3nc(C(=O)[O-])cs3)cc2)c(C)c1 ZINC000548208108 1010560949 /nfs/dbraw/zinc/56/09/49/1010560949.db2.gz SQJBDNQKPSGCSE-UHFFFAOYSA-N -2 0 418.496 3.550 20 0 HHADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(Br)s2)c(C(=O)[O-])c1 ZINC000548266998 1010575847 /nfs/dbraw/zinc/57/58/47/1010575847.db2.gz OBMYRUSVALWRMI-UHFFFAOYSA-N -2 0 420.306 3.635 20 0 HHADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000548526656 1010656699 /nfs/dbraw/zinc/65/66/99/1010656699.db2.gz LQKKDIBVHBUMBT-LRDDRELGSA-N -2 0 417.405 3.865 20 0 HHADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000548526650 1010656951 /nfs/dbraw/zinc/65/69/51/1010656951.db2.gz LQKKDIBVHBUMBT-BLLLJJGKSA-N -2 0 417.405 3.865 20 0 HHADRL O=S(=O)([N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1)c1cc(F)cc(F)c1 ZINC000545214733 1010687502 /nfs/dbraw/zinc/68/75/02/1010687502.db2.gz TVSFIMQGTDHWBV-UHFFFAOYSA-N -2 0 424.450 3.566 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c2ncccc12 ZINC000545315887 1010727609 /nfs/dbraw/zinc/72/76/09/1010727609.db2.gz DYDZLHIYFJINON-UHFFFAOYSA-N -2 0 406.847 3.704 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1-c1cc(C)cc(C)c1 ZINC000540695854 1011348384 /nfs/dbraw/zinc/34/83/84/1011348384.db2.gz GMSSOASHMKAMGH-UHFFFAOYSA-N -2 0 419.890 3.950 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[n-]3)cc(C(F)(F)F)c2)sc1C ZINC000536905290 1012168295 /nfs/dbraw/zinc/16/82/95/1012168295.db2.gz NCFVIBVTHQNLCU-UHFFFAOYSA-N -2 0 418.422 3.675 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000542093140 1013020269 /nfs/dbraw/zinc/02/02/69/1013020269.db2.gz HFRYOBSGDULPRH-UHFFFAOYSA-N -2 0 413.499 3.941 20 0 HHADRL Cc1cc(C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000614846603 1071760752 /nfs/dbraw/zinc/76/07/52/1071760752.db2.gz XITVDEONXULRJB-UHFFFAOYSA-N -2 0 422.528 3.618 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C(C)C)n2)c1C ZINC000614842073 1071759293 /nfs/dbraw/zinc/75/92/93/1071759293.db2.gz SWHPGQOBIOTAIV-UHFFFAOYSA-N -2 0 414.487 3.711 20 0 HHADRL CCc1ccccc1S(=O)(=O)[N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000488230196 1072139857 /nfs/dbraw/zinc/13/98/57/1072139857.db2.gz KETYPPIXDJAUDU-UHFFFAOYSA-N -2 0 416.524 3.851 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000591679692 1074483498 /nfs/dbraw/zinc/48/34/98/1074483498.db2.gz ZNDIYEZKPUNZDB-UHFFFAOYSA-N -2 0 422.509 3.869 20 0 HHADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000591683818 1074487293 /nfs/dbraw/zinc/48/72/93/1074487293.db2.gz VIOIEMYCGVZGKK-UHFFFAOYSA-N -2 0 401.893 3.960 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)cs1 ZINC000592986954 1075154686 /nfs/dbraw/zinc/15/46/86/1075154686.db2.gz PNGUVKDJEIYCBN-GFCCVEGCSA-N -2 0 406.485 3.542 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1cccc(F)c1 ZINC000542236194 1013192799 /nfs/dbraw/zinc/19/27/99/1013192799.db2.gz ZZXKXCFLGHEHHN-UHFFFAOYSA-N -2 0 409.464 3.524 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(C(=O)[O-])cc1OC ZINC000013263157 962381426 /nfs/dbraw/zinc/38/14/26/962381426.db2.gz DRMCOVDUCVZUEB-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000013278957 962383867 /nfs/dbraw/zinc/38/38/67/962383867.db2.gz KWHYCGBIKKMZOP-UHFFFAOYSA-N -2 0 416.864 3.778 20 0 HHADRL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000013349721 962390104 /nfs/dbraw/zinc/39/01/04/962390104.db2.gz XXEFWJVWZXIKIJ-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)c(C)c1 ZINC000057126380 965300968 /nfs/dbraw/zinc/30/09/68/965300968.db2.gz HLMMDDOORYGNRK-UHFFFAOYSA-N -2 0 414.439 3.690 20 0 HHADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C)O[C@H](C)C2 ZINC000058519044 965766606 /nfs/dbraw/zinc/76/66/06/965766606.db2.gz UCSOEJFHWRAWIB-CYBMUJFWSA-N -2 0 405.472 3.525 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c(Br)c1 ZINC000060367194 966114677 /nfs/dbraw/zinc/11/46/77/966114677.db2.gz AKVYZLCFQVBWEP-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000063877280 966984382 /nfs/dbraw/zinc/98/43/82/966984382.db2.gz ZDVRCXQQMKPDHT-UHFFFAOYSA-N -2 0 415.826 3.545 20 0 HHADRL O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000064478104 967204441 /nfs/dbraw/zinc/20/44/41/967204441.db2.gz DDXSQGMEHKOZGY-UHFFFAOYSA-N -2 0 422.915 3.942 20 0 HHADRL O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000064478058 967204560 /nfs/dbraw/zinc/20/45/60/967204560.db2.gz PTBGBPLNWFRYMD-UHFFFAOYSA-N -2 0 424.450 3.566 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc(Cl)c1Cl ZINC000079001734 969028140 /nfs/dbraw/zinc/02/81/40/969028140.db2.gz AAQTURUJRZQLSN-UHFFFAOYSA-N -2 0 400.161 3.910 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Sc2nccn2C)c1C ZINC000111119178 969779758 /nfs/dbraw/zinc/77/97/58/969779758.db2.gz JBLYTZRIYTYXTL-UHFFFAOYSA-N -2 0 417.512 3.687 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)sc1Br ZINC000149480358 970399485 /nfs/dbraw/zinc/39/94/85/970399485.db2.gz HABPELSPRLRDBM-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)ccc1C(=O)[O-] ZINC000315235144 972643440 /nfs/dbraw/zinc/64/34/40/972643440.db2.gz XCJFYZJZAPGVIX-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1C ZINC000317533065 972656268 /nfs/dbraw/zinc/65/62/68/972656268.db2.gz ZSYCHOHOAXFTAM-UHFFFAOYSA-N -2 0 408.270 3.766 20 0 HHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000317803883 972657744 /nfs/dbraw/zinc/65/77/44/972657744.db2.gz ZKOGHEWPCRKOAT-SECBINFHSA-N -2 0 404.307 3.890 20 0 HHADRL Cc1cc(Br)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000318727118 972665375 /nfs/dbraw/zinc/66/53/75/972665375.db2.gz LTEHZBJFIWUNAV-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)cc1F ZINC000318789551 972666433 /nfs/dbraw/zinc/66/64/33/972666433.db2.gz SHFGMIWUODFUKU-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)cc1C ZINC000319915411 972674482 /nfs/dbraw/zinc/67/44/82/972674482.db2.gz ATOLANZUOOHTON-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL COc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000320334897 972679661 /nfs/dbraw/zinc/67/96/61/972679661.db2.gz AABPDMZLUPTPHO-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320378077 972680821 /nfs/dbraw/zinc/68/08/21/972680821.db2.gz RNKVAOTXQDXSDT-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)c(F)c1 ZINC000322587183 972700574 /nfs/dbraw/zinc/70/05/74/972700574.db2.gz JUYLTIXITRVQQX-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000322909684 972704436 /nfs/dbraw/zinc/70/44/36/972704436.db2.gz FLEJXEXEHMPZAC-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(Cl)cc1Cl ZINC000324927496 972727016 /nfs/dbraw/zinc/72/70/16/972727016.db2.gz UCYIBVYXEHHTPY-UHFFFAOYSA-N -2 0 400.161 3.910 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cc(Br)cnc21 ZINC000328056260 972766219 /nfs/dbraw/zinc/76/62/19/972766219.db2.gz IAVFDBLGTKLJKA-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000390410936 972822715 /nfs/dbraw/zinc/82/27/15/972822715.db2.gz LGHSAELSKAEVLI-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)cc1)C(=O)[O-] ZINC000410399557 973999354 /nfs/dbraw/zinc/99/93/54/973999354.db2.gz PQEPQJXZIIQMLJ-SNVBAGLBSA-N -2 0 416.268 3.652 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1Cl ZINC000431211439 978095613 /nfs/dbraw/zinc/09/56/13/978095613.db2.gz UMHBZBMJTOJGEU-UHFFFAOYSA-N -2 0 423.752 3.556 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1ccc(C)cc1 ZINC000431905306 978589870 /nfs/dbraw/zinc/58/98/70/978589870.db2.gz BLGLTXXVBCDTDB-UHFFFAOYSA-N -2 0 413.499 3.561 20 0 HHADRL CC(C)(c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1)C(F)(F)F ZINC000432056972 978663641 /nfs/dbraw/zinc/66/36/41/978663641.db2.gz IDTDTJATYMJHGL-UHFFFAOYSA-N -2 0 403.378 3.731 20 0 HHADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C(C)C)c2C)o1 ZINC000433619264 979430298 /nfs/dbraw/zinc/43/02/98/979430298.db2.gz VJBNSMDVNBHADE-UHFFFAOYSA-N -2 0 403.460 3.909 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)c(F)c1 ZINC000435145974 980677555 /nfs/dbraw/zinc/67/75/55/980677555.db2.gz IGJFLXVWZUZAQS-UHFFFAOYSA-N -2 0 404.444 3.871 20 0 HHADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1C ZINC000435728979 981005965 /nfs/dbraw/zinc/00/59/65/981005965.db2.gz AJVAGVPTICXFPB-UHFFFAOYSA-N -2 0 419.377 3.710 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1C(F)(F)F ZINC000436177243 981236412 /nfs/dbraw/zinc/23/64/12/981236412.db2.gz SEFKDLDRBFAMFG-UHFFFAOYSA-N -2 0 423.372 3.661 20 0 HHADRL C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)C[C@H](C)C1 ZINC000436508076 981408384 /nfs/dbraw/zinc/40/83/84/981408384.db2.gz BUMQOIDNLPMRLP-UONOGXRCSA-N -2 0 408.545 3.763 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)c1 ZINC000436524599 981417483 /nfs/dbraw/zinc/41/74/83/981417483.db2.gz ANWLTLHMCRXFLY-UHFFFAOYSA-N -2 0 416.430 3.709 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000436706722 981522914 /nfs/dbraw/zinc/52/29/14/981522914.db2.gz WCPIJAMQZQAVEX-UHFFFAOYSA-N -2 0 403.378 3.695 20 0 HHADRL O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)cc1[O-] ZINC000436732580 981537012 /nfs/dbraw/zinc/53/70/12/981537012.db2.gz RVMSWGGRCPQCMS-UHFFFAOYSA-N -2 0 409.876 3.555 20 0 HHADRL O=S(=O)([N-]c1ccc(-c2nc(CCC(F)(F)F)no2)c([O-])c1)c1cccs1 ZINC000436896713 981605159 /nfs/dbraw/zinc/60/51/59/981605159.db2.gz ZRCHVENWZAEBCH-UHFFFAOYSA-N -2 0 419.406 3.799 20 0 HHADRL C[C@H]1C[C@H](c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3[O-])n2)CCO1 ZINC000436944689 981637778 /nfs/dbraw/zinc/63/77/78/981637778.db2.gz CBMAPGIPWWDFFZ-NWDGAFQWSA-N -2 0 421.500 3.587 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)c(F)c1 ZINC000438804181 983081388 /nfs/dbraw/zinc/08/13/88/983081388.db2.gz VZJNABSLISRPLU-UHFFFAOYSA-N -2 0 402.403 3.857 20 0 HHADRL CCCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000441333385 984190917 /nfs/dbraw/zinc/19/09/17/984190917.db2.gz UDTBHXKEDKLQCK-UHFFFAOYSA-N -2 0 424.906 3.541 20 0 HHADRL CCCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000462100807 985071801 /nfs/dbraw/zinc/07/18/01/985071801.db2.gz IPDSVMTYXRETBL-UHFFFAOYSA-N -2 0 405.398 3.745 20 0 HHADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000442823105 985228478 /nfs/dbraw/zinc/22/84/78/985228478.db2.gz YYZDPQCECIOEMY-UHFFFAOYSA-N -2 0 424.283 3.649 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000443418649 985575435 /nfs/dbraw/zinc/57/54/35/985575435.db2.gz SLZOZAIJKKNVFW-UHFFFAOYSA-N -2 0 413.757 3.682 20 0 HHADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cc1F ZINC000443454638 985623663 /nfs/dbraw/zinc/62/36/63/985623663.db2.gz OIUZVRQQGRBWEA-UHFFFAOYSA-N -2 0 402.241 3.650 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCCC(F)(F)F ZINC000443527043 985697696 /nfs/dbraw/zinc/69/76/96/985697696.db2.gz GEPBRHPSVHWQOV-UHFFFAOYSA-N -2 0 411.329 3.557 20 0 HHADRL CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3nn(-c4ccccc4F)cc3[O-])c2)n1 ZINC000468616269 986331586 /nfs/dbraw/zinc/33/15/86/986331586.db2.gz XJVMQRKUFVIFMF-UHFFFAOYSA-N -2 0 419.416 3.694 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469562177 987232158 /nfs/dbraw/zinc/23/21/58/987232158.db2.gz NDUQWYDIUXKVAZ-UHFFFAOYSA-N -2 0 405.414 3.775 20 0 HHADRL Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000471566048 989766712 /nfs/dbraw/zinc/76/67/12/989766712.db2.gz HNDJVHBBRDZAFK-MRXNPFEDSA-N -2 0 413.499 3.917 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2nn([C@H](C)c3ccccc3)cc2C)cc1C(=O)[O-] ZINC000471566466 989767380 /nfs/dbraw/zinc/76/73/80/989767380.db2.gz KQUVBAGBQISKJE-OAHLLOKOSA-N -2 0 413.499 3.862 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1C(F)(F)F ZINC000471982788 990148771 /nfs/dbraw/zinc/14/87/71/990148771.db2.gz ZAXMBBYODIRUJX-UHFFFAOYSA-N -2 0 413.732 3.703 20 0 HHADRL COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000481452875 994288941 /nfs/dbraw/zinc/28/89/41/994288941.db2.gz OWQSSQRDKMNXHK-UHFFFAOYSA-N -2 0 415.423 3.692 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000473489287 994334091 /nfs/dbraw/zinc/33/40/91/994334091.db2.gz LIDPEBAAAJPRLK-UHFFFAOYSA-N -2 0 420.245 3.981 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)c(F)c1 ZINC000481956984 994840512 /nfs/dbraw/zinc/84/05/12/994840512.db2.gz NOPZWYFKCKTZHL-UHFFFAOYSA-N -2 0 401.415 3.621 20 0 HHADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1O ZINC000476375825 996813941 /nfs/dbraw/zinc/81/39/41/996813941.db2.gz INSADASVJYKPCW-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1Br ZINC000484531103 996862785 /nfs/dbraw/zinc/86/27/85/996862785.db2.gz TYXXSGSFVVBXCB-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000484982180 997346224 /nfs/dbraw/zinc/34/62/24/997346224.db2.gz YJHCGLMPYSHWJS-UHFFFAOYSA-N -2 0 404.271 3.820 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1OC ZINC000484985464 997347881 /nfs/dbraw/zinc/34/78/81/997347881.db2.gz HQQXEVLEVUQJKK-UHFFFAOYSA-N -2 0 419.377 3.530 20 0 HHADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000485277274 997672251 /nfs/dbraw/zinc/67/22/51/997672251.db2.gz XFIDIYPOYQZGKJ-UHFFFAOYSA-N -2 0 406.366 3.651 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c(Cl)cc1C(=O)[O-] ZINC000485278214 997673222 /nfs/dbraw/zinc/67/32/22/997673222.db2.gz RBTWMNYISBXGSU-UHFFFAOYSA-N -2 0 406.847 3.704 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c(Cl)cc1C(=O)[O-] ZINC000485296465 997700722 /nfs/dbraw/zinc/70/07/22/997700722.db2.gz XSZKGDWVGVHNKZ-UHFFFAOYSA-N -2 0 411.863 3.636 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1NC(=O)c1cccs1 ZINC000477393367 998080095 /nfs/dbraw/zinc/08/00/95/998080095.db2.gz OYPRKZGUVUQTCR-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL O=C([O-])c1ccc(CCC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000485656008 998105167 /nfs/dbraw/zinc/10/51/67/998105167.db2.gz QFNDTFBFLXNAQW-UHFFFAOYSA-N -2 0 424.478 3.757 20 0 HHADRL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1C ZINC000486069039 998516042 /nfs/dbraw/zinc/51/60/42/998516042.db2.gz NDBPAKSASOPUJH-UHFFFAOYSA-N -2 0 419.377 3.710 20 0 HHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000487421279 999170581 /nfs/dbraw/zinc/17/05/81/999170581.db2.gz PVQVEZYTUGYINQ-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc(C(F)(F)F)c1 ZINC000479190823 999318679 /nfs/dbraw/zinc/31/86/79/999318679.db2.gz NYQPYUHHRAEGOQ-UHFFFAOYSA-N -2 0 414.283 3.618 20 0 HHADRL CO[C@H]1CCOc2c([N-]S(=O)(=O)c3cc(Cl)c(C)c(C(=O)[O-])c3)cccc21 ZINC000479259820 999351970 /nfs/dbraw/zinc/35/19/70/999351970.db2.gz QAIYPEODXCSONR-INIZCTEOSA-N -2 0 411.863 3.617 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000479261737 999352670 /nfs/dbraw/zinc/35/26/70/999352670.db2.gz TZKQKFLCKPPWPV-UHFFFAOYSA-N -2 0 411.863 3.555 20 0 HHADRL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000479515763 999455004 /nfs/dbraw/zinc/45/50/04/999455004.db2.gz SSLRJYZILLABSF-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)c(C)c1C(=O)[O-] ZINC000479571805 999483771 /nfs/dbraw/zinc/48/37/71/999483771.db2.gz XMLQDEYKFVFSKX-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)ccc1Cl ZINC000489481477 999775644 /nfs/dbraw/zinc/77/56/44/999775644.db2.gz MEZIODSKIRQHQN-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489569434 999794338 /nfs/dbraw/zinc/79/43/38/999794338.db2.gz ZPLYHFBFMNUQKO-UHFFFAOYSA-N -2 0 420.878 3.678 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(Cl)c1 ZINC000489613429 999802777 /nfs/dbraw/zinc/80/27/77/999802777.db2.gz VIXZQVUMWVVMFN-UHFFFAOYSA-N -3 0 424.645 3.844 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1F ZINC000489695413 999819043 /nfs/dbraw/zinc/81/90/43/999819043.db2.gz CVRIWCBLRSILGX-CYBMUJFWSA-N -2 0 418.446 3.620 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000504580990 1000279580 /nfs/dbraw/zinc/27/95/80/1000279580.db2.gz YZLAYWGPNDUSNQ-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)C(=O)[O-] ZINC000504666428 1000316540 /nfs/dbraw/zinc/31/65/40/1000316540.db2.gz TVTWOVKFKWSKRI-JTQLQIEISA-N -2 0 421.418 3.951 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)c(C(=O)[O-])c1 ZINC000504666250 1000316614 /nfs/dbraw/zinc/31/66/14/1000316614.db2.gz QQKDMFYSKLSCKT-UHFFFAOYSA-N -2 0 410.498 3.688 20 0 HHADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000504703092 1000332732 /nfs/dbraw/zinc/33/27/32/1000332732.db2.gz MLYRDMBKCBDXHJ-JTQLQIEISA-N -2 0 401.893 3.715 20 0 HHADRL CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506619502 1001473257 /nfs/dbraw/zinc/47/32/57/1001473257.db2.gz PZOHILICXOQDMJ-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC000498016934 1001606363 /nfs/dbraw/zinc/60/63/63/1001606363.db2.gz VJFSYUZSHVJRNN-UHFFFAOYSA-N -2 0 409.261 3.738 20 0 HHADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000498020349 1001608125 /nfs/dbraw/zinc/60/81/25/1001608125.db2.gz JBDANXYWXLONQL-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc(C(=O)[O-])c1 ZINC000507569825 1002174889 /nfs/dbraw/zinc/17/48/89/1002174889.db2.gz SCTPQPXFMUTLQO-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Br)cc(C(=O)[O-])c1 ZINC000507642772 1002244253 /nfs/dbraw/zinc/24/42/53/1002244253.db2.gz DUCDNHXTEKNMMM-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Br)cc(Cl)c2O)ccc1C(=O)[O-] ZINC000507902000 1002436308 /nfs/dbraw/zinc/43/63/08/1002436308.db2.gz LOQJSJQKDCBNGS-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000499493103 1002880358 /nfs/dbraw/zinc/88/03/58/1002880358.db2.gz FXLKASACKOSKHQ-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000509068801 1003529911 /nfs/dbraw/zinc/52/99/11/1003529911.db2.gz RRRWQMGFXIPUMU-UHFFFAOYSA-N -2 0 403.378 3.830 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c(Cl)cc1C(=O)[O-] ZINC000509380403 1003808901 /nfs/dbraw/zinc/80/89/01/1003808901.db2.gz WISNLNXWVXZERN-UHFFFAOYSA-N -2 0 406.847 3.638 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(SCCC(=O)[O-])c1 ZINC000509384923 1003813524 /nfs/dbraw/zinc/81/35/24/1003813524.db2.gz MOGJFHUFHNUAMI-UHFFFAOYSA-N -2 0 402.497 3.911 20 0 HHADRL CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1 ZINC000512762215 1004544494 /nfs/dbraw/zinc/54/44/94/1004544494.db2.gz PDNUJKCZHWYIQN-UHFFFAOYSA-N -2 0 422.478 3.552 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)c1 ZINC000512768322 1004548673 /nfs/dbraw/zinc/54/86/73/1004548673.db2.gz ZGOWPYQNQYTSBH-UHFFFAOYSA-N -2 0 422.478 3.926 20 0 HHADRL Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)ccc2C)n1 ZINC000512785873 1004558880 /nfs/dbraw/zinc/55/88/80/1004558880.db2.gz QCRBHCPSAKKTMA-UHFFFAOYSA-N -2 0 404.419 3.905 20 0 HHADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)OCO2 ZINC000511144023 1005043049 /nfs/dbraw/zinc/04/30/49/1005043049.db2.gz IVZFPJHHGSQAAU-UHFFFAOYSA-N -2 0 424.645 3.875 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[n-]3)cc(C(F)(F)F)c2)c(C)s1 ZINC000502744707 1005198395 /nfs/dbraw/zinc/19/83/95/1005198395.db2.gz UHKLPTCFZLYPJL-UHFFFAOYSA-N -2 0 418.422 3.675 20 0 HHADRL O=C([O-])c1ccc(Oc2ccccc2)c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC000502822858 1005233048 /nfs/dbraw/zinc/23/30/48/1005233048.db2.gz FFYCTPPHUSBKLM-UHFFFAOYSA-N -2 0 413.455 3.511 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3)nc2)cc1C(=O)[O-] ZINC000504230942 1005578541 /nfs/dbraw/zinc/57/85/41/1005578541.db2.gz XEOAMISLKIWTPL-UHFFFAOYSA-N -2 0 401.444 3.503 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1 ZINC000504254593 1005583419 /nfs/dbraw/zinc/58/34/19/1005583419.db2.gz UOTVEARAXNHUOP-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1c(Br)cc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1C(=O)[O-] ZINC000534237413 1006242808 /nfs/dbraw/zinc/24/28/08/1006242808.db2.gz NMXMKBDWNTZSMQ-UHFFFAOYSA-N -2 0 417.306 3.590 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)nc1 ZINC000515629631 1006567998 /nfs/dbraw/zinc/56/79/98/1006567998.db2.gz HWTHIKYTGDALTR-UHFFFAOYSA-N -2 0 418.402 3.521 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)CC)c2C2CC2)cc1C(=O)[O-] ZINC000534971184 1007027662 /nfs/dbraw/zinc/02/76/62/1007027662.db2.gz ALPMWZLZUREONA-GFCCVEGCSA-N -2 0 407.492 3.629 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000535137867 1007176588 /nfs/dbraw/zinc/17/65/88/1007176588.db2.gz OLEYUSBAHBRBPZ-UHFFFAOYSA-N -2 0 424.233 3.649 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(SC)c2C)c(Cl)cc1C(=O)[O-] ZINC000539192018 1007491258 /nfs/dbraw/zinc/49/12/58/1007491258.db2.gz XTNZOSSDHWWBQN-UHFFFAOYSA-N -2 0 401.893 3.878 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)nn1-c1cc(C)cc(C)c1 ZINC000539599194 1007919564 /nfs/dbraw/zinc/91/95/64/1007919564.db2.gz IBZWBAIETUZLMS-UHFFFAOYSA-N -2 0 413.499 3.616 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000543907969 1009493074 /nfs/dbraw/zinc/49/30/74/1009493074.db2.gz DRGBPMJKVIRTQF-UHFFFAOYSA-N -2 0 415.414 3.650 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)c(C)c1 ZINC000547336799 1010258837 /nfs/dbraw/zinc/25/88/37/1010258837.db2.gz IUNBPZXKIXIEAA-UHFFFAOYSA-N -2 0 416.524 3.905 20 0 HHADRL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000521340885 1010316627 /nfs/dbraw/zinc/31/66/27/1010316627.db2.gz GWYDFERNHLVBLL-UHFFFAOYSA-N -2 0 419.480 3.804 20 0 HHADRL O=C([O-])c1c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cccc1[N+](=O)[O-] ZINC000547567186 1010350655 /nfs/dbraw/zinc/35/06/55/1010350655.db2.gz DCHWHEADLKDIJR-UHFFFAOYSA-N -2 0 424.740 3.766 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1C(=O)[O-] ZINC000547868621 1010457271 /nfs/dbraw/zinc/45/72/71/1010457271.db2.gz YWLLTYXSAMLQAH-UHFFFAOYSA-N -3 0 411.844 3.752 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cnn1-c1ccc(Cl)cc1 ZINC000547877976 1010458635 /nfs/dbraw/zinc/45/86/35/1010458635.db2.gz SXGXEKMFTMKAJP-UHFFFAOYSA-N -2 0 419.890 3.950 20 0 HHADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)c(C(=O)[O-])c1 ZINC000548196913 1010559418 /nfs/dbraw/zinc/55/94/18/1010559418.db2.gz XYXRAVCVMBHMTO-UHFFFAOYSA-N -2 0 422.846 3.852 20 0 HHADRL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000548524174 1010655860 /nfs/dbraw/zinc/65/58/60/1010655860.db2.gz JQOAHMBAXCVBDT-UHFFFAOYSA-N -3 0 409.803 3.592 20 0 HHADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)c(C)cc1C(=O)[O-] ZINC000548595833 1010675951 /nfs/dbraw/zinc/67/59/51/1010675951.db2.gz YUYZAWZIMGMAOE-UHFFFAOYSA-N -2 0 422.478 3.505 20 0 HHADRL O=S(=O)([N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1)c1cccc(Cl)c1 ZINC000545216252 1010688056 /nfs/dbraw/zinc/68/80/56/1010688056.db2.gz USZNRHHFFDJYAW-UHFFFAOYSA-N -2 0 422.915 3.942 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1-c1cccc(Cl)c1 ZINC000540696465 1011348914 /nfs/dbraw/zinc/34/89/14/1011348914.db2.gz PMTAFHOCPLOJLE-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)nn1-c1ccc(C)cc1 ZINC000537197589 1012616557 /nfs/dbraw/zinc/61/65/57/1012616557.db2.gz PUPKKMQWRNMVAH-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000541804972 1012687998 /nfs/dbraw/zinc/68/79/98/1012687998.db2.gz QEPXGNQBRJZYQO-UHFFFAOYSA-N -2 0 409.876 3.666 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)sc1C(=O)[O-] ZINC000614862465 1071792128 /nfs/dbraw/zinc/79/21/28/1071792128.db2.gz PARVEULVZMYLHL-CYBMUJFWSA-N -2 0 422.528 3.570 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cn(CC(C)C)nc1C(F)F ZINC000479425187 1072820335 /nfs/dbraw/zinc/82/03/35/1072820335.db2.gz OUKHYEVKJHIBBW-UHFFFAOYSA-N -2 0 421.853 3.938 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000588621657 1073061907 /nfs/dbraw/zinc/06/19/07/1073061907.db2.gz ASZFEWHMCYEJMI-UHFFFAOYSA-N -2 0 418.496 3.784 20 0 HHADRL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000555646513 1073702273 /nfs/dbraw/zinc/70/22/73/1073702273.db2.gz DIHBTZCZIVFYON-UHFFFAOYSA-N -2 0 415.243 3.841 20 0 HHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000591681964 1074485201 /nfs/dbraw/zinc/48/52/01/1074485201.db2.gz VPYPBCLLUZNCCF-UHFFFAOYSA-N -2 0 409.407 3.973 20 0 HHADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000592713900 1075099552 /nfs/dbraw/zinc/09/95/52/1075099552.db2.gz RNOLQODTODOSMC-UHFFFAOYSA-N -2 0 411.483 3.559 20 0 HHADRL Cc1ccc(-c2csc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)n2)c(C)c1 ZINC000303750714 972003305 /nfs/dbraw/zinc/00/33/05/972003305.db2.gz AGYNIAJQYAOIAN-UHFFFAOYSA-N -2 0 407.455 3.737 20 0 HHADRL Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000303911055 972482659 /nfs/dbraw/zinc/48/26/59/972482659.db2.gz XAOKNGYQHVNHAY-UHFFFAOYSA-N -2 0 413.865 3.640 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c1C ZINC000014205756 962444834 /nfs/dbraw/zinc/44/48/34/962444834.db2.gz XFKSRUAYMJDLIO-UHFFFAOYSA-N -2 0 403.378 3.744 20 0 HHADRL O=C([N-]NC(=S)Nc1ccc(Cl)cc1Cl)c1nn(-c2ccccc2)cc1[O-] ZINC000016384365 963028554 /nfs/dbraw/zinc/02/85/54/963028554.db2.gz MMYHSNSEKBYZGU-UHFFFAOYSA-N -2 0 422.297 3.516 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000024103347 963942700 /nfs/dbraw/zinc/94/27/00/963942700.db2.gz QOYACYGGMZFGEB-UHFFFAOYSA-N -2 0 408.482 3.561 20 0 HHADRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1C ZINC000057769768 965542258 /nfs/dbraw/zinc/54/22/58/965542258.db2.gz BWBRMCLFBYZONF-UHFFFAOYSA-N -2 0 418.349 3.729 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)sc1C(=O)[O-] ZINC000055632205 965977054 /nfs/dbraw/zinc/97/70/54/965977054.db2.gz BMAKCKKNFKHSPT-UHFFFAOYSA-N -2 0 404.469 3.530 20 0 HHADRL COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000041616027 966604799 /nfs/dbraw/zinc/60/47/99/966604799.db2.gz PVDUCKPZAGOYQA-UHFFFAOYSA-N -2 0 414.439 3.690 20 0 HHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000063180876 966768289 /nfs/dbraw/zinc/76/82/89/966768289.db2.gz DPSAVCHGUPRORG-UHFFFAOYSA-N -2 0 407.341 3.742 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cccc3cccnc32)ccc1OCCCC(=O)[O-] ZINC000110278438 969646579 /nfs/dbraw/zinc/64/65/79/969646579.db2.gz MJGTXZGCGJGOEA-UHFFFAOYSA-N -2 0 400.456 3.588 20 0 HHADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000122159071 969968661 /nfs/dbraw/zinc/96/86/61/969968661.db2.gz CJYZPOHQUTVNEG-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1Br ZINC000316932982 972653455 /nfs/dbraw/zinc/65/34/55/972653455.db2.gz WYDYZBLQVNMXLV-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL CCc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000317213644 972655291 /nfs/dbraw/zinc/65/52/91/972655291.db2.gz KDVDYXUSLPBMAI-UHFFFAOYSA-N -2 0 404.307 3.880 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1Br ZINC000317133540 972655340 /nfs/dbraw/zinc/65/53/40/972655340.db2.gz IYMKEEKVPGHFSP-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000320190034 972678260 /nfs/dbraw/zinc/67/82/60/972678260.db2.gz PUZZWLUWFPZEMR-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1cc(Br)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000321978152 972696646 /nfs/dbraw/zinc/69/66/46/972696646.db2.gz BZLYDFYKLAAXGK-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)cc1 ZINC000322793335 972703229 /nfs/dbraw/zinc/70/32/29/972703229.db2.gz RJMHDBOJBNISFU-UHFFFAOYSA-N -2 0 416.318 3.978 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)ccc1C(=O)[O-] ZINC000323267566 972709807 /nfs/dbraw/zinc/70/98/07/972709807.db2.gz DUSYFPJNRCSFTQ-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c(Br)c1 ZINC000326951584 972751350 /nfs/dbraw/zinc/75/13/50/972751350.db2.gz ARQACHHVOJULMC-UHFFFAOYSA-N -2 0 421.272 3.739 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(OC)cc1Cl ZINC000328002588 972764908 /nfs/dbraw/zinc/76/49/08/972764908.db2.gz GAMXWTPHXMDODY-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1Br ZINC000388192027 972804159 /nfs/dbraw/zinc/80/41/59/972804159.db2.gz POYMIBLDAFZCLL-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC000396417139 972869170 /nfs/dbraw/zinc/86/91/70/972869170.db2.gz BCBZBSKZSNAUMK-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)sc1C(=O)[O-] ZINC000409866761 973334677 /nfs/dbraw/zinc/33/46/77/973334677.db2.gz MYCZSIMVOLKYGB-UHFFFAOYSA-N -2 0 422.528 3.618 20 0 HHADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])ccc1CC ZINC000430987031 977932907 /nfs/dbraw/zinc/93/29/07/977932907.db2.gz IZRJFXZCZXNFPP-UHFFFAOYSA-N -2 0 405.472 3.641 20 0 HHADRL CCc1cccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000433519085 979353102 /nfs/dbraw/zinc/35/31/02/979353102.db2.gz SPIGGQDOUIPUQF-UHFFFAOYSA-N -2 0 416.524 3.851 20 0 HHADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(C(F)(F)F)c1 ZINC000433523298 979357144 /nfs/dbraw/zinc/35/71/44/979357144.db2.gz AQEDKRBYUMALBJ-UHFFFAOYSA-N -2 0 419.377 3.697 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cnn1-c1ccccc1 ZINC000435138668 980669755 /nfs/dbraw/zinc/66/97/55/980669755.db2.gz UFJCAVUXBWKWOM-UHFFFAOYSA-N -2 0 411.483 3.559 20 0 HHADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Br)c1C ZINC000435717533 980999702 /nfs/dbraw/zinc/99/97/02/980999702.db2.gz OMQRXCATGKJSCE-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000435719231 981000676 /nfs/dbraw/zinc/00/06/76/981000676.db2.gz JYBBCVCYTYXMMR-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cnn1C1CCCC1 ZINC000435733761 981008240 /nfs/dbraw/zinc/00/82/40/981008240.db2.gz WSUQMKIHDRHQIZ-UHFFFAOYSA-N -2 0 403.504 3.684 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c(Cl)cc1C(=O)[O-] ZINC000436181338 981238213 /nfs/dbraw/zinc/23/82/13/981238213.db2.gz RTEOAUGXAQHRDF-UHFFFAOYSA-N -2 0 405.806 3.959 20 0 HHADRL O=C(Nc1cccc(Cl)c1[O-])c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC000436600443 981468066 /nfs/dbraw/zinc/46/80/66/981468066.db2.gz FEMZKQSRXVWBPG-UHFFFAOYSA-N -2 0 424.887 3.866 20 0 HHADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436673410 981504611 /nfs/dbraw/zinc/50/46/11/981504611.db2.gz KKXMVCVRVSPHME-UHFFFAOYSA-N -2 0 404.451 3.559 20 0 HHADRL Cc1cccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)c1 ZINC000436713386 981526015 /nfs/dbraw/zinc/52/60/15/981526015.db2.gz FAXAVLPFIOOFSU-UHFFFAOYSA-N -2 0 416.524 3.535 20 0 HHADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 ZINC000436816831 981574465 /nfs/dbraw/zinc/57/44/65/981574465.db2.gz PTSRCOICCTWDDG-UHFFFAOYSA-N -2 0 416.455 3.978 20 0 HHADRL Cc1cncc(-c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3[O-])n2)c1 ZINC000436892242 981603409 /nfs/dbraw/zinc/60/34/09/981603409.db2.gz JGFQBUIFHVQZDL-UHFFFAOYSA-N -2 0 414.468 3.675 20 0 HHADRL COc1cc(NC(=O)c2c([O-])cccc2F)ccc1NC(=O)c1c([O-])cccc1F ZINC000436980644 981664362 /nfs/dbraw/zinc/66/43/62/981664362.db2.gz QTSUWLFBZPMUNS-UHFFFAOYSA-N -2 0 414.364 3.889 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000448549892 981874436 /nfs/dbraw/zinc/87/44/36/981874436.db2.gz KHOWHYBLUQQFCR-UHFFFAOYSA-N -2 0 412.773 3.559 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)c(F)c1 ZINC000438805520 983081977 /nfs/dbraw/zinc/08/19/77/983081977.db2.gz MWOTWSAQDFLNPA-UHFFFAOYSA-N -2 0 421.475 3.535 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(OCc2ccccc2)c1 ZINC000438820023 983093585 /nfs/dbraw/zinc/09/35/85/983093585.db2.gz NWPRGHDYMUTECC-UHFFFAOYSA-N -2 0 417.439 3.675 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000439625197 983475686 /nfs/dbraw/zinc/47/56/86/983475686.db2.gz QEZYLSKPCSZSOC-UHFFFAOYSA-N -2 0 408.284 3.903 20 0 HHADRL CC(C)c1nc(/C=C\c2ccc(OCC(=O)[O-])c(Br)c2)ncc1C(=O)[O-] ZINC000463050513 986008902 /nfs/dbraw/zinc/00/89/02/986008902.db2.gz XIGXWAAINCTKMV-XQRVVYSFSA-N -2 0 421.247 3.695 20 0 HHADRL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000468365941 986063973 /nfs/dbraw/zinc/06/39/73/986063973.db2.gz AWISDRWAMUCFMX-LBPRGKRZSA-N -2 0 413.879 3.561 20 0 HHADRL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000468368681 986068410 /nfs/dbraw/zinc/06/84/10/986068410.db2.gz VVLQVYZMLMLBHV-NSHDSACASA-N -2 0 413.879 3.561 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(OCC3CCCCC3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468772521 986484945 /nfs/dbraw/zinc/48/49/45/986484945.db2.gz AXKHURKBPNOYRB-UHFFFAOYSA-N -2 0 408.458 3.956 20 0 HHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1)C(=O)[O-] ZINC000463782692 986773317 /nfs/dbraw/zinc/77/33/17/986773317.db2.gz NWGNCFRXOQJIFW-GFCCVEGCSA-N -2 0 402.394 3.555 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000463791026 986782515 /nfs/dbraw/zinc/78/25/15/986782515.db2.gz VRJSHFKTQVOUCA-UHFFFAOYSA-N -2 0 405.856 3.709 20 0 HHADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)c1 ZINC000464425606 988597041 /nfs/dbraw/zinc/59/70/41/988597041.db2.gz HYWIJPHZIXFTSZ-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000464840786 989086405 /nfs/dbraw/zinc/08/64/05/989086405.db2.gz ALHZDKIICUWKAY-UHFFFAOYSA-N -2 0 417.405 3.618 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)cc(C(=O)[O-])c1C ZINC000471109003 989210387 /nfs/dbraw/zinc/21/03/87/989210387.db2.gz BFYJYRMLQYHAKB-UHFFFAOYSA-N -2 0 421.368 3.883 20 0 HHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000471579993 989783051 /nfs/dbraw/zinc/78/30/51/989783051.db2.gz DHLQNNQAYDLFOU-INIZCTEOSA-N -2 0 413.499 3.619 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)cs1 ZINC000466282521 991529048 /nfs/dbraw/zinc/52/90/48/991529048.db2.gz FEGOUOHTHSBLAT-UHFFFAOYSA-N -2 0 414.464 3.979 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000467758074 993002334 /nfs/dbraw/zinc/00/23/34/993002334.db2.gz JWPZJALXBNOPHW-UHFFFAOYSA-N -2 0 424.818 3.586 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000467758137 993003263 /nfs/dbraw/zinc/00/32/63/993003263.db2.gz NATVVTZFXJJJDQ-UHFFFAOYSA-N -3 0 417.395 3.578 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1OCC(F)(F)F ZINC000467776610 993016010 /nfs/dbraw/zinc/01/60/10/993016010.db2.gz IYMWZFJOCOSSAS-UHFFFAOYSA-N -2 0 413.757 3.682 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000481595558 994443058 /nfs/dbraw/zinc/44/30/58/994443058.db2.gz HUQWLUXEPLBGRB-UHFFFAOYSA-N -2 0 410.498 3.688 20 0 HHADRL CCc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)cn2)c1 ZINC000481970976 994861364 /nfs/dbraw/zinc/86/13/64/994861364.db2.gz JEKYURPYJIHJMI-UHFFFAOYSA-N -2 0 412.467 3.864 20 0 HHADRL Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)n[nH]2)cc1C ZINC000483633454 996298289 /nfs/dbraw/zinc/29/82/89/996298289.db2.gz JOJZTFURVAUNLT-UHFFFAOYSA-N -2 0 413.499 3.820 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3csc(C(F)(F)F)n3)cc2)c[nH]1 ZINC000475832191 996400771 /nfs/dbraw/zinc/40/07/71/996400771.db2.gz LRWNHBMDXGFDEZ-UHFFFAOYSA-N -2 0 417.390 3.656 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])sc1C ZINC000484559011 996892561 /nfs/dbraw/zinc/89/25/61/996892561.db2.gz SORUDQFJACMUQP-UHFFFAOYSA-N -2 0 404.307 3.935 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)cc1C(=O)[O-] ZINC000484811934 997167934 /nfs/dbraw/zinc/16/79/34/997167934.db2.gz KFJXAUMIDFSTHZ-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000484949780 997327318 /nfs/dbraw/zinc/32/73/18/997327318.db2.gz CGUXBIACASIELD-UHFFFAOYSA-N -2 0 421.450 3.654 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000484986927 997349266 /nfs/dbraw/zinc/34/92/66/997349266.db2.gz LFSBDHZEVKJKOC-UHFFFAOYSA-N -2 0 415.467 3.675 20 0 HHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000486087736 998534594 /nfs/dbraw/zinc/53/45/94/998534594.db2.gz NMRVJAKQHYCMBN-UHFFFAOYSA-N -2 0 417.462 3.942 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000479203469 999324805 /nfs/dbraw/zinc/32/48/05/999324805.db2.gz HYFOQVIWXCTUTH-UHFFFAOYSA-N -2 0 421.368 3.828 20 0 HHADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)s1 ZINC000489019186 999673656 /nfs/dbraw/zinc/67/36/56/999673656.db2.gz UQDYOKDDJQYNAF-UHFFFAOYSA-N -2 0 418.924 3.712 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccc(Cl)cc1 ZINC000480242121 999754462 /nfs/dbraw/zinc/75/44/62/999754462.db2.gz RARSYBUFIDKIJU-UHFFFAOYSA-N -2 0 423.853 3.726 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000480251016 999756473 /nfs/dbraw/zinc/75/64/73/999756473.db2.gz SAISHZWDJDUVRB-UHFFFAOYSA-N -2 0 411.892 3.649 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)c(Cl)c1 ZINC000489697436 999819525 /nfs/dbraw/zinc/81/95/25/999819525.db2.gz QSGHQLQYRDOIPZ-OAHLLOKOSA-N -2 0 421.862 3.567 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(OCC(F)(F)F)c1 ZINC000489740101 999828718 /nfs/dbraw/zinc/82/87/18/999828718.db2.gz GNKWZQYRWPGXAP-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)c(Cl)c1 ZINC000489744852 999829504 /nfs/dbraw/zinc/82/95/04/999829504.db2.gz MLWZYINJHYQKTA-UHFFFAOYSA-N -2 0 422.890 3.511 20 0 HHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000491550386 1000083006 /nfs/dbraw/zinc/08/30/06/1000083006.db2.gz YBZGGQZUKNOGJU-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1OC ZINC000504537047 1000256559 /nfs/dbraw/zinc/25/65/59/1000256559.db2.gz YBHRJWPAQPDKMU-UHFFFAOYSA-N -2 0 413.451 3.870 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000504665671 1000315766 /nfs/dbraw/zinc/31/57/66/1000315766.db2.gz JSPHRTPBHBKTKU-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)c(C(=O)[O-])c1 ZINC000504666226 1000316272 /nfs/dbraw/zinc/31/62/72/1000316272.db2.gz QHBHBZIUXVRSJB-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c(C(=O)[O-])c1 ZINC000504666176 1000316487 /nfs/dbraw/zinc/31/64/87/1000316487.db2.gz PJJNPWWNZWRLHL-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000505128612 1000565094 /nfs/dbraw/zinc/56/50/94/1000565094.db2.gz KAQNIOQHVAYIGL-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c(Cl)cc1C(=O)[O-] ZINC000506994868 1001753757 /nfs/dbraw/zinc/75/37/57/1001753757.db2.gz MTRPFGKILZEXEJ-UHFFFAOYSA-N -2 0 406.847 3.704 20 0 HHADRL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507581385 1002185938 /nfs/dbraw/zinc/18/59/38/1002185938.db2.gz JDPASMYTAWECTI-LBPRGKRZSA-N -2 0 413.879 3.561 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000507980818 1002510493 /nfs/dbraw/zinc/51/04/93/1002510493.db2.gz USYCUCUQIQVTOU-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000499501784 1002890603 /nfs/dbraw/zinc/89/06/03/1002890603.db2.gz AVYQLQRMWABQKP-UHFFFAOYSA-N -2 0 423.853 3.781 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cncc(F)c2)ccc1C ZINC000509375714 1003804050 /nfs/dbraw/zinc/80/40/50/1003804050.db2.gz LUOHRZYIGVHABS-UHFFFAOYSA-N -2 0 416.430 3.704 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Br)c2cccnc12 ZINC000509377845 1003807942 /nfs/dbraw/zinc/80/79/42/1003807942.db2.gz IGDHBDNTGDPNKL-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000509628978 1003991286 /nfs/dbraw/zinc/99/12/86/1003991286.db2.gz PBYPTADKDHNUKX-UHFFFAOYSA-N -2 0 422.846 3.968 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)c1 ZINC000512721121 1004517745 /nfs/dbraw/zinc/51/77/45/1004517745.db2.gz RNKRMWHTPVNYTD-UHFFFAOYSA-N -2 0 423.462 3.517 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000512767544 1004548012 /nfs/dbraw/zinc/54/80/12/1004548012.db2.gz RZAZSPOWFZEQFZ-UHFFFAOYSA-N -2 0 406.357 3.607 20 0 HHADRL CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc2s1 ZINC000513816880 1005141783 /nfs/dbraw/zinc/14/17/83/1005141783.db2.gz WEPISLORLXWFFX-UHFFFAOYSA-N -2 0 411.482 3.639 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]2)cc1C(=O)[O-] ZINC000504268396 1005586117 /nfs/dbraw/zinc/58/61/17/1005586117.db2.gz UWFYOKKDRKKZFV-UHFFFAOYSA-N -2 0 410.455 3.550 20 0 HHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)N(C)C ZINC000515697638 1006596549 /nfs/dbraw/zinc/59/65/49/1006596549.db2.gz LDHDDZHHJKWNGZ-UHFFFAOYSA-N -2 0 424.906 3.664 20 0 HHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000534686698 1006667405 /nfs/dbraw/zinc/66/74/05/1006667405.db2.gz BOCMPWRZLMIVLK-UHFFFAOYSA-N -2 0 403.378 3.793 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3)c2)c(C)c1C(=O)[O-] ZINC000532800225 1007189400 /nfs/dbraw/zinc/18/94/00/1007189400.db2.gz CIKHMJQIOKRVGL-UHFFFAOYSA-N -2 0 419.890 3.701 20 0 HHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000533164848 1007502934 /nfs/dbraw/zinc/50/29/34/1007502934.db2.gz QQFXCDNRTKNYDV-UHFFFAOYSA-N -2 0 403.378 3.912 20 0 HHADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1C ZINC000539397462 1007704526 /nfs/dbraw/zinc/70/45/26/1007704526.db2.gz NEEGWXPOLVFFGF-AWEZNQCLSA-N -2 0 409.508 3.515 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000535988310 1008027592 /nfs/dbraw/zinc/02/75/92/1008027592.db2.gz BLNGUHYAHCMLPR-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000535991462 1008030750 /nfs/dbraw/zinc/03/07/50/1008030750.db2.gz CLOJSDZHIAMECG-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)ccc1C(=O)[O-] ZINC000533786346 1008109025 /nfs/dbraw/zinc/10/90/25/1008109025.db2.gz NVIABPYRMLFFII-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000540039482 1008251257 /nfs/dbraw/zinc/25/12/57/1008251257.db2.gz RXTOXHSVMGBEHI-UHFFFAOYSA-N -2 0 418.283 3.740 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1sc(-c2ccccc2)nc1C ZINC000543164283 1008739869 /nfs/dbraw/zinc/73/98/69/1008739869.db2.gz MGZQLTWXIDGTGT-UHFFFAOYSA-N -2 0 418.496 3.555 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000543649204 1009253627 /nfs/dbraw/zinc/25/36/27/1009253627.db2.gz RYXCURUUKAGPNZ-UHFFFAOYSA-N -2 0 409.876 3.666 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2Nc2ccccc2F)cc1C(=O)[O-] ZINC000543951187 1009550808 /nfs/dbraw/zinc/55/08/08/1009550808.db2.gz ARVHLARWJYJDOZ-UHFFFAOYSA-N -2 0 407.398 3.546 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000546629401 1009639333 /nfs/dbraw/zinc/63/93/33/1009639333.db2.gz CRUBJTBLNNFXGB-UHFFFAOYSA-N -2 0 416.524 3.905 20 0 HHADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(SCCC(=O)[O-])c1 ZINC000547299018 1010243771 /nfs/dbraw/zinc/24/37/71/1010243771.db2.gz XLUHEPPWZHWHLX-UHFFFAOYSA-N -2 0 423.512 3.678 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)C(=O)[O-] ZINC000547611744 1010363755 /nfs/dbraw/zinc/36/37/55/1010363755.db2.gz GVVAXDGKZJYXBO-NSHDSACASA-N -2 0 403.378 3.649 20 0 HHADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000548526657 1010656977 /nfs/dbraw/zinc/65/69/77/1010656977.db2.gz LQKKDIBVHBUMBT-MLGOLLRUSA-N -2 0 417.405 3.865 20 0 HHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3F)ccc12 ZINC000521961787 1010739574 /nfs/dbraw/zinc/73/95/74/1010739574.db2.gz ZLOPOVYZWKVNFN-UHFFFAOYSA-N -2 0 402.325 3.825 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)cc1C(=O)[O-] ZINC000536413416 1011627962 /nfs/dbraw/zinc/62/79/62/1011627962.db2.gz CGWBUTQLMMZYRC-UHFFFAOYSA-N -2 0 401.435 3.538 20 0 HHADRL CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)ccc21 ZINC000536902612 1012163861 /nfs/dbraw/zinc/16/38/61/1012163861.db2.gz YATYLTRIMALIGZ-UHFFFAOYSA-N -2 0 422.890 3.528 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCCC2)cc1 ZINC000523837308 1012527672 /nfs/dbraw/zinc/52/76/72/1012527672.db2.gz DTHGYLSDRSTYJC-UHFFFAOYSA-N -2 0 405.472 3.906 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cnn1-c1ccccc1 ZINC000542092965 1013019330 /nfs/dbraw/zinc/01/93/30/1013019330.db2.gz MJLLLVJZKHUTDS-UHFFFAOYSA-N -2 0 413.499 3.941 20 0 HHADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000729665937 1071780547 /nfs/dbraw/zinc/78/05/47/1071780547.db2.gz MZLSGWZACVSWGI-UHFFFAOYSA-N -2 0 420.270 3.900 20 0 HHADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3C)c2C)o1 ZINC000479406267 1072827254 /nfs/dbraw/zinc/82/72/54/1072827254.db2.gz JTZFKLXJBTUCKW-UHFFFAOYSA-N -2 0 409.851 3.747 20 0 HHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)cc1 ZINC000588622663 1073062488 /nfs/dbraw/zinc/06/24/88/1073062488.db2.gz GMYSPGIXRCVCPW-UHFFFAOYSA-N -2 0 418.496 3.540 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC(=O)c1cccs1 ZINC000591682243 1074485159 /nfs/dbraw/zinc/48/51/59/1074485159.db2.gz JICYFHQFDCRENC-UHFFFAOYSA-N -2 0 422.509 3.869 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCc2cscn2)c1 ZINC000591681715 1074485740 /nfs/dbraw/zinc/48/57/40/1074485740.db2.gz GVDNDIYZMVZTGG-UHFFFAOYSA-N -2 0 410.498 3.591 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c(C)c1CC(=O)[O-] ZINC000542236855 1013195368 /nfs/dbraw/zinc/19/53/68/1013195368.db2.gz GFSDGTLWAIZYOE-LBPRGKRZSA-N -2 0 419.499 3.618 20 0 HHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2)c1 ZINC000007230552 961079463 /nfs/dbraw/zinc/07/94/63/961079463.db2.gz HRLXHGROYWARPQ-UHFFFAOYSA-N -2 0 414.414 3.577 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000013058987 962361930 /nfs/dbraw/zinc/36/19/30/962361930.db2.gz NZHMYIZZCXAAHM-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)c1 ZINC000022608994 963685103 /nfs/dbraw/zinc/68/51/03/963685103.db2.gz QONDYPPHTPXYCF-UHFFFAOYSA-N -2 0 409.769 3.780 20 0 HHADRL CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000055614223 965962289 /nfs/dbraw/zinc/96/22/89/965962289.db2.gz OEJVEYMTOFVPKU-UHFFFAOYSA-N -2 0 419.503 3.839 20 0 HHADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000060707098 966263661 /nfs/dbraw/zinc/26/36/61/966263661.db2.gz TWMSPMCIWOAJCE-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000042791633 966849093 /nfs/dbraw/zinc/84/90/93/966849093.db2.gz AQCYPNMSXOGMTD-UHFFFAOYSA-N -2 0 414.277 3.735 20 0 HHADRL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1C ZINC000063877812 966984198 /nfs/dbraw/zinc/98/41/98/966984198.db2.gz RUZWHVPPDSYCRW-UHFFFAOYSA-N -2 0 414.842 3.553 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1OCC ZINC000063877356 966984414 /nfs/dbraw/zinc/98/44/14/966984414.db2.gz MLPURCZOXUPBAK-UHFFFAOYSA-N -2 0 417.842 3.776 20 0 HHADRL CCC(CC)(CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000064611636 967249710 /nfs/dbraw/zinc/24/97/10/967249710.db2.gz BQPCBNBGHOHGOY-UHFFFAOYSA-N -2 0 404.488 3.707 20 0 HHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542861727 1013716551 /nfs/dbraw/zinc/71/65/51/1013716551.db2.gz UOQWXDIOSWQNDC-UHFFFAOYSA-N -2 0 416.268 3.796 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c(Br)c1 ZINC000097393660 969131769 /nfs/dbraw/zinc/13/17/69/969131769.db2.gz RBTFPIDWABFHJG-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000109663366 969544748 /nfs/dbraw/zinc/54/47/48/969544748.db2.gz KTHAUFJAFRWABJ-UHFFFAOYSA-N -2 0 423.516 3.655 20 0 HHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000317730479 972657931 /nfs/dbraw/zinc/65/79/31/972657931.db2.gz LEMPGROSSFQADW-SECBINFHSA-N -2 0 404.307 3.890 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)cc2F)ccc1Cl ZINC000318645448 972665201 /nfs/dbraw/zinc/66/52/01/972665201.db2.gz SACZFQMIASJQLJ-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000318916817 972667919 /nfs/dbraw/zinc/66/79/19/972667919.db2.gz UHIHOTOJAZDVNX-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)cc1Cl ZINC000322705977 972702260 /nfs/dbraw/zinc/70/22/60/972702260.db2.gz NBRAEMZPHKGLDC-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1F ZINC000323891480 972716894 /nfs/dbraw/zinc/71/68/94/972716894.db2.gz WTGACMSOAIVFKE-UHFFFAOYSA-N -2 0 414.252 3.576 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1Cl ZINC000327877225 972763572 /nfs/dbraw/zinc/76/35/72/972763572.db2.gz YRDLPGFAOHXASR-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1Br ZINC000390509782 972823820 /nfs/dbraw/zinc/82/38/20/972823820.db2.gz QZFZCKMCTJGIKW-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cccc1C(=O)[O-] ZINC000410405286 974005589 /nfs/dbraw/zinc/00/55/89/974005589.db2.gz XRPPSFKDDVNBMF-UHFFFAOYSA-N -2 0 419.377 3.713 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CCCCC2)c1 ZINC000425988788 974100730 /nfs/dbraw/zinc/10/07/30/974100730.db2.gz HMXSHMDITZLJDW-UHFFFAOYSA-N -2 0 406.460 3.606 20 0 HHADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000430978648 977924724 /nfs/dbraw/zinc/92/47/24/977924724.db2.gz QBIQAXMKUVPVFW-UHFFFAOYSA-N -2 0 409.435 3.526 20 0 HHADRL CCCCn1nccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC000436713355 981526302 /nfs/dbraw/zinc/52/63/02/981526302.db2.gz JCMQFWRBMCNBEB-UHFFFAOYSA-N -2 0 420.516 3.503 20 0 HHADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3O)c2)cs1 ZINC000436720243 981530206 /nfs/dbraw/zinc/53/02/06/981530206.db2.gz ISAOWOOYISBCHR-UHFFFAOYSA-N -2 0 404.469 3.632 20 0 HHADRL CN(C(=O)c1c([O-])cccc1F)[C@@H]1CCCC[C@H]1N(C)C(=O)c1c([O-])cccc1F ZINC000436904759 981611048 /nfs/dbraw/zinc/61/10/48/981611048.db2.gz ZWULJEJMQHPTNB-HZPDHXFCSA-N -2 0 418.440 3.531 20 0 HHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cs1 ZINC000437674718 982288689 /nfs/dbraw/zinc/28/86/89/982288689.db2.gz NNZRQZZSNCESHC-UHFFFAOYSA-N -2 0 422.459 3.522 20 0 HHADRL Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)s1 ZINC000437677887 982291936 /nfs/dbraw/zinc/29/19/36/982291936.db2.gz NEUXIGUREHQRDA-UHFFFAOYSA-N -2 0 422.459 3.522 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)c(F)c1 ZINC000438750649 983044461 /nfs/dbraw/zinc/04/44/61/983044461.db2.gz ACYPVLQKQBKCIW-ZDUSSCGKSA-N -2 0 418.446 3.620 20 0 HHADRL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000438760501 983052112 /nfs/dbraw/zinc/05/21/12/983052112.db2.gz WNDLIEOEMNXBAY-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000440292486 983708899 /nfs/dbraw/zinc/70/88/99/983708899.db2.gz CBVSVBILOVBEJF-UHFFFAOYSA-N -2 0 420.878 3.678 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cnn1CCC(C)C ZINC000440828333 983926297 /nfs/dbraw/zinc/92/62/97/983926297.db2.gz BPUUBAAPRPZNJM-UHFFFAOYSA-N -2 0 405.520 3.615 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000462098621 985069220 /nfs/dbraw/zinc/06/92/20/985069220.db2.gz DHEWFRWKPMLMOB-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462107102 985077930 /nfs/dbraw/zinc/07/79/30/985077930.db2.gz XQWPETNIBCNBHC-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1OCCC(F)(F)F ZINC000443527576 985698680 /nfs/dbraw/zinc/69/86/80/985698680.db2.gz HHAHEEVUEXOCIG-UHFFFAOYSA-N -2 0 421.368 3.964 20 0 HHADRL COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000468358070 986055940 /nfs/dbraw/zinc/05/59/40/986055940.db2.gz HRVYJYOHXSYNGL-NSHDSACASA-N -2 0 413.879 3.561 20 0 HHADRL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000468383522 986084002 /nfs/dbraw/zinc/08/40/02/986084002.db2.gz JSGOKYBAACSYNA-GFCCVEGCSA-N -2 0 413.879 3.561 20 0 HHADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000463377624 986343799 /nfs/dbraw/zinc/34/37/99/986343799.db2.gz UITZIMMOFGUDDP-UHFFFAOYSA-N -2 0 424.194 3.674 20 0 HHADRL COc1ccc(N(Cc2ccccc2)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000468849172 986560080 /nfs/dbraw/zinc/56/00/80/986560080.db2.gz DUHOBOAWXFPINV-UHFFFAOYSA-N -2 0 416.437 3.600 20 0 HHADRL Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469141101 986861619 /nfs/dbraw/zinc/86/16/19/986861619.db2.gz BRHOGFGWBCHDRX-UHFFFAOYSA-N -2 0 419.466 3.609 20 0 HHADRL Cc1cccc(CS(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)c1 ZINC000464418416 988589965 /nfs/dbraw/zinc/58/99/65/988589965.db2.gz BGOMPHSNDUQGDP-UHFFFAOYSA-N -2 0 416.524 3.738 20 0 HHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000471603525 989806822 /nfs/dbraw/zinc/80/68/22/989806822.db2.gz TWAVBWNCTWEVGQ-UHFFFAOYSA-N -2 0 422.659 3.670 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)cc(Br)c1O ZINC000466278674 991524429 /nfs/dbraw/zinc/52/44/29/991524429.db2.gz FETAELRGHVFVOJ-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC2CCC2)cc1 ZINC000466478262 991770803 /nfs/dbraw/zinc/77/08/03/991770803.db2.gz YJRRDQOGZFITHH-UHFFFAOYSA-N -2 0 409.891 3.947 20 0 HHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)cc1 ZINC000481977575 994872423 /nfs/dbraw/zinc/87/24/23/994872423.db2.gz DZGNMLKJWCQGGH-UHFFFAOYSA-N -2 0 411.479 3.801 20 0 HHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481982216 994879634 /nfs/dbraw/zinc/87/96/34/994879634.db2.gz PICRGSNMKMYMIB-UHFFFAOYSA-N -2 0 403.378 3.532 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)cc1C(=O)[O-] ZINC000476384427 996827291 /nfs/dbraw/zinc/82/72/91/996827291.db2.gz ADRQZYDNXOHWLA-UHFFFAOYSA-N -2 0 417.418 3.561 20 0 HHADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476385641 996830000 /nfs/dbraw/zinc/83/00/00/996830000.db2.gz AIHSBSCQIWIKBH-UHFFFAOYSA-N -2 0 424.906 3.629 20 0 HHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000484956199 997333869 /nfs/dbraw/zinc/33/38/69/997333869.db2.gz JJFJJDHENSDYBI-UHFFFAOYSA-N -2 0 416.268 3.751 20 0 HHADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000477033510 997665769 /nfs/dbraw/zinc/66/57/69/997665769.db2.gz NIXVOQRHQFOHBD-UHFFFAOYSA-N -2 0 422.890 3.676 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(OCC(F)(F)F)c1 ZINC000477408592 998093565 /nfs/dbraw/zinc/09/35/65/998093565.db2.gz YQQYTIXFKNNSFH-UHFFFAOYSA-N -2 0 403.378 3.744 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C(C)C)c1 ZINC000486094766 998542930 /nfs/dbraw/zinc/54/29/30/998542930.db2.gz MSEGEQYRFKYJQH-UHFFFAOYSA-N -2 0 411.499 3.999 20 0 HHADRL Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486096596 998544685 /nfs/dbraw/zinc/54/46/85/998544685.db2.gz PSKKGIAXBJHXFC-UHFFFAOYSA-N -2 0 414.361 3.874 20 0 HHADRL Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C(=O)[O-])cc1C ZINC000478701225 999096183 /nfs/dbraw/zinc/09/61/83/999096183.db2.gz HBFZCEHZRPKOIT-UHFFFAOYSA-N -2 0 417.361 3.519 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cc1C(=O)[O-] ZINC000479240335 999340300 /nfs/dbraw/zinc/34/03/00/999340300.db2.gz HBFOFBZCBNYVGY-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c2cccnc12 ZINC000479555314 999475427 /nfs/dbraw/zinc/47/54/27/999475427.db2.gz DHVFRUYQMWCFIL-UHFFFAOYSA-N -2 0 408.382 3.644 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cnn1-c1ccccc1C ZINC000480194727 999741471 /nfs/dbraw/zinc/74/14/71/999741471.db2.gz IQKHPGZIJBEUKN-UHFFFAOYSA-N -2 0 413.499 3.859 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccc(Cl)cc1 ZINC000480195347 999741662 /nfs/dbraw/zinc/74/16/62/999741662.db2.gz KCDCOLIUOKJSME-UHFFFAOYSA-N -2 0 411.892 3.649 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000480233667 999752381 /nfs/dbraw/zinc/75/23/81/999752381.db2.gz ZLVLHIYZCFBCBP-UHFFFAOYSA-N -2 0 423.853 3.726 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000480244436 999754865 /nfs/dbraw/zinc/75/48/65/999754865.db2.gz GUPVITCKRUJGPV-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)cc1F ZINC000489602926 999800865 /nfs/dbraw/zinc/80/08/65/999800865.db2.gz GXCSDOOZKPKUSA-UHFFFAOYSA-N -2 0 401.415 3.621 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)cc1F ZINC000489695414 999819068 /nfs/dbraw/zinc/81/90/68/999819068.db2.gz CVRIWCBLRSILGX-ZDUSSCGKSA-N -2 0 418.446 3.620 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)c(Cl)c1 ZINC000489718435 999823940 /nfs/dbraw/zinc/82/39/40/999823940.db2.gz QKGOTDZPMYFAGO-UHFFFAOYSA-N -2 0 421.887 3.780 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C(=O)[O-] ZINC000491094022 1000044991 /nfs/dbraw/zinc/04/49/91/1000044991.db2.gz XERMDJGEUSELRD-UHFFFAOYSA-N -2 0 406.847 3.970 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)ccc1F ZINC000491610905 1000090460 /nfs/dbraw/zinc/09/04/60/1000090460.db2.gz VNKTUTGVYQMJGY-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c1 ZINC000504686945 1000325877 /nfs/dbraw/zinc/32/58/77/1000325877.db2.gz LYPMNUCDTWSQSA-CYBMUJFWSA-N -2 0 402.497 3.909 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)(C)C)ccc1OCC(=O)[O-] ZINC000498499836 1001923844 /nfs/dbraw/zinc/92/38/44/1001923844.db2.gz CJCYLAIBUIKXQV-UHFFFAOYSA-N -2 0 411.451 3.576 20 0 HHADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000509377274 1003806587 /nfs/dbraw/zinc/80/65/87/1003806587.db2.gz WLDCLMZRCJHXGV-UHFFFAOYSA-N -2 0 408.785 3.870 20 0 HHADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000509390549 1003820225 /nfs/dbraw/zinc/82/02/25/1003820225.db2.gz XJIOYQCBJKUPQH-UHFFFAOYSA-N -2 0 408.785 3.870 20 0 HHADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3cccs3)c2)c1 ZINC000509567000 1003949110 /nfs/dbraw/zinc/94/91/10/1003949110.db2.gz HPOLAERQMQDHRS-UHFFFAOYSA-N -2 0 403.437 3.612 20 0 HHADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000509613423 1003981023 /nfs/dbraw/zinc/98/10/23/1003981023.db2.gz LROQQVAYCBWPAD-UHFFFAOYSA-N -2 0 411.451 3.657 20 0 HHADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512734809 1004525962 /nfs/dbraw/zinc/52/59/62/1004525962.db2.gz UETCFQYTANKQOG-UHFFFAOYSA-N -2 0 406.485 3.729 20 0 HHADRL COc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512742174 1004532130 /nfs/dbraw/zinc/53/21/30/1004532130.db2.gz IETWSRNJTOXMMA-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000511127528 1005033326 /nfs/dbraw/zinc/03/33/26/1005033326.db2.gz UGIDLXOVMTZRFE-UHFFFAOYSA-N -2 0 405.472 3.500 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1C(=O)[O-] ZINC000504240724 1005580544 /nfs/dbraw/zinc/58/05/44/1005580544.db2.gz FZLBYKYNWHFLPM-UHFFFAOYSA-N -2 0 401.444 3.539 20 0 HHADRL CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000504252189 1005582639 /nfs/dbraw/zinc/58/26/39/1005582639.db2.gz HLEBMGWILPNZNQ-UHFFFAOYSA-N -2 0 419.425 3.848 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cccc1C(=O)[O-] ZINC000534498166 1006496405 /nfs/dbraw/zinc/49/64/05/1006496405.db2.gz ROJLVFHQWJPASM-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c1 ZINC000515626427 1006565224 /nfs/dbraw/zinc/56/52/24/1006565224.db2.gz GOLUDBLHKINRIB-UHFFFAOYSA-N -3 0 413.407 3.676 20 0 HHADRL O=C([O-])C[C@@H]1CCCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000532678236 1007091020 /nfs/dbraw/zinc/09/10/20/1007091020.db2.gz AVBDFNSLCBMGKG-NSHDSACASA-N -2 0 422.890 3.686 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1-c1cc(C)ccc1C ZINC000533464323 1007774917 /nfs/dbraw/zinc/77/49/17/1007774917.db2.gz AASVMWXWCIRFFX-UHFFFAOYSA-N -2 0 413.499 3.616 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c(Cl)c1 ZINC000540214179 1008338978 /nfs/dbraw/zinc/33/89/78/1008338978.db2.gz YEWFQOAENFJFNE-UHFFFAOYSA-N -2 0 409.769 3.622 20 0 HHADRL CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000520141035 1009292735 /nfs/dbraw/zinc/29/27/35/1009292735.db2.gz QRIVHKIHLMYHBX-UHFFFAOYSA-N -2 0 419.908 3.624 20 0 HHADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000548197104 1010559370 /nfs/dbraw/zinc/55/93/70/1010559370.db2.gz RXMWMIYJXBOBRP-UHFFFAOYSA-N -2 0 424.906 3.711 20 0 HHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000522398620 1010981179 /nfs/dbraw/zinc/98/11/79/1010981179.db2.gz FADYQQLIWYCONK-UHFFFAOYSA-N -2 0 407.488 3.747 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000523124383 1011590873 /nfs/dbraw/zinc/59/08/73/1011590873.db2.gz JUHZEKVPZPPKJF-UHFFFAOYSA-N -2 0 421.418 3.691 20 0 HHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000541802481 1012681657 /nfs/dbraw/zinc/68/16/57/1012681657.db2.gz IPHMQZRKHDNVKS-LBPRGKRZSA-N -2 0 412.305 3.822 20 0 HHADRL CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000541807228 1012691287 /nfs/dbraw/zinc/69/12/87/1012691287.db2.gz GPOBZJHLHXZUSM-UHFFFAOYSA-N -2 0 421.515 3.828 20 0 HHADRL CN(C(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1)c1ccccc1 ZINC000614861917 1071788130 /nfs/dbraw/zinc/78/81/30/1071788130.db2.gz FMFVUXAUMPCZLM-UHFFFAOYSA-N -2 0 416.480 3.524 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OCc3cccc(F)c3)c2)cs1 ZINC000614865722 1071829081 /nfs/dbraw/zinc/82/90/81/1071829081.db2.gz MRCQVZGMVUSDQS-UHFFFAOYSA-N -2 0 407.444 3.965 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccs2)cs1 ZINC000588077903 1072783723 /nfs/dbraw/zinc/78/37/23/1072783723.db2.gz LBFICDJBZZQIOQ-UHFFFAOYSA-N -2 0 408.482 3.561 20 0 HHADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479403691 1072795587 /nfs/dbraw/zinc/79/55/87/1072795587.db2.gz CBTYGXAZDACCPV-UHFFFAOYSA-N -2 0 418.254 3.807 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)cc1C(=O)[O-] ZINC000588624608 1073064658 /nfs/dbraw/zinc/06/46/58/1073064658.db2.gz KOYHIDWLMVRRKQ-UHFFFAOYSA-N -2 0 418.496 3.838 20 0 HHADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Oc2ccccc2)cc1 ZINC000589938692 1073424342 /nfs/dbraw/zinc/42/43/42/1073424342.db2.gz BPXGVTVGWSTMCN-UHFFFAOYSA-N -2 0 417.414 3.882 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1C(F)(F)F ZINC000555422305 1073444767 /nfs/dbraw/zinc/44/47/67/1073444767.db2.gz SWBXBFXDMTXLRL-UHFFFAOYSA-N -2 0 411.304 3.806 20 0 HHADRL COc1ccc(Sc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2)cc1 ZINC000590469753 1073822673 /nfs/dbraw/zinc/82/26/73/1073822673.db2.gz GKLTXTWGPMHCMK-UHFFFAOYSA-N -2 0 418.496 3.684 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)c1C ZINC000591682763 1074486216 /nfs/dbraw/zinc/48/62/16/1074486216.db2.gz IOSBAUWUICORRV-UHFFFAOYSA-N -2 0 412.467 3.776 20 0 HHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)c1 ZINC000591797203 1074546233 /nfs/dbraw/zinc/54/62/33/1074546233.db2.gz OANHFBHGDPUYCF-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2OC)cc1C(=O)[O-] ZINC000524320530 1013138897 /nfs/dbraw/zinc/13/88/97/1013138897.db2.gz YFRYDTDPTYUDAF-UHFFFAOYSA-N -2 0 422.484 3.511 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cc1ccccc1 ZINC000013239898 962378765 /nfs/dbraw/zinc/37/87/65/962378765.db2.gz DJMKYXODURDPPV-UHFFFAOYSA-N -2 0 403.481 3.847 20 0 HHADRL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000013264874 962381148 /nfs/dbraw/zinc/38/11/48/962381148.db2.gz BGQSEEHMSXRMMG-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL CSc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013345888 962388375 /nfs/dbraw/zinc/38/83/75/962388375.db2.gz ICLOWMDJMINWGO-UHFFFAOYSA-N -2 0 402.291 3.670 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(SC)sc2c1 ZINC000013359278 962389848 /nfs/dbraw/zinc/38/98/48/962389848.db2.gz QGHAVJYLRRPENX-UHFFFAOYSA-N -2 0 410.498 3.526 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)cc1 ZINC000025253081 964219633 /nfs/dbraw/zinc/21/96/33/964219633.db2.gz PTQFLXHSCNAHKQ-UHFFFAOYSA-N -2 0 409.769 3.780 20 0 HHADRL O=C([O-])[C@H](CC(=O)N[N-]C(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000054500460 965544060 /nfs/dbraw/zinc/54/40/60/965544060.db2.gz WJVIRTLJIPFQOO-CYBMUJFWSA-N -2 0 402.859 3.574 20 0 HHADRL O=C([O-])c1cccc(Cc2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[n-]2)c1 ZINC000054755209 965632959 /nfs/dbraw/zinc/63/29/59/965632959.db2.gz XMJKQIREMRJMFE-UHFFFAOYSA-N -2 0 406.419 3.669 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c2n[nH]cc21 ZINC000058494597 965754783 /nfs/dbraw/zinc/75/47/83/965754783.db2.gz NESDENKCGVOCHB-UHFFFAOYSA-N -2 0 400.243 3.677 20 0 HHADRL O=C([O-])c1ccc(Oc2ccccc2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000060376640 966120868 /nfs/dbraw/zinc/12/08/68/966120868.db2.gz RVABNBFZJBWSIQ-UHFFFAOYSA-N -2 0 414.395 3.886 20 0 HHADRL CCOc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)c(C(=O)[O-])cc1OCC ZINC000542727161 1013639089 /nfs/dbraw/zinc/63/90/89/1013639089.db2.gz FTPVODDPUHTQQC-UHFFFAOYSA-N -2 0 405.428 3.729 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c(Br)s1 ZINC000037045530 966470681 /nfs/dbraw/zinc/47/06/81/966470681.db2.gz DUCDSZXKLYALBP-UHFFFAOYSA-N -2 0 414.661 3.802 20 0 HHADRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877874 966984479 /nfs/dbraw/zinc/98/44/79/966984479.db2.gz GNRYGKYDONGTQI-UHFFFAOYSA-N -2 0 412.826 3.637 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)sc1C(=O)[O-] ZINC000126545408 969971854 /nfs/dbraw/zinc/97/18/54/969971854.db2.gz OZXCYQSDYAWSDM-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCCC2)cc1 ZINC000554700963 1014019570 /nfs/dbraw/zinc/01/95/70/1014019570.db2.gz ATZLIRNQYRYHMY-UHFFFAOYSA-N -2 0 419.499 3.835 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000318996154 972668289 /nfs/dbraw/zinc/66/82/89/972668289.db2.gz LSPWZRHRAMHDIQ-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc(C)c1Br ZINC000391511525 972841057 /nfs/dbraw/zinc/84/10/57/972841057.db2.gz OAUVHIRSVDAGSP-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL COc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000391791655 972844353 /nfs/dbraw/zinc/84/43/53/972844353.db2.gz BEIWRJBNRXOFDW-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000391703732 972844472 /nfs/dbraw/zinc/84/44/72/972844472.db2.gz DODCZJJWLVURSU-UHFFFAOYSA-N -2 0 416.268 3.958 20 0 HHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC000392413542 972852642 /nfs/dbraw/zinc/85/26/42/972852642.db2.gz SWPMUWWGVOTPLG-JTQLQIEISA-N -2 0 416.268 3.967 20 0 HHADRL Cc1cscc1[N-]S(=O)(=O)c1cc(Br)c(Cl)c(C(=O)[O-])c1 ZINC000395721173 972868611 /nfs/dbraw/zinc/86/86/11/972868611.db2.gz LCKWARYSJJMGTR-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000410047604 973529721 /nfs/dbraw/zinc/52/97/21/973529721.db2.gz POQGMIFIDNTEFK-UHFFFAOYSA-N -2 0 404.469 3.626 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2Br)cccc1C(=O)[O-] ZINC000410371167 973966573 /nfs/dbraw/zinc/96/65/73/973966573.db2.gz JMCDMDUIFAODJC-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccccc2-c2ccno2)cccc1C(=O)[O-] ZINC000410398154 973997103 /nfs/dbraw/zinc/99/71/03/973997103.db2.gz OHLPCWLXZYKBPC-UHFFFAOYSA-N -2 0 402.428 3.628 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cccc1C(=O)[O-] ZINC000410399390 973999277 /nfs/dbraw/zinc/99/92/77/973999277.db2.gz DVWGFUFSMJCMBK-UHFFFAOYSA-N -2 0 404.419 3.660 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cccc(Br)c2)cccc1C(=O)[O-] ZINC000410404691 974004845 /nfs/dbraw/zinc/00/48/45/974004845.db2.gz VYBQIXQVSFGVST-UHFFFAOYSA-N -2 0 414.277 3.735 20 0 HHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cc4ccccc4s3)[nH]n2)cc1 ZINC000432486732 978842510 /nfs/dbraw/zinc/84/25/10/978842510.db2.gz XWVDNLUALSRMAI-UHFFFAOYSA-N -2 0 413.480 3.719 20 0 HHADRL CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)C(C)C ZINC000433609805 979423560 /nfs/dbraw/zinc/42/35/60/979423560.db2.gz WRYBQMXXBKMIJF-UHFFFAOYSA-N -2 0 418.515 3.755 20 0 HHADRL CC(C)Oc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000433618475 979429246 /nfs/dbraw/zinc/42/92/46/979429246.db2.gz SMFTYKDXWBODBL-UHFFFAOYSA-N -2 0 420.306 3.797 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c1 ZINC000436722150 981531112 /nfs/dbraw/zinc/53/11/12/981531112.db2.gz LOLYNTVCOSRLFK-UHFFFAOYSA-N -2 0 417.439 3.509 20 0 HHADRL Cc1ccnc(-c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3[O-])n2)c1 ZINC000436891192 981603056 /nfs/dbraw/zinc/60/30/56/981603056.db2.gz ICTXYQYFROLYJA-UHFFFAOYSA-N -2 0 414.468 3.675 20 0 HHADRL CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000437005054 981681382 /nfs/dbraw/zinc/68/13/82/981681382.db2.gz RJISYRDEXKZJRI-UHFFFAOYSA-N -2 0 407.488 3.905 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1-c1ccc(C)s1 ZINC000437655482 982272979 /nfs/dbraw/zinc/27/29/79/982272979.db2.gz NPFRYAILDDGESO-UHFFFAOYSA-N -2 0 404.469 3.626 20 0 HHADRL COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438755714 983048448 /nfs/dbraw/zinc/04/84/48/983048448.db2.gz NNGHPUJSMLXEEY-UHFFFAOYSA-N -2 0 411.863 3.749 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000438761576 983052695 /nfs/dbraw/zinc/05/26/95/983052695.db2.gz BNOXYONCLZPAGT-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)c(F)c1 ZINC000438786888 983070289 /nfs/dbraw/zinc/07/02/89/983070289.db2.gz UUIUWBGGJQMJTJ-UHFFFAOYSA-N -2 0 411.414 3.664 20 0 HHADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)O[C@H](C)C2 ZINC000438803781 983080647 /nfs/dbraw/zinc/08/06/47/983080647.db2.gz GLEMSGWDCWCUTF-SNVBAGLBSA-N -2 0 411.863 3.561 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c(F)c1 ZINC000438806985 983083203 /nfs/dbraw/zinc/08/32/03/983083203.db2.gz GMILSKKQMWDUAT-UHFFFAOYSA-N -2 0 401.415 3.904 20 0 HHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000462080207 985051871 /nfs/dbraw/zinc/05/18/71/985051871.db2.gz KIQCMFUCMAAUNL-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000462102044 985072577 /nfs/dbraw/zinc/07/25/77/985072577.db2.gz NJKREGXLXKSNJO-UHFFFAOYSA-N -2 0 423.340 3.622 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000462101149 985072642 /nfs/dbraw/zinc/07/26/42/985072642.db2.gz KJWWTLZNMBRTIZ-UHFFFAOYSA-N -2 0 424.269 3.547 20 0 HHADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000463371148 986336949 /nfs/dbraw/zinc/33/69/49/986336949.db2.gz YRLDTFWVGXYWDZ-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c2ncccc12 ZINC000463795749 986786995 /nfs/dbraw/zinc/78/69/95/986786995.db2.gz CXVNLSUPDBSTNZ-UHFFFAOYSA-N -2 0 400.456 3.749 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000469089486 986803041 /nfs/dbraw/zinc/80/30/41/986803041.db2.gz YEWITENYVWXYAM-UHFFFAOYSA-N -2 0 419.352 3.693 20 0 HHADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000470457968 988442221 /nfs/dbraw/zinc/44/22/21/988442221.db2.gz JGCJPMJURYLHKS-UHFFFAOYSA-N -2 0 417.842 3.776 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471125856 989232978 /nfs/dbraw/zinc/23/29/78/989232978.db2.gz UCVFNGQQYWIXFB-UHFFFAOYSA-N -2 0 401.843 3.614 20 0 HHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000471594389 989798324 /nfs/dbraw/zinc/79/83/24/989798324.db2.gz CTQLVZTULYKFKT-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000471986900 990153763 /nfs/dbraw/zinc/15/37/63/990153763.db2.gz ZPYMQOSGHZPTLP-UHFFFAOYSA-N -2 0 412.345 3.632 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC(F)(F)F ZINC000466271366 991516597 /nfs/dbraw/zinc/51/65/97/991516597.db2.gz UNJCXOZXPDXNAK-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000467327914 992649377 /nfs/dbraw/zinc/64/93/77/992649377.db2.gz PDABMUUYIUYNIA-UHFFFAOYSA-N -2 0 423.487 3.772 20 0 HHADRL COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3O)cc2)cc1 ZINC000467759043 993003900 /nfs/dbraw/zinc/00/39/00/993003900.db2.gz LPGFSXRSQVPOHD-UHFFFAOYSA-N -2 0 415.423 3.692 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nc3ccccc3n2C)c1 ZINC000467760852 993004723 /nfs/dbraw/zinc/00/47/23/993004723.db2.gz VBUCJJREZRKEFB-UHFFFAOYSA-N -2 0 411.439 3.641 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000467770898 993011843 /nfs/dbraw/zinc/01/18/43/993011843.db2.gz NOZRKNIUOWIDRX-UHFFFAOYSA-N -2 0 424.450 3.745 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)sc1C(=O)[O-] ZINC000475797527 996377196 /nfs/dbraw/zinc/37/71/96/996377196.db2.gz 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CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476394202 996847410 /nfs/dbraw/zinc/84/74/10/996847410.db2.gz SVBZGKJPXISQHI-UHFFFAOYSA-N -2 0 417.270 3.759 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1C(F)(F)F ZINC000484939851 997315464 /nfs/dbraw/zinc/31/54/64/997315464.db2.gz VVTJWCDDPWWQPM-UHFFFAOYSA-N -2 0 402.375 3.814 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000484956349 997334319 /nfs/dbraw/zinc/33/43/19/997334319.db2.gz WLTKXRXGEDAFHK-UHFFFAOYSA-N -2 0 405.472 3.812 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000484958977 997336859 /nfs/dbraw/zinc/33/68/59/997336859.db2.gz KHRFQQAZDUTWBF-UHFFFAOYSA-N -2 0 409.435 3.562 20 0 HHADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000484967258 997340047 /nfs/dbraw/zinc/34/00/47/997340047.db2.gz FRDHVIUIZGFYRH-UHFFFAOYSA-N -2 0 420.306 3.635 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c(Cl)cc1C(=O)[O-] ZINC000485296653 997700772 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CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)O[C@H](C)C2 ZINC000022244859 963616498 /nfs/dbraw/zinc/61/64/98/963616498.db2.gz IMTKMJWBSDAUEJ-SNVBAGLBSA-N -2 0 411.863 3.561 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC000057115795 965286845 /nfs/dbraw/zinc/28/68/45/965286845.db2.gz WMCPTZINIJLASS-UHFFFAOYSA-N -2 0 413.451 3.915 20 0 HHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000057119206 965289603 /nfs/dbraw/zinc/28/96/03/965289603.db2.gz ASJUNWHFLHPWBK-UHFFFAOYSA-N -2 0 413.879 3.565 20 0 HHADRL Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)o1 ZINC000055591028 965944202 /nfs/dbraw/zinc/94/42/02/965944202.db2.gz ZXVRGZROWNQNNJ-UHFFFAOYSA-N -2 0 401.444 3.667 20 0 HHADRL O=S(=O)([N-]c1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)c1cccs1 ZINC000055620921 965968063 /nfs/dbraw/zinc/96/80/63/965968063.db2.gz HNUHYVMGEMIFRG-UHFFFAOYSA-N -2 0 418.518 3.550 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000055633103 965979162 /nfs/dbraw/zinc/97/91/62/965979162.db2.gz ZASHHYOVAAFGGG-UHFFFAOYSA-N -2 0 417.439 3.504 20 0 HHADRL CN(C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC000055664698 966007577 /nfs/dbraw/zinc/00/75/77/966007577.db2.gz PMYRKVUNPGEWTC-UHFFFAOYSA-N -2 0 416.499 3.590 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cccnc32)c(Br)s1 ZINC000032588910 966288664 /nfs/dbraw/zinc/28/86/64/966288664.db2.gz LOIUXFWDNPDFAJ-UHFFFAOYSA-N -2 0 413.274 3.558 20 0 HHADRL COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000320337569 972679343 /nfs/dbraw/zinc/67/93/43/972679343.db2.gz IKVPYLMMOGLUGA-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000320443977 972682595 /nfs/dbraw/zinc/68/25/95/972682595.db2.gz MRGPGLBCZPMGSZ-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1Br ZINC000323350560 972711572 /nfs/dbraw/zinc/71/15/72/972711572.db2.gz SMDWVLVUAPPRKC-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000326699009 972746664 /nfs/dbraw/zinc/74/66/64/972746664.db2.gz MLHOEGYRTWNORM-UHFFFAOYSA-N -2 0 416.268 3.751 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)ccc1Cl ZINC000327056339 972753091 /nfs/dbraw/zinc/75/30/91/972753091.db2.gz ZVHBEVIZXTZNJC-UHFFFAOYSA-N -3 0 424.645 3.844 20 0 HHADRL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000327451222 972757942 /nfs/dbraw/zinc/75/79/42/972757942.db2.gz IVUMPNVGFSHTPS-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2cc(Br)cnc21 ZINC000327895240 972763996 /nfs/dbraw/zinc/76/39/96/972763996.db2.gz GGJPIRPXJHHVCH-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(F)c(Br)c(Cl)c2)c1 ZINC000384932329 972793485 /nfs/dbraw/zinc/79/34/85/972793485.db2.gz HVPUJEGXQMPVTC-UHFFFAOYSA-N -2 0 414.661 3.802 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Br)c2F)ccc1Cl ZINC000410372199 973967756 /nfs/dbraw/zinc/96/77/56/973967756.db2.gz HTVLPXXILYMDDR-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427342013 975064660 /nfs/dbraw/zinc/06/46/60/975064660.db2.gz KEKZGRYXUQCHCO-UHFFFAOYSA-N -2 0 421.368 3.932 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1-c1ccc(F)cc1 ZINC000432083300 978673555 /nfs/dbraw/zinc/67/35/55/978673555.db2.gz WSRBLLOENLZUPH-UHFFFAOYSA-N -2 0 423.491 3.833 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000432084443 978673570 /nfs/dbraw/zinc/67/35/70/978673570.db2.gz GRNUQYBILYVZCY-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc(Cl)c1Cl ZINC000436006251 981148576 /nfs/dbraw/zinc/14/85/76/981148576.db2.gz IRNNCWKOVCMKNX-UHFFFAOYSA-N -2 0 424.265 3.949 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436027563 981165616 /nfs/dbraw/zinc/16/56/16/981165616.db2.gz MOAMPFIWNZZVNT-UHFFFAOYSA-N -2 0 419.352 3.693 20 0 HHADRL Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000436176101 981235719 /nfs/dbraw/zinc/23/57/19/981235719.db2.gz QCZXGWUDVYJMLL-UHFFFAOYSA-N -2 0 409.261 3.738 20 0 HHADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000436606034 981470332 /nfs/dbraw/zinc/47/03/32/981470332.db2.gz LJZBHZSXPRWKBJ-UHFFFAOYSA-N -2 0 404.419 3.721 20 0 HHADRL Cc1csc(Nc2cccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3O)c2)n1 ZINC000436718945 981529497 /nfs/dbraw/zinc/52/94/97/981529497.db2.gz GEPGUTNPKNFZPW-UHFFFAOYSA-N -2 0 419.484 3.708 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC(F)(F)F)cc1F ZINC000448549767 981874492 /nfs/dbraw/zinc/87/44/92/981874492.db2.gz HNYVGRYUABREPH-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL Cc1ccc(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(SCCC(=O)[O-])c1 ZINC000460449802 982243271 /nfs/dbraw/zinc/24/32/71/982243271.db2.gz QRASBAIVJRVEEA-UHFFFAOYSA-N -2 0 423.512 3.678 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438763309 983055032 /nfs/dbraw/zinc/05/50/32/983055032.db2.gz ZRIBIWKQJGLBEH-UHFFFAOYSA-N -2 0 411.863 3.686 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000440812091 983917093 /nfs/dbraw/zinc/91/70/93/983917093.db2.gz SNTFOROQPIGSMP-UHFFFAOYSA-N -2 0 421.368 3.828 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2OC)cc1C(=O)[O-] ZINC000440833787 983929233 /nfs/dbraw/zinc/92/92/33/983929233.db2.gz PSPCLSXTXJXNGU-UHFFFAOYSA-N -2 0 406.485 3.675 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000441713602 984411028 /nfs/dbraw/zinc/41/10/28/984411028.db2.gz DRAGLYXRFAYSKN-UHFFFAOYSA-N -2 0 417.405 3.618 20 0 HHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000462099208 985070005 /nfs/dbraw/zinc/07/00/05/985070005.db2.gz BNDFGVCMHLAUMC-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL Cc1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468025341 985681286 /nfs/dbraw/zinc/68/12/86/985681286.db2.gz QCVXZTIVDZDIEL-UHFFFAOYSA-N -2 0 419.268 3.856 20 0 HHADRL COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000468350810 986047440 /nfs/dbraw/zinc/04/74/40/986047440.db2.gz RWKCBJSTRSBKPX-LBPRGKRZSA-N -2 0 413.879 3.561 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c2ncccc12 ZINC000463783718 986774410 /nfs/dbraw/zinc/77/44/10/986774410.db2.gz CQMWCERAWMUUIH-UHFFFAOYSA-N -2 0 406.847 3.786 20 0 HHADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000471119607 989224627 /nfs/dbraw/zinc/22/46/27/989224627.db2.gz WZKXIIONDJTXBY-UHFFFAOYSA-N -2 0 415.402 3.565 20 0 HHADRL CCn1nccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccc(Cl)cc1 ZINC000471947622 990111980 /nfs/dbraw/zinc/11/19/80/990111980.db2.gz GQEYZBAFNCNEHS-UHFFFAOYSA-N -2 0 421.862 3.848 20 0 HHADRL CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000471989188 990155305 /nfs/dbraw/zinc/15/53/05/990155305.db2.gz RVEBRVLDPPXQPP-UHFFFAOYSA-N -2 0 416.318 3.978 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1OC ZINC000467327894 992649447 /nfs/dbraw/zinc/64/94/47/992649447.db2.gz ORGFYAGUPDMFOW-UHFFFAOYSA-N -2 0 407.488 3.745 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000467752428 992998190 /nfs/dbraw/zinc/99/81/90/992998190.db2.gz LJARHXMUCBIFIN-UHFFFAOYSA-N -2 0 402.428 3.891 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1C ZINC000467752776 992998356 /nfs/dbraw/zinc/99/83/56/992998356.db2.gz HWCYIRLKGVFLNN-UHFFFAOYSA-N -2 0 401.440 3.974 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000467767100 993009771 /nfs/dbraw/zinc/00/97/71/993009771.db2.gz DBYLWVJNHKUCBQ-UHFFFAOYSA-N -2 0 419.484 3.645 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000481443672 994280262 /nfs/dbraw/zinc/28/02/62/994280262.db2.gz XVESKOWTRKOAPJ-UHFFFAOYSA-N -2 0 418.254 3.807 20 0 HHADRL Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)cn2)c1C ZINC000481951239 994832474 /nfs/dbraw/zinc/83/24/74/994832474.db2.gz PTZFOVZGKVGJSO-UHFFFAOYSA-N -2 0 412.467 3.919 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(SCCC(=O)[O-])c1 ZINC000484496089 996821035 /nfs/dbraw/zinc/82/10/35/996821035.db2.gz DICKSOMDYXBPBU-UHFFFAOYSA-N -2 0 417.455 3.964 20 0 HHADRL Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(SCCC(=O)[O-])c1 ZINC000484497304 996822953 /nfs/dbraw/zinc/82/29/53/996822953.db2.gz FREKXFJIXJXDTQ-UHFFFAOYSA-N -2 0 423.512 3.678 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)o2)c(SCCC(=O)[O-])c1 ZINC000484507829 996836789 /nfs/dbraw/zinc/83/67/89/996836789.db2.gz YBEBMAUBXCWVEP-UHFFFAOYSA-N -2 0 420.306 3.718 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1C(=O)[O-] ZINC000484817336 997175555 /nfs/dbraw/zinc/17/55/55/997175555.db2.gz WGKSPSMDATVULC-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1C(F)(F)F ZINC000484939798 997315569 /nfs/dbraw/zinc/31/55/69/997315569.db2.gz VHQXOKCPGAFHDA-UHFFFAOYSA-N -2 0 414.283 3.618 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000484990246 997351587 /nfs/dbraw/zinc/35/15/87/997351587.db2.gz YIZRJGGCDLJAHT-UHFFFAOYSA-N -2 0 410.300 3.882 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c(Cl)cc1C(=O)[O-] ZINC000485265828 997659272 /nfs/dbraw/zinc/65/92/72/997659272.db2.gz BCPSTAXCEBEZAL-UHFFFAOYSA-N -2 0 421.805 3.757 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)c(Cl)cc1C(=O)[O-] ZINC000485272288 997666560 /nfs/dbraw/zinc/66/65/60/997666560.db2.gz XRUZOEBXKOQJCG-UHFFFAOYSA-N -2 0 413.879 3.882 20 0 HHADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1 ZINC000486078034 998524758 /nfs/dbraw/zinc/52/47/58/998524758.db2.gz FYTPWTCKWULCGK-UHFFFAOYSA-N -2 0 417.361 3.677 20 0 HHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)s1 ZINC000486092570 998540254 /nfs/dbraw/zinc/54/02/54/998540254.db2.gz ISQZDPCFNKMLHH-UHFFFAOYSA-N -2 0 424.422 3.802 20 0 HHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)s1 ZINC000486131036 998579561 /nfs/dbraw/zinc/57/95/61/998579561.db2.gz SYUCQOBXABUOLO-UHFFFAOYSA-N -2 0 404.897 3.565 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1)C(=O)[O-] ZINC000479198088 999322319 /nfs/dbraw/zinc/32/23/19/999322319.db2.gz IKERLVIBXPAECA-JTQLQIEISA-N -2 0 405.369 3.909 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)cc1C(=O)[O-] ZINC000479245308 999344159 /nfs/dbraw/zinc/34/41/59/999344159.db2.gz CHSFJTOEODINKF-UHFFFAOYSA-N -2 0 419.846 3.730 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1-c1cccc(C)c1 ZINC000480190374 999740588 /nfs/dbraw/zinc/74/05/88/999740588.db2.gz BBVWVGNBFSNPII-UHFFFAOYSA-N -2 0 417.462 3.690 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC000480244832 999755208 /nfs/dbraw/zinc/75/52/08/999755208.db2.gz HISCBQQGFHXNQS-UHFFFAOYSA-N -2 0 413.499 3.859 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)c(Cl)c1 ZINC000489581424 999796719 /nfs/dbraw/zinc/79/67/19/999796719.db2.gz SSIUXMFXOZXHAP-UHFFFAOYSA-N -2 0 413.789 3.507 20 0 HHADRL CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C)c1 ZINC000489701328 999820478 /nfs/dbraw/zinc/82/04/78/999820478.db2.gz ZLAQFGWISZPEFY-LBPRGKRZSA-N -2 0 424.906 3.676 20 0 HHADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)cn2)cc1 ZINC000489746888 999830052 /nfs/dbraw/zinc/83/00/52/999830052.db2.gz PCLCZXSQONOUJW-UHFFFAOYSA-N -2 0 402.403 3.820 20 0 HHADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C ZINC000489759962 999832782 /nfs/dbraw/zinc/83/27/82/999832782.db2.gz BLTKQGOHGNIMFT-UHFFFAOYSA-N -2 0 410.879 3.886 20 0 HHADRL CCOc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000491092955 1000044784 /nfs/dbraw/zinc/04/47/84/1000044784.db2.gz UVKPFVZRZHHJAP-UHFFFAOYSA-N -2 0 416.455 3.715 20 0 HHADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000491571443 1000084388 /nfs/dbraw/zinc/08/43/88/1000084388.db2.gz DKOSGQJSXKEXSN-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1)C(=O)[O-] ZINC000504703174 1000333120 /nfs/dbraw/zinc/33/31/20/1000333120.db2.gz NIEJRYHOHMOUNY-GFCCVEGCSA-N -2 0 404.469 3.708 20 0 HHADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c1 ZINC000507025366 1001770094 /nfs/dbraw/zinc/77/00/94/1001770094.db2.gz HIIFROFWNJGLNI-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1C(=O)[O-] ZINC000507570671 1002174672 /nfs/dbraw/zinc/17/46/72/1002174672.db2.gz YYVKYZOYKIRPIO-UHFFFAOYSA-N -2 0 401.416 3.554 20 0 HHADRL CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)ccc2O1 ZINC000507601480 1002208443 /nfs/dbraw/zinc/20/84/43/1002208443.db2.gz OGTBBKMPBFUHKI-UHFFFAOYSA-N -2 0 409.847 3.583 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c2ccccc2n1C ZINC000507639990 1002241101 /nfs/dbraw/zinc/24/11/01/1002241101.db2.gz YMBLIOOQVZNCNS-ZDUSSCGKSA-N -2 0 404.513 3.853 20 0 HHADRL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)no1 ZINC000507894629 1002428655 /nfs/dbraw/zinc/42/86/55/1002428655.db2.gz PZNBPGOIFCJMQB-UHFFFAOYSA-N -2 0 422.381 3.511 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)c(C)c1OCC(=O)[O-] ZINC000499296447 1002707047 /nfs/dbraw/zinc/70/70/47/1002707047.db2.gz QGRCSUUOICEBGZ-UHFFFAOYSA-N -2 0 423.535 3.544 20 0 HHADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000509397840 1003829482 /nfs/dbraw/zinc/82/94/82/1003829482.db2.gz XOYWRGLDAHZYAT-UHFFFAOYSA-N -2 0 414.405 3.787 20 0 HHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000509565535 1003948641 /nfs/dbraw/zinc/94/86/41/1003948641.db2.gz ABNSNWFATPKHHS-UHFFFAOYSA-N -2 0 417.842 3.532 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1 ZINC000512733850 1004525736 /nfs/dbraw/zinc/52/57/36/1004525736.db2.gz NJFQNFOBVJLPKK-UHFFFAOYSA-N -2 0 402.403 3.820 20 0 HHADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000513813456 1005139457 /nfs/dbraw/zinc/13/94/57/1005139457.db2.gz FEWLCEPGZCDSPY-UHFFFAOYSA-N -2 0 418.254 3.587 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)c(C)c3)nc2)cc1C(=O)[O-] ZINC000504230316 1005578289 /nfs/dbraw/zinc/57/82/89/1005578289.db2.gz OYUHSCHMWOBWSR-UHFFFAOYSA-N -2 0 415.471 3.811 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)nc1C ZINC000504254778 1005583363 /nfs/dbraw/zinc/58/33/63/1005583363.db2.gz VVNURGYSWGIQPV-UHFFFAOYSA-N -2 0 401.444 3.503 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)cc1C(=O)[O-] ZINC000504303653 1005593143 /nfs/dbraw/zinc/59/31/43/1005593143.db2.gz HUNYYYQAERUALC-UHFFFAOYSA-N -2 0 424.482 3.561 20 0 HHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C(F)F ZINC000534058829 1006030854 /nfs/dbraw/zinc/03/08/54/1006030854.db2.gz GKOLMYAOQVXKQZ-UHFFFAOYSA-N -2 0 407.826 3.629 20 0 HHADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C(F)F)n1 ZINC000534168866 1006152475 /nfs/dbraw/zinc/15/24/75/1006152475.db2.gz PQIXTEMWFRLSBT-UHFFFAOYSA-N -2 0 407.826 3.629 20 0 HHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000534237525 1006242667 /nfs/dbraw/zinc/24/26/67/1006242667.db2.gz IYHASBMWTOZNLL-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1OC(F)F ZINC000515633067 1006569659 /nfs/dbraw/zinc/56/96/59/1006569659.db2.gz OULKXQONKPNNPJ-UHFFFAOYSA-N -2 0 423.340 3.697 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c(Cl)cc1C(=O)[O-] ZINC000534687434 1006668510 /nfs/dbraw/zinc/66/85/10/1006668510.db2.gz JHVHEGJWQAASKX-UHFFFAOYSA-N -2 0 422.846 3.811 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000532498528 1006939881 /nfs/dbraw/zinc/93/98/81/1006939881.db2.gz QIDVHWWRFLOJOI-UHFFFAOYSA-N -2 0 402.241 3.650 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1C(F)(F)F ZINC000532844953 1007230886 /nfs/dbraw/zinc/23/08/86/1007230886.db2.gz SFNQOZBLTNGCBD-UHFFFAOYSA-N -2 0 417.390 3.656 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000516822966 1007312008 /nfs/dbraw/zinc/31/20/08/1007312008.db2.gz JAPYJVNZMXASRA-UHFFFAOYSA-N -2 0 419.890 3.516 20 0 HHADRL O=C([O-])c1c[nH]c(=O)c2cc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)ccc12 ZINC000516949771 1007351740 /nfs/dbraw/zinc/35/17/40/1007351740.db2.gz MEZKNRPSHLLMCY-UHFFFAOYSA-N -2 0 413.238 3.746 20 0 HHADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1Cl ZINC000533621923 1007924685 /nfs/dbraw/zinc/92/46/85/1007924685.db2.gz GWTHSWUEDGGMLK-UHFFFAOYSA-N -2 0 423.752 3.556 20 0 HHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000533953086 1008230021 /nfs/dbraw/zinc/23/00/21/1008230021.db2.gz KHVFBQPNNGALIE-UHFFFAOYSA-N -2 0 416.268 3.796 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000545829262 1008914165 /nfs/dbraw/zinc/91/41/65/1008914165.db2.gz INAMTGBDMGPTIT-UHFFFAOYSA-N -2 0 410.698 3.592 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(C)C)no3)cc2)sc1C(=O)[O-] ZINC000549943774 1009552694 /nfs/dbraw/zinc/55/26/94/1009552694.db2.gz MDNITGFLYQZAJR-UHFFFAOYSA-N -2 0 421.500 3.653 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)o2)cc(C(F)(F)F)c1 ZINC000546779590 1009745244 /nfs/dbraw/zinc/74/52/44/1009745244.db2.gz FFFOIDRHTKOWOZ-UHFFFAOYSA-N -2 0 414.155 3.560 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)o2)cc1C(F)(F)F ZINC000546781972 1009747275 /nfs/dbraw/zinc/74/72/75/1009747275.db2.gz GHYLNHJGAPJKNE-UHFFFAOYSA-N -2 0 414.155 3.560 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)c1 ZINC000520975706 1010018729 /nfs/dbraw/zinc/01/87/29/1010018729.db2.gz MKQRDXMNKCLRMN-UHFFFAOYSA-N -2 0 424.887 3.875 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc1)C(=O)[O-] ZINC000544646375 1010271528 /nfs/dbraw/zinc/27/15/28/1010271528.db2.gz GRJOZBQSQYXVMY-JTQLQIEISA-N -2 0 416.268 3.652 20 0 HHADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Cc2nc(C(=O)[O-])cs2)cc1 ZINC000547550696 1010346468 /nfs/dbraw/zinc/34/64/68/1010346468.db2.gz LEVPPBKUUIRQTB-UHFFFAOYSA-N -2 0 418.496 3.550 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cc(C(=O)[O-])c1 ZINC000547559954 1010349119 /nfs/dbraw/zinc/34/91/19/1010349119.db2.gz AVVDHCBOKVSKIP-UHFFFAOYSA-N -3 0 405.815 3.690 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551110515 1010376048 /nfs/dbraw/zinc/37/60/48/1010376048.db2.gz XZAJEDYISFZICH-UHFFFAOYSA-N -2 0 409.769 3.655 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cccc1C(=O)[O-] ZINC000551114376 1010378519 /nfs/dbraw/zinc/37/85/19/1010378519.db2.gz LUVBWIJHRPXOEH-UHFFFAOYSA-N -2 0 405.806 3.904 20 0 HHADRL Cc1c(Br)cc([N-]S(=O)(=O)c2cccc(F)c2F)cc1C(=O)[O-] ZINC000551114893 1010379375 /nfs/dbraw/zinc/37/93/75/1010379375.db2.gz HLZIBVIYPHWPMF-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000548193641 1010558810 /nfs/dbraw/zinc/55/88/10/1010558810.db2.gz AUFRPYZZFZQJTA-UHFFFAOYSA-N -2 0 424.906 3.711 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)[O-] ZINC000548196095 1010558850 /nfs/dbraw/zinc/55/88/50/1010558850.db2.gz WBWGSSYKMXPIDH-UHFFFAOYSA-N -3 0 423.752 3.556 20 0 HHADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000548197512 1010559239 /nfs/dbraw/zinc/55/92/39/1010559239.db2.gz ASCWHULOOAVHLC-UHFFFAOYSA-N -2 0 423.752 3.556 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cccc(Br)c2Cl)ccc1C(=O)[O-] ZINC000551474253 1010609301 /nfs/dbraw/zinc/60/93/01/1010609301.db2.gz VXTQPUXDYWRQDA-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1Cl ZINC000548529847 1010657429 /nfs/dbraw/zinc/65/74/29/1010657429.db2.gz KFVXMYUXEQVGGR-UHFFFAOYSA-N -2 0 414.842 3.553 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(SCCC(=O)[O-])c1 ZINC000548768577 1010726040 /nfs/dbraw/zinc/72/60/40/1010726040.db2.gz KBRZFBCACSQJNB-UHFFFAOYSA-N -2 0 420.434 3.776 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)sc1C(=O)[O-] ZINC000536119603 1011238570 /nfs/dbraw/zinc/23/85/70/1011238570.db2.gz LXFSZDTUVOKLNB-UHFFFAOYSA-N -2 0 421.525 3.532 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)nn1-c1ccccc1Cl ZINC000540696139 1011348209 /nfs/dbraw/zinc/34/82/09/1011348209.db2.gz KRWKWMRYFHXOCF-UHFFFAOYSA-N -2 0 419.890 3.950 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1Br ZINC000540697034 1011349761 /nfs/dbraw/zinc/34/97/61/1011349761.db2.gz ZHLAKAQZXSHJDP-UHFFFAOYSA-N -2 0 423.244 3.603 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c(C)c1OCC(=O)[O-] ZINC000523591224 1012149005 /nfs/dbraw/zinc/14/90/05/1012149005.db2.gz BDFLNWSRUMJDTB-UHFFFAOYSA-N -2 0 420.874 3.769 20 0 HHADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1 ZINC000541807646 1012691150 /nfs/dbraw/zinc/69/11/50/1012691150.db2.gz RNYXYXSQOQALSO-UHFFFAOYSA-N -2 0 418.254 3.547 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1Br ZINC000541807686 1012691225 /nfs/dbraw/zinc/69/12/25/1012691225.db2.gz PFSNCHZKPZXNSF-GFCCVEGCSA-N -2 0 412.305 3.822 20 0 HHADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000524006723 1012754375 /nfs/dbraw/zinc/75/43/75/1012754375.db2.gz QYLAZIIXXVRXJX-UHFFFAOYSA-N -2 0 406.485 3.729 20 0 HHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1sccc1Br ZINC000541929719 1012790862 /nfs/dbraw/zinc/79/08/62/1012790862.db2.gz VINIZJHVJWZJMD-UHFFFAOYSA-N -2 0 404.307 3.719 20 0 HHADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)n[nH]1 ZINC000542006685 1012888195 /nfs/dbraw/zinc/88/81/95/1012888195.db2.gz SJLKJNFBTPHTPZ-UHFFFAOYSA-N -2 0 413.499 3.738 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)c(Cl)cc1F ZINC000760268273 1071813534 /nfs/dbraw/zinc/81/35/34/1071813534.db2.gz MKAFZYGDCODVJW-UHFFFAOYSA-N -2 0 423.809 3.560 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1OC(C)C ZINC000760525908 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COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000410382718 973981423 /nfs/dbraw/zinc/98/14/23/973981423.db2.gz NSGHKBQKJIPIER-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410402363 974002386 /nfs/dbraw/zinc/00/23/86/974002386.db2.gz ZSHUCDXUABEKQD-JTQLQIEISA-N -2 0 416.268 3.967 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cccc1C(=O)[O-] ZINC000410405727 974005416 /nfs/dbraw/zinc/00/54/16/974005416.db2.gz ZDEJUBGHTYWWIF-UHFFFAOYSA-N -2 0 403.378 3.992 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccc1Cl ZINC000427217321 974984893 /nfs/dbraw/zinc/98/48/93/974984893.db2.gz HWPCFPZATCULIE-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc(C(=O)[O-])c1C ZINC000431205880 978092032 /nfs/dbraw/zinc/09/20/32/978092032.db2.gz JTADWJUTSSZVQB-UHFFFAOYSA-N -2 0 417.361 3.519 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccc(C)cc1 ZINC000431890282 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Cc1csc(-c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3[O-])n2)n1 ZINC000436925290 981627814 /nfs/dbraw/zinc/62/78/14/981627814.db2.gz JUTCXGOFWDAEOH-UHFFFAOYSA-N -2 0 420.497 3.736 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)c(F)c1 ZINC000438788640 983070771 /nfs/dbraw/zinc/07/07/71/983070771.db2.gz FVSKBOBJQGZOTN-UHFFFAOYSA-N -2 0 414.414 3.577 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c1 ZINC000441716624 984412637 /nfs/dbraw/zinc/41/26/37/984412637.db2.gz RAQTZZXRCSLUTF-UHFFFAOYSA-N -2 0 403.378 3.695 20 0 HHADRL CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000442323528 984825269 /nfs/dbraw/zinc/82/52/69/984825269.db2.gz OGBIWWSIHKDQHO-UHFFFAOYSA-N -2 0 418.254 3.669 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1 ZINC000468550331 986256208 /nfs/dbraw/zinc/25/62/08/986256208.db2.gz YVMZVMUOGQJURB-UHFFFAOYSA-N -2 0 409.891 3.947 20 0 HHADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000463365641 986331312 /nfs/dbraw/zinc/33/13/12/986331312.db2.gz FFSFKDMFXUYSQM-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1)C(=O)[O-] ZINC000463777016 986767355 /nfs/dbraw/zinc/76/73/55/986767355.db2.gz ICRUIVCNUBCHER-HNNXBMFYSA-N -2 0 400.456 3.796 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c2ncccc12 ZINC000463786926 986778203 /nfs/dbraw/zinc/77/82/03/986778203.db2.gz MIHOIPCOWCPAOC-UHFFFAOYSA-N -2 0 400.456 3.695 20 0 HHADRL Cc1cc(C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469228902 986949475 /nfs/dbraw/zinc/94/94/75/986949475.db2.gz NZELHQKSLMQZDR-UHFFFAOYSA-N -2 0 407.430 3.727 20 0 HHADRL Cc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc(C(=O)[O-])c1C ZINC000471110492 989212746 /nfs/dbraw/zinc/21/27/46/989212746.db2.gz QVFIALUNJDXBNH-UHFFFAOYSA-N -2 0 418.254 3.807 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2nn([C@@H](C)c3ccccc3)cc2C)cc1C(=O)[O-] ZINC000471566465 989767333 /nfs/dbraw/zinc/76/73/33/989767333.db2.gz KQUVBAGBQISKJE-HNNXBMFYSA-N -2 0 413.499 3.862 20 0 HHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471568274 989769205 /nfs/dbraw/zinc/76/92/05/989769205.db2.gz XLPDAZCPDWDDGX-INIZCTEOSA-N -2 0 413.499 3.917 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn([C@@H](C)c2ccccc2)cc1C ZINC000471569950 989771313 /nfs/dbraw/zinc/77/13/13/989771313.db2.gz KAGFGPZYGLVWFE-HNNXBMFYSA-N -2 0 413.499 3.862 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000466286711 991534026 /nfs/dbraw/zinc/53/40/26/991534026.db2.gz IXWBIQKXICKBSD-UHFFFAOYSA-N -2 0 412.423 3.819 20 0 HHADRL Cc1ccc(-n2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cn2)c(C)c1 ZINC000466407854 991702270 /nfs/dbraw/zinc/70/22/70/991702270.db2.gz DCHIVFOIQFCEQM-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCc2cccc(F)c2)c1 ZINC000467750609 992997073 /nfs/dbraw/zinc/99/70/73/992997073.db2.gz AGDDQSKQGFIKPC-UHFFFAOYSA-N -2 0 405.403 3.805 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(NC(=O)c2ccccc2)ccc1C ZINC000467756854 993001906 /nfs/dbraw/zinc/00/19/06/993001906.db2.gz WMBUHAOUKSTYDG-UHFFFAOYSA-N -2 0 414.439 3.648 20 0 HHADRL COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC000467767847 993009511 /nfs/dbraw/zinc/00/95/11/993009511.db2.gz GBHROJFBVAXIOY-UHFFFAOYSA-N -2 0 418.427 3.591 20 0 HHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)c1 ZINC000481587894 994432598 /nfs/dbraw/zinc/43/25/98/994432598.db2.gz MKXBJPQUZRCWFH-UHFFFAOYSA-N -2 0 410.498 3.688 20 0 HHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)(F)F)cc1 ZINC000481963516 994851277 /nfs/dbraw/zinc/85/12/77/994851277.db2.gz RIFINWCKVJDMGY-UHFFFAOYSA-N -2 0 423.796 3.709 20 0 HHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCCc2ccccc2)cc1 ZINC000481979230 994874365 /nfs/dbraw/zinc/87/43/65/994874365.db2.gz GPPXIAPDASDGPZ-UHFFFAOYSA-N -2 0 411.479 3.736 20 0 HHADRL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000476254526 996709177 /nfs/dbraw/zinc/70/91/77/996709177.db2.gz FTWSGOQZNMLLQY-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Br ZINC000476257614 996711205 /nfs/dbraw/zinc/71/12/05/996711205.db2.gz ICAYNGYFPSYEGV-UHFFFAOYSA-N -2 0 424.194 3.967 20 0 HHADRL COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000476270005 996720474 /nfs/dbraw/zinc/72/04/74/996720474.db2.gz BSRQTIDQELUMIP-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(SCCC(=O)[O-])c1 ZINC000484488792 996811350 /nfs/dbraw/zinc/81/13/50/996811350.db2.gz VKHYMOVNQPEMKP-UHFFFAOYSA-N -2 0 408.526 3.972 20 0 HHADRL COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000476387903 996835211 /nfs/dbraw/zinc/83/52/11/996835211.db2.gz UOYVMYCVBVQOIL-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)cc1C(=O)[O-] ZINC000484785748 997134547 /nfs/dbraw/zinc/13/45/47/997134547.db2.gz GIFQITUZABQAOR-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1C(F)(F)F ZINC000484925599 997300284 /nfs/dbraw/zinc/30/02/84/997300284.db2.gz NTNAVHWMWBANKW-UHFFFAOYSA-N -2 0 411.304 3.806 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c(Cl)cc1C(=O)[O-] ZINC000485264196 997657072 /nfs/dbraw/zinc/65/70/72/997657072.db2.gz PETDLUIHRHROHK-UHFFFAOYSA-N -2 0 411.863 3.636 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(Cl)cc1C(=O)[O-] ZINC000485264422 997658402 /nfs/dbraw/zinc/65/84/02/997658402.db2.gz HRMBDNZDDHKGPZ-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486083271 998529864 /nfs/dbraw/zinc/52/98/64/998529864.db2.gz SSFRTKUNLCRJHW-UHFFFAOYSA-N -2 0 419.377 3.791 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1F ZINC000486083961 998530682 /nfs/dbraw/zinc/53/06/82/998530682.db2.gz ZTLLVSZNDCFPDV-UHFFFAOYSA-N -2 0 423.340 3.622 20 0 HHADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Br ZINC000486113222 998560443 /nfs/dbraw/zinc/56/04/43/998560443.db2.gz BOLFUFPDNQAYTA-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cc(C(=O)[O-])c1C ZINC000486504255 998797387 /nfs/dbraw/zinc/79/73/87/998797387.db2.gz YRCHBSRXLHFFQS-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])cc1Cl ZINC000478671739 999080903 /nfs/dbraw/zinc/08/09/03/999080903.db2.gz FGZVCWZRUVMACV-UHFFFAOYSA-N -2 0 414.842 3.553 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c(C)cc1C ZINC000478713439 999102023 /nfs/dbraw/zinc/10/20/23/999102023.db2.gz ZJBGKBAPDXWTAR-UHFFFAOYSA-N -2 0 419.377 3.710 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c(OC)cc1Cl ZINC000479256369 999350522 /nfs/dbraw/zinc/35/05/22/999350522.db2.gz LWYLQMPJZWZAAM-UHFFFAOYSA-N -2 0 420.270 3.818 20 0 HHADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479359382 999402515 /nfs/dbraw/zinc/40/25/15/999402515.db2.gz CPUXDFHZLJSWSK-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1-c1cccc(Cl)c1 ZINC000480201736 999743600 /nfs/dbraw/zinc/74/36/00/999743600.db2.gz VIOOGLVUIDSKRJ-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1-c1ccccc1Cl ZINC000480220416 999748638 /nfs/dbraw/zinc/74/86/38/999748638.db2.gz GLQFAPDOKHJLFS-UHFFFAOYSA-N -2 0 423.853 3.726 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 ZINC000480241496 999754362 /nfs/dbraw/zinc/75/43/62/999754362.db2.gz PCQXECOBDUDDBU-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(-c2nc(C3CC3)no2)c1 ZINC000489597024 999799608 /nfs/dbraw/zinc/79/96/08/999799608.db2.gz WFPCLGDJBPNQNR-UHFFFAOYSA-N -2 0 417.418 3.561 20 0 HHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000491572676 1000084693 /nfs/dbraw/zinc/08/46/93/1000084693.db2.gz OEGVERACUHZJBZ-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1C(=O)[O-] ZINC000491573210 1000084909 /nfs/dbraw/zinc/08/49/09/1000084909.db2.gz QYTKRQFVRDDZAN-UHFFFAOYSA-N -2 0 410.455 3.550 20 0 HHADRL O=C([O-])CC1(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCCC1 ZINC000493927155 1000218616 /nfs/dbraw/zinc/21/86/16/1000218616.db2.gz SJIDEYLFAJMDRP-UHFFFAOYSA-N -2 0 416.499 3.851 20 0 HHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1)C(=O)[O-] ZINC000504686772 1000325804 /nfs/dbraw/zinc/32/58/04/1000325804.db2.gz JXSJCEKEWZJHBN-QMMMGPOBSA-N -2 0 422.347 3.877 20 0 HHADRL CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cn(CC(=O)[O-])nn2)C1 ZINC000494482410 1000516609 /nfs/dbraw/zinc/51/66/09/1000516609.db2.gz LBHKHQOCLXQWNX-RNQWEJQRSA-N -2 0 420.469 3.758 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)s1 ZINC000505130289 1000566172 /nfs/dbraw/zinc/56/61/72/1000566172.db2.gz UCFBICNGLYKMBP-UHFFFAOYSA-N -2 0 408.526 3.658 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2OC(F)F)ccc1C(=O)[O-] ZINC000506725939 1001506518 /nfs/dbraw/zinc/50/65/18/1001506518.db2.gz JVLJEHYZCPVOFS-UHFFFAOYSA-N -2 0 423.340 3.697 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)cc(C(=O)[O-])c1 ZINC000507567639 1002171731 /nfs/dbraw/zinc/17/17/31/1002171731.db2.gz NLCVTBISRFYYKK-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1C(C)C ZINC000499262088 1002665191 /nfs/dbraw/zinc/66/51/91/1002665191.db2.gz GJDSHHKAAUAMEK-UHFFFAOYSA-N -2 0 421.519 3.511 20 0 HHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1C(C)C ZINC000499272671 1002678387 /nfs/dbraw/zinc/67/83/87/1002678387.db2.gz MCZCKTBECGRZGE-UHFFFAOYSA-N -2 0 405.520 3.650 20 0 HHADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000500374634 1003672225 /nfs/dbraw/zinc/67/22/25/1003672225.db2.gz QABNKFAVGZZKMU-UHFFFAOYSA-N -2 0 413.879 3.639 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)c2cccnc12 ZINC000509375645 1003803874 /nfs/dbraw/zinc/80/38/74/1003803874.db2.gz LENNPMLQUDHYLL-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)c1 ZINC000509383491 1003812775 /nfs/dbraw/zinc/81/27/75/1003812775.db2.gz IISYDSIBNFZPTD-UHFFFAOYSA-N -2 0 414.458 3.927 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)sc1C(=O)[O-] ZINC000509618803 1003984617 /nfs/dbraw/zinc/98/46/17/1003984617.db2.gz LEJQYZLIYHHICV-UHFFFAOYSA-N -2 0 401.465 3.787 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000512724466 1004519703 /nfs/dbraw/zinc/51/97/03/1004519703.db2.gz DBMKDLYNTABFLD-UHFFFAOYSA-N -2 0 409.769 3.888 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000534400750 1006377059 /nfs/dbraw/zinc/37/70/59/1006377059.db2.gz IUSDOKMNOHRVLO-UHFFFAOYSA-N -2 0 408.234 3.949 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)cs1 ZINC000515691687 1006592243 /nfs/dbraw/zinc/59/22/43/1006592243.db2.gz BZYMLEHFZGJJLB-UHFFFAOYSA-N -2 0 407.444 3.965 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)cs1 ZINC000515696941 1006595244 /nfs/dbraw/zinc/59/52/44/1006595244.db2.gz DMSBPPACGPOYLI-UHFFFAOYSA-N -2 0 400.481 3.941 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CN(c1nccs1)C2 ZINC000535343686 1007397626 /nfs/dbraw/zinc/39/76/26/1007397626.db2.gz DRVHHMQJXRWQSB-UHFFFAOYSA-N -2 0 421.525 3.532 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1C(F)(F)F ZINC000539598294 1007918177 /nfs/dbraw/zinc/91/81/77/1007918177.db2.gz HQLJUHNHAQMWDI-UHFFFAOYSA-N -2 0 412.345 3.859 20 0 HHADRL COc1ccc(-c2cc3[n-]c(COc4ccccc4C(=O)[O-])nc(=O)c3s2)cc1 ZINC000518726162 1008404587 /nfs/dbraw/zinc/40/45/87/1008404587.db2.gz WUTFPJNPVLJMIY-UHFFFAOYSA-N -2 0 408.435 3.937 20 0 HHADRL O=C([O-])c1csc(Cc2ccc([N-]S(=O)(=O)c3c(F)cccc3F)cc2)n1 ZINC000543160228 1008732407 /nfs/dbraw/zinc/73/24/07/1008732407.db2.gz SJUZMXOYHOIIPU-UHFFFAOYSA-N -2 0 410.423 3.511 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)nn1[C@@H](C)C1CC1 ZINC000543166533 1008742340 /nfs/dbraw/zinc/74/23/40/1008742340.db2.gz SQXVFQGPLCNJLY-ZDUSSCGKSA-N -2 0 403.504 3.540 20 0 HHADRL Cc1c(Br)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1C(=O)[O-] ZINC000519653725 1008941431 /nfs/dbraw/zinc/94/14/31/1008941431.db2.gz HGQMRZYSSRAXJQ-UHFFFAOYSA-N -2 0 424.194 3.674 20 0 HHADRL C[C@@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)C1 ZINC000520141189 1009294083 /nfs/dbraw/zinc/29/40/83/1009294083.db2.gz ISJLETQTUMJPAZ-PBHICJAKSA-N -2 0 406.504 3.619 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1nc2ccccc2[nH]1 ZINC000520360301 1009497777 /nfs/dbraw/zinc/49/77/77/1009497777.db2.gz IWSVQXUUMZVIQE-UHFFFAOYSA-N -2 0 423.450 3.738 20 0 HHADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)c(Br)ccc1C(=O)[O-] ZINC000547932154 1010472549 /nfs/dbraw/zinc/47/25/49/1010472549.db2.gz YTGMOHCWVVYHSU-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000547938894 1010474760 /nfs/dbraw/zinc/47/47/60/1010474760.db2.gz OALPTOMYYDKYEO-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2oc(CC)nc2c1 ZINC000548261266 1010574380 /nfs/dbraw/zinc/57/43/80/1010574380.db2.gz LUNITOKAWPFYHI-UHFFFAOYSA-N -2 0 404.444 3.678 20 0 HHADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000548529626 1010657304 /nfs/dbraw/zinc/65/73/04/1010657304.db2.gz TYRNHUHFWLQKTA-UHFFFAOYSA-N -2 0 418.254 3.587 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nc(C)cs2)c1 ZINC000522596315 1011100247 /nfs/dbraw/zinc/10/02/47/1011100247.db2.gz AOLULDDXCOJEFF-UHFFFAOYSA-N -2 0 404.469 3.626 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2SCC(F)F)cc1C(=O)[O-] ZINC000522958105 1011405921 /nfs/dbraw/zinc/40/59/21/1011405921.db2.gz GALMKERIBOLITL-UHFFFAOYSA-N -2 0 410.851 3.535 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000523728147 1012344137 /nfs/dbraw/zinc/34/41/37/1012344137.db2.gz GHOCMPDAZQLDBG-SANMLTNESA-N -2 0 421.521 3.555 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)nn1-c1cccc(Cl)c1 ZINC000537394075 1012876451 /nfs/dbraw/zinc/87/64/51/1012876451.db2.gz JUMBVVDTPDEXQG-UHFFFAOYSA-N -2 0 419.890 3.652 20 0 HHADRL Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000729665302 1071776396 /nfs/dbraw/zinc/77/63/96/1071776396.db2.gz HWNDZYBTEAUZRX-UHFFFAOYSA-N -2 0 423.903 3.724 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000729665559 1071778978 /nfs/dbraw/zinc/77/89/78/1071778978.db2.gz JCGVDSGJCNQQKP-UHFFFAOYSA-N -2 0 422.459 3.541 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(OCc3cccc(F)c3)c2)c1 ZINC000614865212 1071834031 /nfs/dbraw/zinc/83/40/31/1071834031.db2.gz COSPVRYIHLVGFR-UHFFFAOYSA-N -2 0 407.444 3.965 20 0 HHADRL CO[C@@H](c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1)C(C)C ZINC000571609782 1072682219 /nfs/dbraw/zinc/68/22/19/1072682219.db2.gz JNDXIDKHKNLDRY-OAHLLOKOSA-N -2 0 409.489 3.648 20 0 HHADRL Cc1csc(Sc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c(C)c2)n1 ZINC000588627783 1073067769 /nfs/dbraw/zinc/06/77/69/1073067769.db2.gz SUVBMKHFBNNTIS-UHFFFAOYSA-N -2 0 423.541 3.749 20 0 HHADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000588628945 1073068622 /nfs/dbraw/zinc/06/86/22/1073068622.db2.gz WZAFDSYMSASCDE-UHFFFAOYSA-N -2 0 411.863 3.734 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000591682512 1074486749 /nfs/dbraw/zinc/48/67/49/1074486749.db2.gz CEEWEOCPZCCVGT-UHFFFAOYSA-N -2 0 412.467 3.722 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)cc1C(=O)[O-] ZINC000591683594 1074487744 /nfs/dbraw/zinc/48/77/44/1074487744.db2.gz ZQQWVJYYFRQEMP-UHFFFAOYSA-N -2 0 412.467 3.776 20 0 HHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000542235028 1013191716 /nfs/dbraw/zinc/19/17/16/1013191716.db2.gz QCVRJDUKHSKBFR-UHFFFAOYSA-N -2 0 421.519 3.578 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2C)sc1C(=O)[O-] ZINC000542236616 1013193875 /nfs/dbraw/zinc/19/38/75/1013193875.db2.gz PVNLWBITMFKAIO-UHFFFAOYSA-N -2 0 419.484 3.791 20 0 HHADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000013464604 962393926 /nfs/dbraw/zinc/39/39/26/962393926.db2.gz RRTKRDQTWUAWKT-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000023043350 963758722 /nfs/dbraw/zinc/75/87/22/963758722.db2.gz OTLPQGBRGGLYME-UHFFFAOYSA-N -2 0 421.418 3.849 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000026544172 964596687 /nfs/dbraw/zinc/59/66/87/964596687.db2.gz NASAEOJFMRKXFE-UHFFFAOYSA-N -2 0 407.444 3.965 20 0 HHADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000058495051 965755137 /nfs/dbraw/zinc/75/51/37/965755137.db2.gz WPESJOZEDOHTNP-UHFFFAOYSA-N -2 0 421.233 3.590 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1)C(=O)[O-] ZINC000542722334 1013633773 /nfs/dbraw/zinc/63/37/73/1013633773.db2.gz CIHUROGIKPPXLD-VIFPVBQESA-N -2 0 404.307 3.575 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1)C(=O)[O-] ZINC000542733907 1013646027 /nfs/dbraw/zinc/64/60/27/1013646027.db2.gz JQYMXDFEVGDAOK-JTQLQIEISA-N -2 0 405.369 3.909 20 0 HHADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1Cl ZINC000063877927 966984217 /nfs/dbraw/zinc/98/42/17/966984217.db2.gz YPNAHBLOKXLCNQ-UHFFFAOYSA-N -2 0 421.233 3.590 20 0 HHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000538137640 1013699343 /nfs/dbraw/zinc/69/93/43/1013699343.db2.gz CMYFAGFLXLUQQV-UHFFFAOYSA-N -2 0 413.879 3.565 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc(C(F)(F)F)c1 ZINC000542931833 1013767142 /nfs/dbraw/zinc/76/71/42/1013767142.db2.gz JMSXDKOHGXDYQQ-UHFFFAOYSA-N -2 0 414.283 3.618 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4Cl)nc3c2)c[nH]1 ZINC000072071371 968972384 /nfs/dbraw/zinc/97/23/84/968972384.db2.gz VNPGXWNNGVEKMQ-UHFFFAOYSA-N -2 0 416.846 3.710 20 0 HHADRL O=C([O-])C=Cc1ccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1 ZINC000237954038 970404190 /nfs/dbraw/zinc/40/41/90/970404190.db2.gz KLOIMROCSFXIJU-FPYGCLRLSA-N -2 0 413.227 3.641 20 0 HHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1 ZINC000316708975 972652294 /nfs/dbraw/zinc/65/22/94/972652294.db2.gz GGZJSZJCFBPFHQ-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Br)ccc1C(=O)[O-] ZINC000319266396 972669524 /nfs/dbraw/zinc/66/95/24/972669524.db2.gz ZMCQDPJIYCRIAV-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000319997602 972674468 /nfs/dbraw/zinc/67/44/68/972674468.db2.gz MGUWDUWOUHQHCV-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1C ZINC000320238173 972677989 /nfs/dbraw/zinc/67/79/89/972677989.db2.gz YGOJRNIDXSULKB-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)cc1F ZINC000320189919 972678014 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COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1Br ZINC000391172525 972837920 /nfs/dbraw/zinc/83/79/20/972837920.db2.gz GSOAKMZEYJWVPO-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Br)c2n1 ZINC000392940785 972858735 /nfs/dbraw/zinc/85/87/35/972858735.db2.gz VFSVJBGNXSWBCN-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cccc1C(=O)[O-] ZINC000410396843 973996366 /nfs/dbraw/zinc/99/63/66/973996366.db2.gz IPHCRCNZRHCCQN-UHFFFAOYSA-N -2 0 417.487 3.903 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c(F)c1 ZINC000425955720 974061194 /nfs/dbraw/zinc/06/11/94/974061194.db2.gz AGIPXWAANNEBDT-UHFFFAOYSA-N -2 0 420.462 3.844 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC000432055693 978663348 /nfs/dbraw/zinc/66/33/48/978663348.db2.gz TUUUZKCBOYGUFU-UHFFFAOYSA-N -2 0 405.501 3.694 20 0 HHADRL CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)C(C)C ZINC000433610226 979423425 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CBMAPGIPWWDFFZ-VXGBXAGGSA-N -2 0 421.500 3.587 20 0 HHADRL COc1ccc2nc(/C=C\c3ccc(OCCC(=O)[O-])c(OC)c3)cc(C(=O)[O-])c2c1 ZINC000460768852 982522476 /nfs/dbraw/zinc/52/24/76/982522476.db2.gz MNLCEVWSJUDCAK-HYXAFXHYSA-N -2 0 423.421 3.974 20 0 HHADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438763908 983054794 /nfs/dbraw/zinc/05/47/94/983054794.db2.gz MYIRVUNFTPHJOQ-UHFFFAOYSA-N -2 0 412.876 3.766 20 0 HHADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438802842 983080204 /nfs/dbraw/zinc/08/02/04/983080204.db2.gz DTPVIOJGPMDWQP-UHFFFAOYSA-N -2 0 420.270 3.518 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)NC(C)C)cc1C(=O)[O-] ZINC000441328954 984187947 /nfs/dbraw/zinc/18/79/47/984187947.db2.gz JIOUEFSZPHSZSU-UHFFFAOYSA-N -2 0 424.906 3.540 20 0 HHADRL CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000462078572 985050553 /nfs/dbraw/zinc/05/05/53/985050553.db2.gz ZFCYTTTWJVMGKS-UHFFFAOYSA-N -2 0 410.879 3.824 20 0 HHADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1O ZINC000462100813 985071918 /nfs/dbraw/zinc/07/19/18/985071918.db2.gz IRJLPEKDXKZWTQ-UHFFFAOYSA-N -2 0 413.879 3.707 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000468834421 986544589 /nfs/dbraw/zinc/54/45/89/986544589.db2.gz FLZIYFKQOPZYRS-UHFFFAOYSA-N -2 0 416.480 3.658 20 0 HHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1)C(=O)[O-] ZINC000463777017 986767225 /nfs/dbraw/zinc/76/72/25/986767225.db2.gz ICRUIVCNUBCHER-OAHLLOKOSA-N -2 0 400.456 3.796 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2nn([C@H](C)c3ccccc3)cc2C)sc1C(=O)[O-] ZINC000471563904 989764993 /nfs/dbraw/zinc/76/49/93/989764993.db2.gz CEQMDWMIIFAUEH-CYBMUJFWSA-N -2 0 405.501 3.670 20 0 HHADRL CSc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)cc1 ZINC000471973217 990139266 /nfs/dbraw/zinc/13/92/66/990139266.db2.gz NZBFJSPCTJFYKN-UHFFFAOYSA-N -2 0 407.391 3.806 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1OC ZINC000467319768 992641726 /nfs/dbraw/zinc/64/17/26/992641726.db2.gz NBYKIJMKPWIILW-UHFFFAOYSA-N -2 0 413.451 3.870 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1OC ZINC000467330851 992653615 /nfs/dbraw/zinc/65/36/15/992653615.db2.gz RBJCUGZROYWIDV-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C)c2C)nc1 ZINC000467757340 993001861 /nfs/dbraw/zinc/00/18/61/993001861.db2.gz KFUVCIVTUHPQLV-UHFFFAOYSA-N -2 0 402.428 3.891 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1COCc1ccccc1 ZINC000467761293 993005227 /nfs/dbraw/zinc/00/52/27/993005227.db2.gz XOEYJZDONXONGO-UHFFFAOYSA-N -2 0 401.440 3.804 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc(C(F)(F)F)c1 ZINC000472789847 993728513 /nfs/dbraw/zinc/72/85/13/993728513.db2.gz MELUQDFHXMFVOS-UHFFFAOYSA-N -2 0 414.283 3.618 20 0 HHADRL Cc1c(Br)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1C(=O)[O-] ZINC000481983176 994880613 /nfs/dbraw/zinc/88/06/13/994880613.db2.gz RAANASAHIHUIPH-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c(Cl)cc1C(=O)[O-] ZINC000484192937 996627904 /nfs/dbraw/zinc/62/79/04/996627904.db2.gz QLYHAPIVRGCGKI-UHFFFAOYSA-N -2 0 406.847 3.843 20 0 HHADRL COc1ccc(Br)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c1 ZINC000476382745 996826179 /nfs/dbraw/zinc/82/61/79/996826179.db2.gz YLWJTFAEJFYRFX-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2SCCC(=O)[O-])cc1C(=O)[O-] ZINC000484507140 996835368 /nfs/dbraw/zinc/83/53/68/996835368.db2.gz ZMPQGVCYJSNOGZ-UHFFFAOYSA-N -2 0 423.512 3.623 20 0 HHADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000476420593 996886168 /nfs/dbraw/zinc/88/61/68/996886168.db2.gz DKZXZXIIKLEBDX-JTQLQIEISA-N -2 0 414.277 3.656 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000484565606 996898756 /nfs/dbraw/zinc/89/87/56/996898756.db2.gz LQJBVYVTHAURHN-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)cc1C(=O)[O-] ZINC000484596664 996930311 /nfs/dbraw/zinc/93/03/11/996930311.db2.gz GWCDOOHBYDCPNI-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000484959448 997336686 /nfs/dbraw/zinc/33/66/86/997336686.db2.gz KSDDEGXFRPLGIP-UHFFFAOYSA-N -2 0 417.405 3.840 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000484992329 997353964 /nfs/dbraw/zinc/35/39/64/997353964.db2.gz ZGFVCRXFVHIDDN-UHFFFAOYSA-N -2 0 407.488 3.548 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)cs1 ZINC000485081506 997452288 /nfs/dbraw/zinc/45/22/88/997452288.db2.gz VVUYNCWKTNDGNJ-UHFFFAOYSA-N -3 0 419.436 3.738 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)c(Cl)cc1C(=O)[O-] ZINC000485268713 997663184 /nfs/dbraw/zinc/66/31/84/997663184.db2.gz RXGLBSMURSPOBI-UHFFFAOYSA-N -2 0 412.876 3.766 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(Br)c2O)cc1C(=O)[O-] ZINC000477223511 997897109 /nfs/dbraw/zinc/89/71/09/997897109.db2.gz RRIVODDBOPGRSH-UHFFFAOYSA-N -2 0 414.277 3.525 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000477417888 998104581 /nfs/dbraw/zinc/10/45/81/998104581.db2.gz HOYVJXRNVMMSCA-UHFFFAOYSA-N -2 0 404.469 3.530 20 0 HHADRL CCOc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000477450686 998155481 /nfs/dbraw/zinc/15/54/81/998155481.db2.gz JEOPDQQXWVMWOA-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL Cc1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3OC(F)(F)F)ccc2[nH]1 ZINC000486067401 998514261 /nfs/dbraw/zinc/51/42/61/998514261.db2.gz IUUNVSCCDYRXMI-UHFFFAOYSA-N -2 0 414.361 3.874 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000486206898 998645707 /nfs/dbraw/zinc/64/57/07/998645707.db2.gz RHOBUZWHVJZPQL-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479298079 999372387 /nfs/dbraw/zinc/37/23/87/999372387.db2.gz UFAGSWMWAPXCDD-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)c(Cl)cc1C(=O)[O-] ZINC000479555333 999475482 /nfs/dbraw/zinc/47/54/82/999475482.db2.gz DJNXGRDCPUYKTH-UHFFFAOYSA-N -2 0 413.879 3.851 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1)C(=O)[O-] ZINC000479572707 999484726 /nfs/dbraw/zinc/48/47/26/999484726.db2.gz GKWXAVAWPHUOON-JTQLQIEISA-N -2 0 416.268 3.652 20 0 HHADRL CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n[nH]1 ZINC000489744756 999829577 /nfs/dbraw/zinc/82/95/77/999829577.db2.gz MBKSYWUIWDIKMN-UHFFFAOYSA-N -2 0 420.878 3.748 20 0 HHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1)C(=O)[O-] ZINC000504686771 1000325942 /nfs/dbraw/zinc/32/59/42/1000325942.db2.gz JXSJCEKEWZJHBN-MRVPVSSYSA-N -2 0 422.347 3.877 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000505122604 1000561533 /nfs/dbraw/zinc/56/15/33/1000561533.db2.gz COLUVZJXTPLVNA-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000505279253 1000666239 /nfs/dbraw/zinc/66/62/39/1000666239.db2.gz DCIOBDLBMCRWIU-UHFFFAOYSA-N -2 0 421.368 3.883 20 0 HHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000498028596 1001612769 /nfs/dbraw/zinc/61/27/69/1001612769.db2.gz ZTFSAXKMWMUQRU-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL O=S(=O)(Nc1cc(O)c(Br)cc1Br)c1ccsc1 ZINC000507971066 1002502054 /nfs/dbraw/zinc/50/20/54/1002502054.db2.gz QVNAFDPBNVRDOQ-UHFFFAOYSA-N -2 0 413.112 3.780 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc1Cl ZINC000500315452 1003619067 /nfs/dbraw/zinc/61/90/67/1003619067.db2.gz LJPSZWXGLNCJBS-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cccs2)c1 ZINC000509566293 1003949151 /nfs/dbraw/zinc/94/91/51/1003949151.db2.gz DNVISNBBSOBFHL-UHFFFAOYSA-N -2 0 403.481 3.852 20 0 HHADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000509570675 1003952010 /nfs/dbraw/zinc/95/20/10/1003952010.db2.gz PTTPOWGQEKPYJQ-UHFFFAOYSA-N -2 0 413.879 3.701 20 0 HHADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000510138637 1004350435 /nfs/dbraw/zinc/35/04/35/1004350435.db2.gz FSWPPIAUWWGLRJ-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)c1 ZINC000512768254 1004548915 /nfs/dbraw/zinc/54/89/15/1004548915.db2.gz YLYOZCMBMCFXFN-UHFFFAOYSA-N -2 0 421.368 3.883 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000512775596 1004552123 /nfs/dbraw/zinc/55/21/23/1004552123.db2.gz AMBYEMCWSSUHCN-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(OC[C@@H]2CCCO2)c1 ZINC000512781632 1004556639 /nfs/dbraw/zinc/55/66/39/1004556639.db2.gz VEXYLUYMLGORQD-INIZCTEOSA-N -2 0 419.499 3.669 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC[C@@H]2CCCCO2)c(C)c1C(=O)[O-] ZINC000512785775 1004558814 /nfs/dbraw/zinc/55/88/14/1004558814.db2.gz OKSLMHDLEVCRRV-INIZCTEOSA-N -2 0 419.499 3.750 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000512928470 1004701835 /nfs/dbraw/zinc/70/18/35/1004701835.db2.gz HWLOWWGNIXSCIO-UHFFFAOYSA-N -2 0 413.846 3.774 20 0 HHADRL O=C([O-])CCCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000502468447 1005085088 /nfs/dbraw/zinc/08/50/88/1005085088.db2.gz LLECFFLNVFXRKH-UHFFFAOYSA-N -2 0 424.906 3.516 20 0 HHADRL CCCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1O ZINC000503532453 1005445482 /nfs/dbraw/zinc/44/54/82/1005445482.db2.gz AMBMSLCBVQDDHM-AWEZNQCLSA-N -2 0 406.504 3.966 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1C(=O)[O-] ZINC000504241903 1005580603 /nfs/dbraw/zinc/58/06/03/1005580603.db2.gz SQZMRUUIHHQRBV-UHFFFAOYSA-N -2 0 403.485 3.553 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OCC(F)(F)F ZINC000531446245 1006202169 /nfs/dbraw/zinc/20/21/69/1006202169.db2.gz CRZMEBJZZAVVID-UHFFFAOYSA-N -2 0 413.370 3.636 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000515695535 1006594128 /nfs/dbraw/zinc/59/41/28/1006594128.db2.gz FIHIJFKHZPBWMO-UHFFFAOYSA-N -2 0 420.281 3.809 20 0 HHADRL CSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1C ZINC000539193703 1007491917 /nfs/dbraw/zinc/49/19/17/1007491917.db2.gz MCTCCSCFIAYYFZ-UHFFFAOYSA-N -2 0 416.318 3.978 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)nn1-c1ccccc1 ZINC000543870015 1009437196 /nfs/dbraw/zinc/43/71/96/1009437196.db2.gz NVIAXLDSJYSQKX-UHFFFAOYSA-N -2 0 413.499 3.534 20 0 HHADRL Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000544098073 1009707352 /nfs/dbraw/zinc/70/73/52/1009707352.db2.gz DLILYFJUCKZIAV-UHFFFAOYSA-N -2 0 417.418 3.561 20 0 HHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000544098576 1009708710 /nfs/dbraw/zinc/70/87/10/1009708710.db2.gz LJZVTEBDABVRFZ-JTQLQIEISA-N -2 0 416.268 3.967 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)c(F)c1 ZINC000547335391 1010258034 /nfs/dbraw/zinc/25/80/34/1010258034.db2.gz BKMAMRYXSBFNCC-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000547612189 1010363988 /nfs/dbraw/zinc/36/39/88/1010363988.db2.gz DTIYDUCVXPAANG-UHFFFAOYSA-N -2 0 420.270 3.651 20 0 HHADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551472541 1010608026 /nfs/dbraw/zinc/60/80/26/1010608026.db2.gz TVWYKLNSPVVPNK-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c1Br ZINC000548526980 1010656829 /nfs/dbraw/zinc/65/68/29/1010656829.db2.gz VXYQKJLUYDPJEP-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c(C)c1CC(=O)[O-] ZINC000541075366 1011716167 /nfs/dbraw/zinc/71/61/67/1011716167.db2.gz SAKSJTMWCDIBKB-UHFFFAOYSA-N -2 0 409.479 3.966 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1cccc(F)c1 ZINC000541306925 1012013157 /nfs/dbraw/zinc/01/31/57/1012013157.db2.gz RXGPMHQUZAMJIS-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000523535483 1012067247 /nfs/dbraw/zinc/06/72/47/1012067247.db2.gz UYXBWPCTMLFUNI-UHFFFAOYSA-N -2 0 419.499 3.582 20 0 HHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000572460229 1073292161 /nfs/dbraw/zinc/29/21/61/1073292161.db2.gz IJZNVVSKVUKPRA-UHFFFAOYSA-N -2 0 407.341 3.840 20 0 HHADRL CCOc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000590264889 1073718834 /nfs/dbraw/zinc/71/88/34/1073718834.db2.gz SNGQXEPQQKRVCD-UHFFFAOYSA-N -2 0 420.306 3.717 20 0 HHADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000596916799 1075600347 /nfs/dbraw/zinc/60/03/47/1075600347.db2.gz CDKGDOLVMYDEDM-UHFFFAOYSA-N -2 0 424.906 3.711 20 0 HHADRL O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-])N1CCCC1 ZINC000555528901 452922669 /nfs/dbraw/zinc/92/26/69/452922669.db2.gz WSNLLUJIGQTNGL-UHFFFAOYSA-N -2 0 415.298 3.736 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C2SCCS2)c1 ZINC000013183428 962372968 /nfs/dbraw/zinc/37/29/68/962372968.db2.gz VWVMIOWUIXMBJP-UHFFFAOYSA-N -2 0 411.526 3.673 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2csc(C)n2)cc1 ZINC000057116639 965286786 /nfs/dbraw/zinc/28/67/86/965286786.db2.gz RCZFRZDXQCMOBS-UHFFFAOYSA-N -2 0 418.496 3.555 20 0 HHADRL CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(OCCC(=O)[O-])c2)C1 ZINC000058464520 965743414 /nfs/dbraw/zinc/74/34/14/965743414.db2.gz GIHDLXPXKDQFIQ-WJDWOHSUSA-N -2 0 418.449 3.773 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055577534 965932072 /nfs/dbraw/zinc/93/20/72/965932072.db2.gz HJBQEBIHPKKDOP-UHFFFAOYSA-N -2 0 416.402 3.798 20 0 HHADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)cc2)o1 ZINC000063877455 966984274 /nfs/dbraw/zinc/98/42/74/966984274.db2.gz RCHSXOLPJQTIGE-UHFFFAOYSA-N -2 0 410.810 3.942 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c(Cl)cc1F ZINC000063877955 966985081 /nfs/dbraw/zinc/98/50/81/966985081.db2.gz PNQZUCJWYITKOG-UHFFFAOYSA-N -2 0 413.854 3.905 20 0 HHADRL O=C([O-])C1(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCCCC1 ZINC000064611630 967249930 /nfs/dbraw/zinc/24/99/30/967249930.db2.gz ZJTIYACBLZPEBW-UHFFFAOYSA-N -2 0 416.499 3.851 20 0 HHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000048382734 968537231 /nfs/dbraw/zinc/53/72/31/968537231.db2.gz VNPDULALOKUNAU-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000122154206 969968601 /nfs/dbraw/zinc/96/86/01/969968601.db2.gz QATWCDMEMBHZRR-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1C(=O)[O-] ZINC000316387921 972649276 /nfs/dbraw/zinc/64/92/76/972649276.db2.gz XYBFZNJOAUYBNQ-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c(C)c1 ZINC000320150266 972676093 /nfs/dbraw/zinc/67/60/93/972676093.db2.gz JJQRDPYYVUMNES-UHFFFAOYSA-N -2 0 420.306 3.717 20 0 HHADRL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000327698960 972761145 /nfs/dbraw/zinc/76/11/45/972761145.db2.gz WFHAZWLODIJTPT-UHFFFAOYSA-N -2 0 404.271 3.681 20 0 HHADRL CCCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000392088825 972847976 /nfs/dbraw/zinc/84/79/76/972847976.db2.gz AHNJXIHCBQGJOZ-UHFFFAOYSA-N -2 0 414.277 3.737 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000410045459 973527472 /nfs/dbraw/zinc/52/74/72/973527472.db2.gz HGHAQMJFGLVVLP-UHFFFAOYSA-N -2 0 422.459 3.765 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000410363131 973955923 /nfs/dbraw/zinc/95/59/23/973955923.db2.gz FMBLWCXSGCSGMN-UHFFFAOYSA-N -2 0 420.281 3.809 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cccc1C(=O)[O-] ZINC000410404139 974004018 /nfs/dbraw/zinc/00/40/18/974004018.db2.gz UXZAHKMVLUOINF-UHFFFAOYSA-N -2 0 419.377 3.871 20 0 HHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3OC(C)C)cc2)co1 ZINC000410405957 974005479 /nfs/dbraw/zinc/00/54/79/974005479.db2.gz ZXXWYROLDHODBZ-UHFFFAOYSA-N -2 0 416.455 3.936 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])s1 ZINC000430990333 977935131 /nfs/dbraw/zinc/93/51/31/977935131.db2.gz WEDUTUVFBCLAOR-UHFFFAOYSA-N -2 0 404.307 3.935 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Br)c(C)c(C(=O)[O-])c2)s1 ZINC000430992169 977937396 /nfs/dbraw/zinc/93/73/96/977937396.db2.gz SFZLVBQVTMBNGX-UHFFFAOYSA-N -2 0 404.307 3.935 20 0 HHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)cc1Cl ZINC000432777165 978971230 /nfs/dbraw/zinc/97/12/30/978971230.db2.gz CFGXZQRDERYFSJ-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)C(C)C ZINC000433594890 979411914 /nfs/dbraw/zinc/41/19/14/979411914.db2.gz FTANWZUEHMOCDO-UHFFFAOYSA-N -2 0 418.515 3.755 20 0 HHADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000434623450 980304336 /nfs/dbraw/zinc/30/43/36/980304336.db2.gz CSHGCFJBCAAWAJ-UHFFFAOYSA-N -2 0 403.378 3.830 20 0 HHADRL CSc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000436161227 981227742 /nfs/dbraw/zinc/22/77/42/981227742.db2.gz BLPPVVDHMDKREO-UHFFFAOYSA-N -2 0 407.391 3.806 20 0 HHADRL CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000436829172 981579694 /nfs/dbraw/zinc/57/96/94/981579694.db2.gz KWDAPEUTDFSYOS-ZROIWOOFSA-N -2 0 404.422 3.713 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)c1 ZINC000436987142 981669217 /nfs/dbraw/zinc/66/92/17/981669217.db2.gz SPMANMMJDSXRSO-UHFFFAOYSA-N -2 0 407.488 3.823 20 0 HHADRL COc1cc(Oc2ccccc2)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000437909995 982457155 /nfs/dbraw/zinc/45/71/55/982457155.db2.gz UBXATYLXSGWKMW-UHFFFAOYSA-N -2 0 418.409 3.798 20 0 HHADRL CC(C)n1cc2cc(NS(=O)(=O)c3ccc(OCC(=O)[O-])c(Cl)c3)ccc2n1 ZINC000438753319 983046224 /nfs/dbraw/zinc/04/62/24/983046224.db2.gz HMXGYQLALZDTLM-UHFFFAOYSA-N -2 0 423.878 3.535 20 0 HHADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2Nc2ccccc2)c1 ZINC000440836324 983930794 /nfs/dbraw/zinc/93/07/94/983930794.db2.gz ZJCHQVYUARQGTN-UHFFFAOYSA-N -2 0 412.423 3.627 20 0 HHADRL COc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)oc1ccccc12 ZINC000462071103 985042762 /nfs/dbraw/zinc/04/27/62/985042762.db2.gz KACAIJGEVUMJJG-UHFFFAOYSA-N -2 0 401.396 3.995 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C)c1 ZINC000462073311 985045512 /nfs/dbraw/zinc/04/55/12/985045512.db2.gz LGJBNFXPPJBAAV-UHFFFAOYSA-N -2 0 414.439 3.648 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c(Cl)c1 ZINC000462075195 985046824 /nfs/dbraw/zinc/04/68/24/985046824.db2.gz QKBJVAGHEFZBNL-UHFFFAOYSA-N -2 0 408.785 3.813 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000462098012 985068603 /nfs/dbraw/zinc/06/86/03/985068603.db2.gz BGFBVBKCVLCMAO-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL COc1cc(C)c(Br)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000462378985 985362668 /nfs/dbraw/zinc/36/26/68/985362668.db2.gz GDTJJFKNDHVBLS-UHFFFAOYSA-N -2 0 414.277 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ZINC000463792480 986784094 /nfs/dbraw/zinc/78/40/94/986784094.db2.gz XXDXTVPJQQKJMW-UHFFFAOYSA-N -2 0 417.892 3.578 20 0 HHADRL COc1cc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])ccc1OCCC(=O)[O-] ZINC000470246486 988188235 /nfs/dbraw/zinc/18/82/35/988188235.db2.gz GCYUPXMOIMYWIS-CLFYSBASSA-N -2 0 420.421 3.874 20 0 HHADRL Cc1ccc(-c2cnc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)s2)c(C)c1 ZINC000470357206 988323336 /nfs/dbraw/zinc/32/33/36/988323336.db2.gz XNLYXTQHVJVLFT-UHFFFAOYSA-N -2 0 407.455 3.737 20 0 HHADRL CCc1cccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)c1 ZINC000464426919 988598875 /nfs/dbraw/zinc/59/88/75/988598875.db2.gz OCPLYLBANKJSMR-UHFFFAOYSA-N -2 0 416.524 3.851 20 0 HHADRL CCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000464543884 988720741 /nfs/dbraw/zinc/72/07/41/988720741.db2.gz MGEZPNMZZQFJST-UHFFFAOYSA-N -2 0 406.243 3.597 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)cc1 ZINC000471597459 989800890 /nfs/dbraw/zinc/80/08/90/989800890.db2.gz OZDSPDGIIRPCTQ-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3Cl)c2)cc1 ZINC000473438334 994288051 /nfs/dbraw/zinc/28/80/51/994288051.db2.gz ZYBFZKDXYFGNAA-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1OC ZINC000473443088 994292521 /nfs/dbraw/zinc/29/25/21/994292521.db2.gz KMELIRBXQBQQBC-UHFFFAOYSA-N -2 0 424.233 3.649 20 0 HHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)cc1 ZINC000481949928 994830245 /nfs/dbraw/zinc/83/02/45/994830245.db2.gz ABUMHBXPNFUKMJ-UHFFFAOYSA-N -2 0 423.796 3.709 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)sc1C(=O)[O-] ZINC000481951557 994832731 /nfs/dbraw/zinc/83/27/31/994832731.db2.gz GMDSBVSKNYAWMM-UHFFFAOYSA-N -2 0 403.481 3.852 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1csc(C)n1 ZINC000475825470 996395517 /nfs/dbraw/zinc/39/55/17/996395517.db2.gz HESAEKNQGBMOFJ-UHFFFAOYSA-N -2 0 404.469 3.626 20 0 HHADRL Cc1ccc(-c2ccc(C)c(NS(=O)(=O)c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2)o1 ZINC000475830928 996399495 /nfs/dbraw/zinc/39/94/95/996399495.db2.gz NTXQJJVGOKTCSO-UHFFFAOYSA-N -2 0 415.423 3.761 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Br)sc2Cl)ccc1F ZINC000484536942 996870201 /nfs/dbraw/zinc/87/02/01/996870201.db2.gz XWGNQQJPGSETKG-UHFFFAOYSA-N -2 0 414.661 3.802 20 0 HHADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000476420594 996885859 /nfs/dbraw/zinc/88/58/59/996885859.db2.gz DKZXZXIIKLEBDX-SNVBAGLBSA-N -2 0 414.277 3.656 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC(C)(C)C)c1C ZINC000476423354 996890583 /nfs/dbraw/zinc/89/05/83/996890583.db2.gz OASOASQKJUFWOG-UHFFFAOYSA-N -2 0 421.515 3.747 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C)c1Br ZINC000484574998 996907997 /nfs/dbraw/zinc/90/79/97/996907997.db2.gz YDIVMBCYQXSMNX-UHFFFAOYSA-N -2 0 416.318 3.978 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1OC ZINC000484960583 997337399 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3.515 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)c(Cl)cc1C(=O)[O-] ZINC000485292907 997694790 /nfs/dbraw/zinc/69/47/90/997694790.db2.gz PVASERRIJSUTPK-UHFFFAOYSA-N -2 0 413.879 3.882 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(OC(F)(F)F)c1 ZINC000486082192 998528891 /nfs/dbraw/zinc/52/88/91/998528891.db2.gz PARJHDXOVFDOOL-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1C ZINC000486085885 998532920 /nfs/dbraw/zinc/53/29/20/998532920.db2.gz JGGNSNXRDVBJID-SECBINFHSA-N -2 0 421.397 3.560 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C(C)C)cc1C(=O)[O-] ZINC000486090875 998538481 /nfs/dbraw/zinc/53/84/81/998538481.db2.gz OMEUJGAALNWSSD-UHFFFAOYSA-N -2 0 415.471 3.503 20 0 HHADRL CSCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1 ZINC000486102962 998550165 /nfs/dbraw/zinc/55/01/65/998550165.db2.gz SMVFBMKMJSBCJV-UHFFFAOYSA-N -2 0 421.418 3.947 20 0 HHADRL CC(C)c1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000486109637 998556754 /nfs/dbraw/zinc/55/67/54/998556754.db2.gz LEFRXQYBKMEQQY-UHFFFAOYSA-N -2 0 403.435 3.634 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000479229275 999334727 /nfs/dbraw/zinc/33/47/27/999334727.db2.gz ATVQZBUZIHMDES-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1C(=O)[O-] ZINC000479243044 999342161 /nfs/dbraw/zinc/34/21/61/999342161.db2.gz AAXWEBNYWKOGKK-UHFFFAOYSA-N -2 0 405.806 3.791 20 0 HHADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479257490 999351047 /nfs/dbraw/zinc/35/10/47/999351047.db2.gz HONJVXMMLCUWDH-UHFFFAOYSA-N -2 0 418.254 3.807 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)cc1C(=O)[O-] ZINC000479275929 999360006 /nfs/dbraw/zinc/36/00/06/999360006.db2.gz BPEMPOXPRTUXPP-UHFFFAOYSA-N -2 0 424.906 3.676 20 0 HHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1)C(=O)[O-] ZINC000489313659 999743888 /nfs/dbraw/zinc/74/38/88/999743888.db2.gz NSSBGRWKXLODSM-GFCCVEGCSA-N -2 0 402.394 3.555 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1cccc(Cl)c1 ZINC000480245334 999755153 /nfs/dbraw/zinc/75/51/53/999755153.db2.gz IERLCAYNGXNZGU-UHFFFAOYSA-N -2 0 411.892 3.649 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cnn1-c1cccc(C)c1 ZINC000480254700 999757352 /nfs/dbraw/zinc/75/73/52/999757352.db2.gz XPUUCMXOVDPLQM-UHFFFAOYSA-N -2 0 413.499 3.859 20 0 HHADRL Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)n1 ZINC000489737874 999828253 /nfs/dbraw/zinc/82/82/53/999828253.db2.gz NFUIIUJCXWPYKP-UHFFFAOYSA-N -2 0 403.847 3.604 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)c(Cl)c1 ZINC000489779508 999836630 /nfs/dbraw/zinc/83/66/30/999836630.db2.gz ZJSAGVJZMWLCAM-UHFFFAOYSA-N -2 0 417.830 3.975 20 0 HHADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000504703093 1000332971 /nfs/dbraw/zinc/33/29/71/1000332971.db2.gz MLYRDMBKCBDXHJ-SNVBAGLBSA-N -2 0 401.893 3.715 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000505127970 1000564751 /nfs/dbraw/zinc/56/47/51/1000564751.db2.gz HRKPHXQDVAFTSU-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c(SCCC(=O)[O-])c1 ZINC000507953109 1002485938 /nfs/dbraw/zinc/48/59/38/1002485938.db2.gz ULLXEXQLZGFLPE-UHFFFAOYSA-N -2 0 423.409 3.919 20 0 HHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1n[nH]c(C(C)C)n1 ZINC000509557719 1003943956 /nfs/dbraw/zinc/94/39/56/1003943956.db2.gz MEAITSBXFNLZQG-UHFFFAOYSA-N -2 0 418.450 3.542 20 0 HHADRL CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000509560797 1003945929 /nfs/dbraw/zinc/94/59/29/1003945929.db2.gz XZSLRSSLPALXLS-UHFFFAOYSA-N -2 0 412.414 3.546 20 0 HHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000509571483 1003952796 /nfs/dbraw/zinc/95/27/96/1003952796.db2.gz SHYQKNAMROREAC-UHFFFAOYSA-N -2 0 417.842 3.532 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(OC[C@H]2CCCO2)c1 ZINC000512781633 1004556762 /nfs/dbraw/zinc/55/67/62/1004556762.db2.gz VEXYLUYMLGORQD-MRXNPFEDSA-N -2 0 419.499 3.669 20 0 HHADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C)O[C@H](C)C2 ZINC000512781851 1004556941 /nfs/dbraw/zinc/55/69/41/1004556941.db2.gz YWMMGGSUMIIOSH-GFCCVEGCSA-N -2 0 405.472 3.525 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c1 ZINC000512786311 1004559333 /nfs/dbraw/zinc/55/93/33/1004559333.db2.gz YNKCNZQEZAYIAW-UHFFFAOYSA-N -2 0 402.403 3.820 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)c(C)c1C(=O)[O-] ZINC000512794738 1004562533 /nfs/dbraw/zinc/56/25/33/1004562533.db2.gz IFTISVPHOGZDAI-UHFFFAOYSA-N -2 0 421.368 3.883 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)c1 ZINC000512795526 1004563226 /nfs/dbraw/zinc/56/32/26/1004563226.db2.gz VCPZPGASCMTRNA-UHFFFAOYSA-N -2 0 421.475 3.518 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)NC(C)C)cc1C(=O)[O-] ZINC000511123505 1005030788 /nfs/dbraw/zinc/03/07/88/1005030788.db2.gz STKWQHFOFPBCSO-UHFFFAOYSA-N -2 0 424.906 3.594 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000511711306 1005287659 /nfs/dbraw/zinc/28/76/59/1005287659.db2.gz FPNGVLFZFDRWBH-KRWDZBQOSA-N -2 0 419.499 3.614 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cs3)cc2)cc1C(=O)[O-] ZINC000504274790 1005587432 /nfs/dbraw/zinc/58/74/32/1005587432.db2.gz NPCNIUUREWLVGJ-UHFFFAOYSA-N -2 0 423.541 3.923 20 0 HHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000533165967 1007504364 /nfs/dbraw/zinc/50/43/64/1007504364.db2.gz FSKWOAAVSUVMPT-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000535894920 1007915365 /nfs/dbraw/zinc/91/53/65/1007915365.db2.gz JUGJVFZTYRSDLX-UHFFFAOYSA-N -2 0 413.426 3.905 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCC2)cc1C ZINC000517924649 1008058791 /nfs/dbraw/zinc/05/87/91/1008058791.db2.gz BTFNDQHRKBUINY-UHFFFAOYSA-N -2 0 422.528 3.536 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)nn1[C@@H](C)C1CC1 ZINC000543160230 1008732081 /nfs/dbraw/zinc/73/20/81/1008732081.db2.gz SRBQKWSGGLWVNX-HNNXBMFYSA-N -2 0 421.519 3.515 20 0 HHADRL N#CCCSc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000519401015 1008787404 /nfs/dbraw/zinc/78/74/04/1008787404.db2.gz ATAPPJJGCSBVDI-UHFFFAOYSA-N -2 0 419.406 3.538 20 0 HHADRL Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)c(C(=O)[O-])c1 ZINC000543446468 1009032421 /nfs/dbraw/zinc/03/24/21/1009032421.db2.gz IMHDGNHQORAPAS-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000543651004 1009255995 /nfs/dbraw/zinc/25/59/95/1009255995.db2.gz PINYSRDUUQKKIU-VIFPVBQESA-N -2 0 418.334 3.883 20 0 HHADRL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000547560087 1010349428 /nfs/dbraw/zinc/34/94/28/1010349428.db2.gz PUERRXRRWITJDU-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])s1 ZINC000547877583 1010458938 /nfs/dbraw/zinc/45/89/38/1010458938.db2.gz MREFQQURRNQEOM-UHFFFAOYSA-N -2 0 408.270 3.766 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c(OC(F)(F)F)c1 ZINC000548283115 1010579540 /nfs/dbraw/zinc/57/95/40/1010579540.db2.gz RIFFWIKBCBAWKD-UHFFFAOYSA-N -2 0 401.318 3.830 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)cc1 ZINC000545121245 1010628354 /nfs/dbraw/zinc/62/83/54/1010628354.db2.gz HCGYTWZFQKXCRH-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)cc(C(=O)[O-])c1C ZINC000536302767 1011491987 /nfs/dbraw/zinc/49/19/87/1011491987.db2.gz RICUAJWNHBMONF-UHFFFAOYSA-N -2 0 401.435 3.593 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(F)F ZINC000536302870 1011492288 /nfs/dbraw/zinc/49/22/88/1011492288.db2.gz ISDVTPUUBLLHAM-UHFFFAOYSA-N -2 0 401.435 3.538 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)cc(Cl)c1O ZINC000536413225 1011627837 /nfs/dbraw/zinc/62/78/37/1011627837.db2.gz AOYGWQARTCVFQN-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c(C)c1C(=O)[O-] ZINC000536900680 1012158627 /nfs/dbraw/zinc/15/86/27/1012158627.db2.gz KNANOSBTAOMBJZ-UHFFFAOYSA-N -2 0 403.378 3.585 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)nn1-c1ccccc1Cl ZINC000537396150 1012878270 /nfs/dbraw/zinc/87/82/70/1012878270.db2.gz ZNRBLBWNLRKVKT-UHFFFAOYSA-N -2 0 419.890 3.652 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)OCC(C)C)c1 ZINC000729665660 1071781242 /nfs/dbraw/zinc/78/12/42/1071781242.db2.gz IYRGBMCLQDTBMJ-UHFFFAOYSA-N -2 0 412.489 3.760 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C(=O)[O-])c1 ZINC000587994590 1072735351 /nfs/dbraw/zinc/73/53/51/1072735351.db2.gz DBTAHKGSOXWWJG-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000591679592 1074484212 /nfs/dbraw/zinc/48/42/12/1074484212.db2.gz UMJVZRLTOXHBNP-UHFFFAOYSA-N -2 0 421.525 3.805 20 0 HHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000591683329 1074486239 /nfs/dbraw/zinc/48/62/39/1074486239.db2.gz SLGTXGAJHCDYEK-UHFFFAOYSA-N -2 0 416.430 3.607 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1-c1cccc(F)c1 ZINC000542234454 1013190611 /nfs/dbraw/zinc/19/06/11/1013190611.db2.gz HUUPRYOPCSDOEW-UHFFFAOYSA-N -2 0 423.491 3.833 20 0 HHADRL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000013264877 962380928 /nfs/dbraw/zinc/38/09/28/962380928.db2.gz TVRVIUJWAQIBSF-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1OC ZINC000013340841 962388250 /nfs/dbraw/zinc/38/82/50/962388250.db2.gz IAKOETCZPUTRPN-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1 ZINC000054294844 965463749 /nfs/dbraw/zinc/46/37/49/965463749.db2.gz JGJXISWFCMSYMY-UHFFFAOYSA-N -2 0 411.479 3.714 20 0 HHADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000058494326 965755373 /nfs/dbraw/zinc/75/53/73/965755373.db2.gz SJKOBASAPHHGDT-UHFFFAOYSA-N -2 0 424.645 3.844 20 0 HHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000032098188 966193825 /nfs/dbraw/zinc/19/38/25/966193825.db2.gz UEKYDSXPCAVWPG-UHFFFAOYSA-N -2 0 424.478 3.757 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000035604561 966421464 /nfs/dbraw/zinc/42/14/64/966421464.db2.gz WJXDDMFNAUTIJA-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1F ZINC000064478035 967204731 /nfs/dbraw/zinc/20/47/31/967204731.db2.gz RFPMRJGCJZAUAU-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)s1 ZINC000064478026 967204782 /nfs/dbraw/zinc/20/47/82/967204782.db2.gz DKXQHWDJOUIMES-UHFFFAOYSA-N -2 0 422.553 3.912 20 0 HHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)c1 ZINC000048382650 968537277 /nfs/dbraw/zinc/53/72/77/968537277.db2.gz QISSMSAWMWKIRY-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)sc1Br ZINC000149482251 970399607 /nfs/dbraw/zinc/39/96/07/970399607.db2.gz JEJSSBXABKVHFH-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000316269941 972649543 /nfs/dbraw/zinc/64/95/43/972649543.db2.gz BEUZINUXHTWAPE-UHFFFAOYSA-N -2 0 404.307 3.674 20 0 HHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000316574044 972650970 /nfs/dbraw/zinc/65/09/70/972650970.db2.gz PTFLKVRRRXZKAS-UHFFFAOYSA-N -2 0 404.307 3.674 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000319051297 972668122 /nfs/dbraw/zinc/66/81/22/972668122.db2.gz VODYAIPFXOXMKC-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)c1 ZINC000322185442 972697485 /nfs/dbraw/zinc/69/74/85/972697485.db2.gz AHVJXRHKJZGATK-UHFFFAOYSA-N -2 0 413.274 3.558 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(Cl)c1 ZINC000323108517 972708170 /nfs/dbraw/zinc/70/81/70/972708170.db2.gz OJCOFDUXULPBCK-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000324574266 972723353 /nfs/dbraw/zinc/72/33/53/972723353.db2.gz XPTPYWANVZWHMR-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL CCc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000325306066 972730799 /nfs/dbraw/zinc/73/07/99/972730799.db2.gz RBQOZGNZHJTJMZ-UHFFFAOYSA-N -2 0 414.277 3.519 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)c(C)c1O ZINC000326523057 972743469 /nfs/dbraw/zinc/74/34/69/972743469.db2.gz VBMWENZSXOJFEH-UHFFFAOYSA-N -2 0 414.277 3.579 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c(Br)c1 ZINC000327127828 972754672 /nfs/dbraw/zinc/75/46/72/972754672.db2.gz QAMHABPAEAIQHV-UHFFFAOYSA-N -2 0 423.244 3.603 20 0 HHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000390318810 972821780 /nfs/dbraw/zinc/82/17/80/972821780.db2.gz XHQNTLKYBXPIDD-UHFFFAOYSA-N -2 0 420.306 3.717 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)cc1 ZINC000410351104 973939625 /nfs/dbraw/zinc/93/96/25/973939625.db2.gz DIDFYWKTCCYMLM-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cccc1C(=O)[O-] ZINC000410398028 973997294 /nfs/dbraw/zinc/99/72/94/973997294.db2.gz NMPMSLAADXQUTK-UHFFFAOYSA-N -2 0 419.377 3.871 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000425987208 974099498 /nfs/dbraw/zinc/09/94/98/974099498.db2.gz YRUWOFMJGKXAJG-UHFFFAOYSA-N -2 0 408.501 3.766 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cc4ccccc4s3)[nH]n2)cs1 ZINC000432489440 978844676 /nfs/dbraw/zinc/84/46/76/978844676.db2.gz KZXCSZSFZLMMCQ-UHFFFAOYSA-N -2 0 405.482 3.852 20 0 HHADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000433529705 979360600 /nfs/dbraw/zinc/36/06/00/979360600.db2.gz KRIGMCIQVSQCEK-UHFFFAOYSA-N -2 0 405.472 3.570 20 0 HHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436032393 981169482 /nfs/dbraw/zinc/16/94/82/981169482.db2.gz ZRVGZSGCZBBPBF-UHFFFAOYSA-N -2 0 403.847 3.604 20 0 HHADRL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000436644625 981490395 /nfs/dbraw/zinc/49/03/95/981490395.db2.gz WMUJGCGPIQPHDB-UHFFFAOYSA-N -2 0 409.627 3.551 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cccnc2-c2csc(C)c2)cc1C(=O)[O-] ZINC000437679818 982293212 /nfs/dbraw/zinc/29/32/12/982293212.db2.gz JXACUGFNEWYBMJ-UHFFFAOYSA-N -2 0 404.469 3.626 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000460827650 982578760 /nfs/dbraw/zinc/57/87/60/982578760.db2.gz KRXVMTCIEBNESC-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL CCc1ccc([N-]S(=O)(=O)c2sc(C)cc2Br)c(C(=O)[O-])c1 ZINC000460836300 982585553 /nfs/dbraw/zinc/58/55/53/982585553.db2.gz AZZQPSDLLSGDOY-UHFFFAOYSA-N -2 0 404.307 3.880 20 0 HHADRL Cc1c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C(C)(C)C)cc2nn1C ZINC000461332064 983022747 /nfs/dbraw/zinc/02/27/47/983022747.db2.gz NBRZZOIWLAIIQN-UHFFFAOYSA-N -2 0 407.517 3.740 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1OCC(F)(F)F ZINC000438778524 983065941 /nfs/dbraw/zinc/06/59/41/983065941.db2.gz MEFSYYZGTCRODQ-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL O=C([O-])c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc(C(F)(F)F)c1 ZINC000438800381 983079110 /nfs/dbraw/zinc/07/91/10/983079110.db2.gz MNMHPDWJSVKEGN-UHFFFAOYSA-N -2 0 423.752 3.556 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)cc1 ZINC000443526416 985697451 /nfs/dbraw/zinc/69/74/51/985697451.db2.gz DQDOEPUWUCSFCQ-UHFFFAOYSA-N -2 0 407.341 3.656 20 0 HHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)cc1 ZINC000443529929 985701788 /nfs/dbraw/zinc/70/17/88/985701788.db2.gz MLPYYMJACTYXEG-UHFFFAOYSA-N -2 0 421.368 3.585 20 0 HHADRL Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000468164529 985842412 /nfs/dbraw/zinc/84/24/12/985842412.db2.gz MVNUPHNIEQMBIS-CQSZACIVSA-N -2 0 407.474 3.684 20 0 HHADRL COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000468348016 986044354 /nfs/dbraw/zinc/04/43/54/986044354.db2.gz AQDDTEGIJOJJNM-LBPRGKRZSA-N -2 0 413.879 3.561 20 0 HHADRL CSc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)cc1Cl ZINC000463508896 986484790 /nfs/dbraw/zinc/48/47/90/986484790.db2.gz IWRWSCPNOBBNAC-UHFFFAOYSA-N -2 0 423.903 3.747 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c(Cl)cc1C(=O)[O-] ZINC000468835563 986545639 /nfs/dbraw/zinc/54/56/39/986545639.db2.gz FJFBDLPPPJQHIU-UHFFFAOYSA-N -2 0 411.863 3.561 20 0 HHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000463778506 986768958 /nfs/dbraw/zinc/76/89/58/986768958.db2.gz BCRJHCIUALNPEG-UHFFFAOYSA-N -2 0 416.455 3.531 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c3cccnc23)cc1C(=O)[O-] ZINC000463784200 986774512 /nfs/dbraw/zinc/77/45/12/986774512.db2.gz DSXVTOACELXEHH-UHFFFAOYSA-N -2 0 416.455 3.531 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)cc1 ZINC000471619745 989825077 /nfs/dbraw/zinc/82/50/77/989825077.db2.gz GXJBBDSTDHEMJC-UHFFFAOYSA-N -2 0 422.659 3.670 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000471956829 990122349 /nfs/dbraw/zinc/12/23/49/990122349.db2.gz GNNKYGLZLLMHGV-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000471976297 990142365 /nfs/dbraw/zinc/14/23/65/990142365.db2.gz FCDCQTQGHQFUII-UHFFFAOYSA-N -2 0 415.267 3.502 20 0 HHADRL Cn1c2ccccc2nc1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000467081470 992387964 /nfs/dbraw/zinc/38/79/64/992387964.db2.gz QAIYUGKHSAKHJC-UHFFFAOYSA-N -2 0 413.480 3.801 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)c(Cl)cc1C(=O)[O-] ZINC000484199327 996631804 /nfs/dbraw/zinc/63/18/04/996631804.db2.gz HWNXUMMCBMLOSE-UHFFFAOYSA-N -2 0 417.842 3.774 20 0 HHADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000484501559 996827591 /nfs/dbraw/zinc/82/75/91/996827591.db2.gz OQGIRDVKDVOQOS-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000484559752 996893219 /nfs/dbraw/zinc/89/32/19/996893219.db2.gz GAYPNHXBNOCBDU-UHFFFAOYSA-N -2 0 420.281 3.809 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])c1F ZINC000484930096 997305150 /nfs/dbraw/zinc/30/51/50/997305150.db2.gz ZLXVHBIYWPZIAS-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000484955359 997332934 /nfs/dbraw/zinc/33/29/34/997332934.db2.gz GRSCAQRQIYJQCI-UHFFFAOYSA-N -2 0 419.377 3.871 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1Br ZINC000484976142 997343097 /nfs/dbraw/zinc/34/30/97/997343097.db2.gz MOABAZZILDEUGP-UHFFFAOYSA-N -2 0 412.305 3.921 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000484975623 997343140 /nfs/dbraw/zinc/34/31/40/997343140.db2.gz YTSCOBLFEFSINF-UHFFFAOYSA-N -2 0 404.271 3.820 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000484979087 997344311 /nfs/dbraw/zinc/34/43/11/997344311.db2.gz UBTVRNQKDUHEFE-UHFFFAOYSA-N -2 0 404.271 3.820 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000484992500 997353774 /nfs/dbraw/zinc/35/37/74/997353774.db2.gz ZZKMGABFRWCXDN-UHFFFAOYSA-N -2 0 401.387 3.574 20 0 HHADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)c1 ZINC000485261700 997654482 /nfs/dbraw/zinc/65/44/82/997654482.db2.gz HFNAENBSLQPRDQ-UHFFFAOYSA-N -2 0 414.414 3.577 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)c(Cl)cc1C(=O)[O-] ZINC000485270130 997663971 /nfs/dbraw/zinc/66/39/71/997663971.db2.gz UJGPREVQGLADAQ-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c(Cl)cc1C(=O)[O-] ZINC000485275396 997670098 /nfs/dbraw/zinc/67/00/98/997670098.db2.gz SKIMABYYIKJLGE-UHFFFAOYSA-N -2 0 423.796 3.952 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(Cl)cc1C(=O)[O-] ZINC000485281717 997677411 /nfs/dbraw/zinc/67/74/11/997677411.db2.gz WGTHZWJZTACTAU-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2Br)cccc1C(=O)[O-] ZINC000485393490 997821305 /nfs/dbraw/zinc/82/13/05/997821305.db2.gz AUHJCJPLMNTOGX-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000485431563 997869694 /nfs/dbraw/zinc/86/96/94/997869694.db2.gz YGMKMXAFYUMVAI-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)n1 ZINC000477436524 998133252 /nfs/dbraw/zinc/13/32/52/998133252.db2.gz QCGNNZMHOBFYRH-UHFFFAOYSA-N -2 0 414.487 3.507 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000486076591 998524148 /nfs/dbraw/zinc/52/41/48/998524148.db2.gz DHQMPDQGEZHWGG-UHFFFAOYSA-N -2 0 409.508 3.560 20 0 HHADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486082158 998529255 /nfs/dbraw/zinc/52/92/55/998529255.db2.gz OUTIQEYJNJSMNE-UHFFFAOYSA-N -2 0 423.340 3.622 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cc1C(=O)[O-] ZINC000486491478 998792580 /nfs/dbraw/zinc/79/25/80/998792580.db2.gz VGTNCTMDXVCLIK-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccc12 ZINC000479196837 999321651 /nfs/dbraw/zinc/32/16/51/999321651.db2.gz TUIMFOQUGHNDGF-UHFFFAOYSA-N -2 0 402.325 3.825 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000479251562 999347253 /nfs/dbraw/zinc/34/72/53/999347253.db2.gz BEOJTCQORKCAIZ-UHFFFAOYSA-N -2 0 411.863 3.510 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)cc1C(=O)[O-] ZINC000479263676 999353914 /nfs/dbraw/zinc/35/39/14/999353914.db2.gz PTNZQCDYIBNFES-UHFFFAOYSA-N -2 0 421.853 3.938 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(OC(F)(F)F)c1 ZINC000488317511 999437496 /nfs/dbraw/zinc/43/74/96/999437496.db2.gz JJGXUIAROWYKHJ-UHFFFAOYSA-N -2 0 418.374 3.694 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(OC(F)(F)F)c1 ZINC000488329372 999443141 /nfs/dbraw/zinc/44/31/41/999443141.db2.gz YAACRERRVSKZSH-UHFFFAOYSA-N -2 0 415.267 3.502 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc1Cl ZINC000479576081 999486347 /nfs/dbraw/zinc/48/63/47/999486347.db2.gz DQOJQIPGLZTEPM-UHFFFAOYSA-N -2 0 420.270 3.818 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2OC)cc1C(=O)[O-] ZINC000480193770 999741319 /nfs/dbraw/zinc/74/13/19/999741319.db2.gz DWZGUFXIJZJYKN-UHFFFAOYSA-N -2 0 420.270 3.900 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cnn1-c1cccc(Cl)c1 ZINC000480234212 999752651 /nfs/dbraw/zinc/75/26/51/999752651.db2.gz VPGDYRYTOMCFCZ-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cnn1-c1ccccc1C ZINC000480246015 999755409 /nfs/dbraw/zinc/75/54/09/999755409.db2.gz JWYGNHBUONLIBZ-UHFFFAOYSA-N -2 0 413.499 3.859 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1-c1ccc(Cl)cc1 ZINC000480249637 999756297 /nfs/dbraw/zinc/75/62/97/999756297.db2.gz PWXUBGANAMYVQY-UHFFFAOYSA-N -2 0 423.853 3.726 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1)C(=O)[O-] ZINC000489405761 999760241 /nfs/dbraw/zinc/76/02/41/999760241.db2.gz HZFFKHIGWZLBAC-JTQLQIEISA-N -2 0 421.368 3.788 20 0 HHADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489711406 999822594 /nfs/dbraw/zinc/82/25/94/999822594.db2.gz GCSRLWBCAGOFQK-UHFFFAOYSA-N -2 0 412.876 3.766 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C(F)(F)F)c1 ZINC000489751954 999831098 /nfs/dbraw/zinc/83/10/98/999831098.db2.gz IYOPTRPRBZCZRX-UHFFFAOYSA-N -2 0 407.341 3.742 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)cc1F ZINC000489759253 999832492 /nfs/dbraw/zinc/83/24/92/999832492.db2.gz XXIROGZCCRSHOV-UHFFFAOYSA-N -2 0 409.382 3.821 20 0 HHADRL 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CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000325057515 972728214 /nfs/dbraw/zinc/72/82/14/972728214.db2.gz RUSOLIMGSALFSV-UHFFFAOYSA-N -2 0 414.277 3.737 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(Br)c1 ZINC000389586122 972813961 /nfs/dbraw/zinc/81/39/61/972813961.db2.gz GKVZPDJKQZJKKD-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Br)c1C ZINC000391527997 972840990 /nfs/dbraw/zinc/84/09/90/972840990.db2.gz FWUFLIGLJKYHLP-UHFFFAOYSA-N -2 0 419.684 3.613 20 0 HHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410377182 973974774 /nfs/dbraw/zinc/97/47/74/973974774.db2.gz YJAFRRSRLBFUST-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cccc1C(=O)[O-] ZINC000410400856 974000719 /nfs/dbraw/zinc/00/07/19/974000719.db2.gz JWDLJQSJOFKRLE-UHFFFAOYSA-N -2 0 403.378 3.992 20 0 HHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410402364 974002307 /nfs/dbraw/zinc/00/23/07/974002307.db2.gz ZSHUCDXUABEKQD-SNVBAGLBSA-N -2 0 416.268 3.967 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c(Cl)cc1C(=O)[O-] ZINC000427318645 975048630 /nfs/dbraw/zinc/04/86/30/975048630.db2.gz AUXZPRXZJVPCQY-UHFFFAOYSA-N -2 0 422.846 3.811 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000431906725 978591451 /nfs/dbraw/zinc/59/14/51/978591451.db2.gz HXVRLPRJPOVJEU-UHFFFAOYSA-N -2 0 405.501 3.694 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccc(F)cc1 ZINC000432085496 978674492 /nfs/dbraw/zinc/67/44/92/978674492.db2.gz PVIJQPPZJVRHRP-UHFFFAOYSA-N -2 0 409.464 3.524 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000432688892 978937377 /nfs/dbraw/zinc/93/73/77/978937377.db2.gz GDJRSUNRNARZGS-UHFFFAOYSA-N -2 0 411.451 3.774 20 0 HHADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000434628247 980307103 /nfs/dbraw/zinc/30/71/03/980307103.db2.gz OSVYERPDNKHVNF-UHFFFAOYSA-N -2 0 403.378 3.830 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C(C)C)c1 ZINC000436691596 981515396 /nfs/dbraw/zinc/51/53/96/981515396.db2.gz UWDOEPTZTVSZIP-UHFFFAOYSA-N -2 0 409.508 3.566 20 0 HHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)c1 ZINC000436994559 981673974 /nfs/dbraw/zinc/67/39/74/981673974.db2.gz NEHYRKVLUTUWGD-UHFFFAOYSA-N -2 0 420.830 3.732 20 0 HHADRL Cc1c(CSC(C)C)cccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000460840065 982588283 /nfs/dbraw/zinc/58/82/83/982588283.db2.gz MPGXCDJUNNEZLX-UHFFFAOYSA-N -2 0 423.512 3.834 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000440308611 983714516 /nfs/dbraw/zinc/71/45/16/983714516.db2.gz HXULAZODEIXYBP-UHFFFAOYSA-N -2 0 403.378 3.689 20 0 HHADRL COc1ccc(-c2nc3ccccc3[nH]2)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000443423860 985580856 /nfs/dbraw/zinc/58/08/56/985580856.db2.gz SHQWBCXSUORDLQ-UHFFFAOYSA-N -2 0 423.450 3.738 20 0 HHADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c(O)c1 ZINC000443532820 985703921 /nfs/dbraw/zinc/70/39/21/985703921.db2.gz USTWQMLHNGWYFI-UHFFFAOYSA-N -2 0 413.879 3.607 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468085951 985743836 /nfs/dbraw/zinc/74/38/36/985743836.db2.gz DQZGYAAYHHTYHI-UHFFFAOYSA-N -2 0 406.373 3.928 20 0 HHADRL CCc1sc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)nc1-c1ccccc1 ZINC000468603353 986315052 /nfs/dbraw/zinc/31/50/52/986315052.db2.gz SXLATRDZNIVPIO-UHFFFAOYSA-N -2 0 407.455 3.683 20 0 HHADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])c1 ZINC000463375692 986342239 /nfs/dbraw/zinc/34/22/39/986342239.db2.gz HTOUDIDZEWFNEL-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000463376385 986343316 /nfs/dbraw/zinc/34/33/16/986343316.db2.gz JUXRYZNIUTXCAG-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)n1 ZINC000468982765 986688971 /nfs/dbraw/zinc/68/89/71/986688971.db2.gz NGGWDWHASUZTQF-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cc(C(=O)Nc2c(F)cccc2Oc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469341883 987048529 /nfs/dbraw/zinc/04/85/29/987048529.db2.gz OUMKSVSSSHUETP-UHFFFAOYSA-N -2 0 406.373 3.928 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469592736 987258076 /nfs/dbraw/zinc/25/80/76/987258076.db2.gz KBHRPPFULGGAAC-UHFFFAOYSA-N -2 0 423.816 3.837 20 0 HHADRL Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc(C(=O)[O-])c1C ZINC000471134900 989244835 /nfs/dbraw/zinc/24/48/35/989244835.db2.gz WTTRNNSRMRYUNP-UHFFFAOYSA-N -2 0 417.361 3.519 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(F)c(Br)cc2C)c1 ZINC000471985323 990152260 /nfs/dbraw/zinc/15/22/60/990152260.db2.gz KTPUVECCLHTELO-UHFFFAOYSA-N -2 0 420.231 3.843 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000466281750 991528522 /nfs/dbraw/zinc/52/85/22/991528522.db2.gz VYCMETXRSFPPBY-UHFFFAOYSA-N -2 0 404.469 3.530 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1OC ZINC000467318542 992640254 /nfs/dbraw/zinc/64/02/54/992640254.db2.gz BVSXZZFOHGHHSG-UHFFFAOYSA-N -2 0 407.488 3.791 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCCc2ccccc2)c1 ZINC000467753265 992998898 /nfs/dbraw/zinc/99/88/98/992998898.db2.gz ORPWKXNLUWAVAZ-UHFFFAOYSA-N -2 0 415.467 3.846 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)c(O)c1 ZINC000467764152 993007545 /nfs/dbraw/zinc/00/75/45/993007545.db2.gz ZESOTVIGFJGTMA-UHFFFAOYSA-N -2 0 405.472 3.850 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)sc1C(=O)[O-] ZINC000481432467 994267640 /nfs/dbraw/zinc/26/76/40/994267640.db2.gz GEWZMQAMNVEUBQ-UHFFFAOYSA-N -3 0 410.256 3.561 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473439855 994289091 /nfs/dbraw/zinc/28/90/91/994289091.db2.gz HSQOUBFRTJECTP-UHFFFAOYSA-N -2 0 422.261 3.959 20 0 HHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(F)c(F)cc3C(=O)[O-])s2)cs1 ZINC000481608468 994461177 /nfs/dbraw/zinc/46/11/77/994461177.db2.gz MYAMXMRHSUDALF-UHFFFAOYSA-N -2 0 416.452 3.957 20 0 HHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000475737348 996336139 /nfs/dbraw/zinc/33/61/39/996336139.db2.gz CRCSKIYMNOBRGV-UHFFFAOYSA-N -2 0 418.254 3.572 20 0 HHADRL Cc1nnc(-c2cc(F)ccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)o1 ZINC000475835054 996403297 /nfs/dbraw/zinc/40/32/97/996403297.db2.gz LVIRFJDMUOZGKX-UHFFFAOYSA-N -2 0 419.434 3.807 20 0 HHADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1C ZINC000476258346 996711786 /nfs/dbraw/zinc/71/17/86/996711786.db2.gz PJDIGNCBNHGKKZ-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(SCCC(=O)[O-])c1 ZINC000484505843 996834436 /nfs/dbraw/zinc/83/44/36/996834436.db2.gz WOQFRCLGJYLXPI-UHFFFAOYSA-N -2 0 402.497 3.911 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1Cl ZINC000484529350 996861832 /nfs/dbraw/zinc/86/18/32/996861832.db2.gz LELCCKSPDZHNNG-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(-c2nc(C3CC3)no2)c1 ZINC000476408802 996868079 /nfs/dbraw/zinc/86/80/79/996868079.db2.gz SHCQBBIYJMEQJP-UHFFFAOYSA-N -2 0 413.455 3.730 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(-c2nc(C3CC3)no2)c1 ZINC000476409712 996869855 /nfs/dbraw/zinc/86/98/55/996869855.db2.gz MERLTBIZKOACNZ-UHFFFAOYSA-N -2 0 413.455 3.730 20 0 HHADRL Cc1c(Br)cccc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000476411073 996870710 /nfs/dbraw/zinc/87/07/10/996870710.db2.gz GFAKKGHDHBWJBQ-UHFFFAOYSA-N -2 0 412.305 3.921 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c(Cl)cc1C(=O)[O-] ZINC000485262124 997654609 /nfs/dbraw/zinc/65/46/09/997654609.db2.gz IAOKICWKBMAFJP-UHFFFAOYSA-N -2 0 413.879 3.773 20 0 HHADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c(C)c1 ZINC000485262021 997654648 /nfs/dbraw/zinc/65/46/48/997654648.db2.gz AMJYEFHQUSRHAG-UHFFFAOYSA-N -2 0 413.879 3.945 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000485266169 997660487 /nfs/dbraw/zinc/66/04/87/997660487.db2.gz NCIHYEASUGRECR-UHFFFAOYSA-N -2 0 407.341 3.742 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c(Cl)cc1C(=O)[O-] ZINC000485267627 997661728 /nfs/dbraw/zinc/66/17/28/997661728.db2.gz AZMJBEAOIGVHEJ-UHFFFAOYSA-N -2 0 424.887 3.971 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c(Cl)cc1C(=O)[O-] ZINC000485283960 997681339 /nfs/dbraw/zinc/68/13/39/997681339.db2.gz HHJOLWNYJHPQQD-UHFFFAOYSA-N -2 0 408.819 3.503 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)ccc1F ZINC000485393696 997822784 /nfs/dbraw/zinc/82/27/84/997822784.db2.gz CLJQUWCKOFPMEO-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000477343026 998031090 /nfs/dbraw/zinc/03/10/90/998031090.db2.gz USWOLWLLMVEXRS-UHFFFAOYSA-N -2 0 406.847 3.704 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])c(F)cc1F ZINC000477514291 998235491 /nfs/dbraw/zinc/23/54/91/998235491.db2.gz BWIHNQOVZDRKLH-UHFFFAOYSA-N -2 0 420.231 3.843 20 0 HHADRL CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486094003 998541945 /nfs/dbraw/zinc/54/19/45/998541945.db2.gz VGWLOQYUJVZUBX-UHFFFAOYSA-N -2 0 421.418 3.947 20 0 HHADRL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1C ZINC000486096837 998545389 /nfs/dbraw/zinc/54/53/89/998545389.db2.gz ZJBYWVYQFQVPSH-UHFFFAOYSA-N -2 0 417.361 3.595 20 0 HHADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000478680048 999085243 /nfs/dbraw/zinc/08/52/43/999085243.db2.gz GANHOJAWGBCJOX-SECBINFHSA-N -2 0 403.382 3.508 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1C(=O)[O-] ZINC000479251270 999347296 /nfs/dbraw/zinc/34/72/96/999347296.db2.gz ISEYEZWDQQQANQ-UHFFFAOYSA-N -2 0 409.769 3.888 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)nn1-c1ccccc1 ZINC000479296966 999372030 /nfs/dbraw/zinc/37/20/30/999372030.db2.gz PUGQNSGEOLWWEG-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)c(OC(F)(F)F)c1 ZINC000488317548 999437586 /nfs/dbraw/zinc/43/75/86/999437586.db2.gz JSZIOUVEBADCFQ-UHFFFAOYSA-N -2 0 412.345 3.632 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c(OC)cc1Cl ZINC000479538805 999467186 /nfs/dbraw/zinc/46/71/86/999467186.db2.gz FXFAPMFNPVXURF-UHFFFAOYSA-N -2 0 420.270 3.818 20 0 HHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)cc1 ZINC000479558421 999477328 /nfs/dbraw/zinc/47/73/28/999477328.db2.gz XDZDESPOBHCCGS-UHFFFAOYSA-N -2 0 422.409 3.654 20 0 HHADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2C)s1 ZINC000488993593 999666782 /nfs/dbraw/zinc/66/67/82/999666782.db2.gz CGEDUWBZHUXPRS-UHFFFAOYSA-N -2 0 419.322 3.584 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccccc1Cl ZINC000480216836 999747949 /nfs/dbraw/zinc/74/79/49/999747949.db2.gz AVFNINRBEKFUDV-UHFFFAOYSA-N -2 0 423.853 3.726 20 0 HHADRL Cc1ccc(-n2ncc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)c2C(C)C)cc1 ZINC000480218974 999748239 /nfs/dbraw/zinc/74/82/39/999748239.db2.gz OUDMNYJMAHTMNF-UHFFFAOYSA-N -2 0 417.462 3.942 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000480232819 999752134 /nfs/dbraw/zinc/75/21/34/999752134.db2.gz XTIYWXBHBKJVQV-UHFFFAOYSA-N -2 0 411.892 3.649 20 0 HHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1 ZINC000489379564 999754809 /nfs/dbraw/zinc/75/48/09/999754809.db2.gz MYXWQBKGKBQKSQ-UHFFFAOYSA-N -2 0 421.368 3.932 20 0 HHADRL COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)cn2)cc1 ZINC000489750001 999830729 /nfs/dbraw/zinc/83/07/29/999830729.db2.gz XPSMVPIRHPMQRD-UHFFFAOYSA-N -2 0 418.402 3.521 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000491571096 1000084419 /nfs/dbraw/zinc/08/44/19/1000084419.db2.gz ABMRDLBJUOYRFE-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1CCC(C)C ZINC000491822388 1000095696 /nfs/dbraw/zinc/09/56/96/1000095696.db2.gz VITLRXROLXAXTF-UHFFFAOYSA-N -2 0 413.927 3.952 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Br)cc1 ZINC000491832656 1000096623 /nfs/dbraw/zinc/09/66/23/1000096623.db2.gz SJEAIVRSVPNEEO-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1Cl ZINC000504681297 1000323389 /nfs/dbraw/zinc/32/33/89/1000323389.db2.gz WDVVIHOLHJWHTO-UHFFFAOYSA-N -2 0 404.271 3.956 20 0 HHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1)C(=O)[O-] ZINC000504686371 1000326061 /nfs/dbraw/zinc/32/60/61/1000326061.db2.gz CWXGWWKWYPADAO-LBPRGKRZSA-N -2 0 407.513 3.766 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000505122923 1000561922 /nfs/dbraw/zinc/56/19/22/1000561922.db2.gz DXQRYRDTEDJGDT-UHFFFAOYSA-N -2 0 406.847 3.704 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000505125136 1000563123 /nfs/dbraw/zinc/56/31/23/1000563123.db2.gz 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/nfs/dbraw/zinc/68/12/61/972681261.db2.gz FYAQAFSYYZYNGF-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CC(C)(C)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)n1 ZINC000320496530 972682811 /nfs/dbraw/zinc/68/28/11/972682811.db2.gz HVAVKXHVZZROOT-UHFFFAOYSA-N -2 0 419.322 3.702 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c(Br)c1 ZINC000324810433 972725717 /nfs/dbraw/zinc/72/57/17/972725717.db2.gz CSHUCITXAXDJMR-UHFFFAOYSA-N -2 0 422.203 3.550 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(OC)cc1Cl ZINC000327879181 972763513 /nfs/dbraw/zinc/76/35/13/972763513.db2.gz ZCENLGYJWCLHTG-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1F ZINC000392535776 972853812 /nfs/dbraw/zinc/85/38/12/972853812.db2.gz QVNPFANNEPRMJJ-UHFFFAOYSA-N -2 0 400.161 3.910 20 0 HHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000392745941 972856243 /nfs/dbraw/zinc/85/62/43/972856243.db2.gz WEOKKQJDMBBQAE-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 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ZMSMRBCVSZNVGB-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000484960906 997337684 /nfs/dbraw/zinc/33/76/84/997337684.db2.gz AJBDOFAESZKFEL-UHFFFAOYSA-N -2 0 420.306 3.797 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1OCC ZINC000484974427 997342725 /nfs/dbraw/zinc/34/27/25/997342725.db2.gz HRCFOVVDIKTAAF-UHFFFAOYSA-N -2 0 423.487 3.770 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000484980831 997345152 /nfs/dbraw/zinc/34/51/52/997345152.db2.gz OTQMALHHLXGKPI-UHFFFAOYSA-N -2 0 418.496 3.637 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000484984348 997347506 /nfs/dbraw/zinc/34/75/06/997347506.db2.gz DUWLYAZNYSFWHH-UHFFFAOYSA-N -2 0 421.368 3.671 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c(Cl)cc1C(=O)[O-] ZINC000485248731 997635590 /nfs/dbraw/zinc/63/55/90/997635590.db2.gz HMNPMEALOMIZTO-UHFFFAOYSA-N -2 0 419.286 3.567 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c(Cl)cc1C(=O)[O-] ZINC000485273672 997668702 /nfs/dbraw/zinc/66/87/02/997668702.db2.gz KTXAOLAYENUTSI-UHFFFAOYSA-N -2 0 417.842 3.774 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)c(Cl)cc1C(=O)[O-] ZINC000485285529 997682160 /nfs/dbraw/zinc/68/21/60/997682160.db2.gz GFBGTXUVMDXQEM-UHFFFAOYSA-N -2 0 415.920 3.753 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000485294207 997697397 /nfs/dbraw/zinc/69/73/97/997697397.db2.gz RYGNOSVDGAJTEI-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485303462 997709669 /nfs/dbraw/zinc/70/96/69/997709669.db2.gz XDMGFCJBCWAGDS-UHFFFAOYSA-N -2 0 420.270 3.818 20 0 HHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000485407196 997839285 /nfs/dbraw/zinc/83/92/85/997839285.db2.gz OXGHIEUVBUVHKX-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(-c2nc(C3CC3)no2)c1 ZINC000477394905 998082173 /nfs/dbraw/zinc/08/21/73/998082173.db2.gz ASVMGRFTDOCNFK-UHFFFAOYSA-N -2 0 413.455 3.730 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1OC(F)F ZINC000477401898 998087453 /nfs/dbraw/zinc/08/74/53/998087453.db2.gz XUQPBFUFVIXFTF-UHFFFAOYSA-N -2 0 423.340 3.697 20 0 HHADRL CCOCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1 ZINC000486107237 998553670 /nfs/dbraw/zinc/55/36/70/998553670.db2.gz FGKWRECTEJLVKY-UHFFFAOYSA-N -2 0 419.377 3.621 20 0 HHADRL O=C([O-])c1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)c(F)c1 ZINC000478848876 999174575 /nfs/dbraw/zinc/17/45/75/999174575.db2.gz BFINFVFVQYWPGX-UHFFFAOYSA-N -2 0 414.414 3.577 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc1Cl ZINC000479235839 999337943 /nfs/dbraw/zinc/33/79/43/999337943.db2.gz DUSAVLISUPUPDL-UHFFFAOYSA-N -2 0 420.270 3.818 20 0 HHADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479235646 999337960 /nfs/dbraw/zinc/33/79/60/999337960.db2.gz QNBLKIICFSEZCI-UHFFFAOYSA-N -2 0 417.270 3.759 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)cc1C(=O)[O-] ZINC000479259152 999351612 /nfs/dbraw/zinc/35/16/12/999351612.db2.gz PKXKQNLBKWJQRU-UHFFFAOYSA-N -2 0 421.853 3.938 20 0 HHADRL CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1O ZINC000479528176 999462019 /nfs/dbraw/zinc/46/20/19/999462019.db2.gz NVCHBIRUXGGVOF-UHFFFAOYSA-N -2 0 405.472 3.538 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(F)(F)F)c1 ZINC000479564728 999479988 /nfs/dbraw/zinc/47/99/88/999479988.db2.gz GWJQBTJVCIILMW-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 ZINC000480241135 999754154 /nfs/dbraw/zinc/75/41/54/999754154.db2.gz LQLNUPMRBZZUSW-UHFFFAOYSA-N -2 0 419.890 3.516 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C(F)(F)F)c1 ZINC000489737766 999828263 /nfs/dbraw/zinc/82/82/63/999828263.db2.gz MJUIMAWCFCIRDI-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489774284 999835700 /nfs/dbraw/zinc/83/57/00/999835700.db2.gz SCXSOXQBWXSAIE-UHFFFAOYSA-N -2 0 407.341 3.742 20 0 HHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(OCCC(=O)[O-])cc3)s2)cs1 ZINC000504506466 1000239719 /nfs/dbraw/zinc/23/97/19/1000239719.db2.gz BCSDUFNAYAHDNV-UHFFFAOYSA-N -2 0 424.525 3.834 20 0 HHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000504665883 1000316157 /nfs/dbraw/zinc/31/61/57/1000316157.db2.gz NBXQTABBQJTDBG-ZDUSSCGKSA-N -2 0 402.497 3.909 20 0 HHADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000504666379 1000316212 /nfs/dbraw/zinc/31/62/12/1000316212.db2.gz SJVUOIVGWGJCQW-CQSZACIVSA-N -2 0 411.549 3.522 20 0 HHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)C(=O)[O-] ZINC000504666429 1000316972 /nfs/dbraw/zinc/31/69/72/1000316972.db2.gz TVTWOVKFKWSKRI-SNVBAGLBSA-N -2 0 421.418 3.951 20 0 HHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c1 ZINC000504702642 1000332755 /nfs/dbraw/zinc/33/27/55/1000332755.db2.gz ICXXJZBDOFAYCL-JTQLQIEISA-N -2 0 401.893 3.715 20 0 HHADRL Cc1nc(C=Cc2cccc(OCc3ccccc3C(=O)[O-])c2)[nH]c(=O)c1CC(=O)[O-] ZINC000504741744 1000350389 /nfs/dbraw/zinc/35/03/89/1000350389.db2.gz MNKLPLXFYJLLMR-MDZDMXLPSA-N -2 0 420.421 3.565 20 0 HHADRL Cc1cc(C(=O)Nc2ccccc2-c2c(F)cccc2F)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000494532148 1000541385 /nfs/dbraw/zinc/54/13/85/1000541385.db2.gz SEVKBUWEDCBUJU-UHFFFAOYSA-N -2 0 408.364 3.942 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)cs1 ZINC000498410122 1001838385 /nfs/dbraw/zinc/83/83/85/1001838385.db2.gz QDYSZTVAZYJQPL-UHFFFAOYSA-N -2 0 423.516 3.655 20 0 HHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1)C(=O)[O-] ZINC000507888342 1002420564 /nfs/dbraw/zinc/42/05/64/1002420564.db2.gz MKPZBUYFJQEAEY-JTQLQIEISA-N -2 0 405.369 3.697 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c(C(F)(F)F)c1 ZINC000509552461 1003940715 /nfs/dbraw/zinc/94/07/15/1003940715.db2.gz DYNLPBYFOZLTPY-UHFFFAOYSA-N -2 0 407.341 3.661 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c1 ZINC000512730374 1004523885 /nfs/dbraw/zinc/52/38/85/1004523885.db2.gz QIPHSDTXODRDTN-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCc2ccccc21 ZINC000511095547 1005016630 /nfs/dbraw/zinc/01/66/30/1005016630.db2.gz WFINLMWUSJWXNN-UHFFFAOYSA-N -2 0 424.478 3.888 20 0 HHADRL CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc1 ZINC000511244354 1005088358 /nfs/dbraw/zinc/08/83/58/1005088358.db2.gz STRPOZJKMOJMDS-CQSZACIVSA-N -2 0 418.515 3.837 20 0 HHADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl)OCCCO2 ZINC000511270819 1005100887 /nfs/dbraw/zinc/10/08/87/1005100887.db2.gz KDSHBFPLOVNWAX-UHFFFAOYSA-N -2 0 424.283 3.715 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1C(=O)[O-] ZINC000511326211 1005125327 /nfs/dbraw/zinc/12/53/27/1005125327.db2.gz MWTNENVCBUQLCV-UHFFFAOYSA-N -2 0 406.243 3.597 20 0 HHADRL Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1C(=O)[O-] ZINC000513813146 1005139553 /nfs/dbraw/zinc/13/95/53/1005139553.db2.gz YLMINSOPXPWGAL-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2COCc2ccccc2)cc1C(=O)[O-] ZINC000504222736 1005576569 /nfs/dbraw/zinc/57/65/69/1005576569.db2.gz HLESHSXIHIYGJU-UHFFFAOYSA-N -2 0 414.483 3.724 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2cccc(-c3ccccc3OC)c2)cc1C(=O)[O-] ZINC000504273408 1005587287 /nfs/dbraw/zinc/58/72/87/1005587287.db2.gz CNEJFKLVTNCQPQ-UHFFFAOYSA-N -2 0 400.456 3.683 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c(Cl)cc1C(=O)[O-] ZINC000531144957 1006017313 /nfs/dbraw/zinc/01/73/13/1006017313.db2.gz AALWBMFEFFVXBW-UHFFFAOYSA-N -2 0 413.879 3.943 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Br)c2Cl)ccc1F ZINC000515469961 1006482862 /nfs/dbraw/zinc/48/28/62/1006482862.db2.gz GXJFDHNSISXVDS-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL COc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000515565675 1006539403 /nfs/dbraw/zinc/53/94/03/1006539403.db2.gz SATMFYWOTOAZJR-UHFFFAOYSA-N -2 0 413.451 3.915 20 0 HHADRL CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000515629588 1006567465 /nfs/dbraw/zinc/56/74/65/1006567465.db2.gz DYYNVVIBGPMPHP-UHFFFAOYSA-N -2 0 424.544 3.818 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)cs1 ZINC000515692069 1006592536 /nfs/dbraw/zinc/59/25/36/1006592536.db2.gz QHHTUNMUEVTHOW-UHFFFAOYSA-N -2 0 415.798 3.842 20 0 HHADRL CN(C(=O)c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1)c1ccccc1 ZINC000515690822 1006592632 /nfs/dbraw/zinc/59/26/32/1006592632.db2.gz FWBJZTZNFLSFSH-UHFFFAOYSA-N -2 0 416.480 3.524 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2cc(C)ccc2C)c1C ZINC000533005809 1007372452 /nfs/dbraw/zinc/37/24/52/1007372452.db2.gz VEINQDFAHVTVET-UHFFFAOYSA-N -2 0 405.501 3.666 20 0 HHADRL CC(C)c1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000535508667 1007564423 /nfs/dbraw/zinc/56/44/23/1007564423.db2.gz VDZIMKQZAGSKBO-UHFFFAOYSA-N -2 0 414.277 3.777 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)c2ccccc12 ZINC000535895045 1007915199 /nfs/dbraw/zinc/91/51/99/1007915199.db2.gz OOFIQIXPRNJQAJ-UHFFFAOYSA-N -2 0 419.430 3.885 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000517924791 1008058608 /nfs/dbraw/zinc/05/86/08/1008058608.db2.gz KUBUOPBEVRJXPL-UHFFFAOYSA-N -2 0 422.528 3.572 20 0 HHADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1C ZINC000540496557 1008455832 /nfs/dbraw/zinc/45/58/32/1008455832.db2.gz BVMWMKUHQJQNEP-SECBINFHSA-N -2 0 405.398 3.680 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)nn1[C@H](C)C1CC1 ZINC000543160231 1008732500 /nfs/dbraw/zinc/73/25/00/1008732500.db2.gz SRBQKWSGGLWVNX-OAHLLOKOSA-N -2 0 421.519 3.515 20 0 HHADRL C[C@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)C1 ZINC000520141191 1009293704 /nfs/dbraw/zinc/29/37/04/1009293704.db2.gz ISJLETQTUMJPAZ-WMLDXEAASA-N -2 0 406.504 3.619 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1 ZINC000546536146 1009557467 /nfs/dbraw/zinc/55/74/67/1009557467.db2.gz NXHFXPCQGAMUSW-UHFFFAOYSA-N -2 0 422.659 3.670 20 0 HHADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1Cl ZINC000544639392 1010263635 /nfs/dbraw/zinc/26/36/35/1010263635.db2.gz FIYBXCUMIIYBHX-UHFFFAOYSA-N -2 0 421.233 3.590 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000547579327 1010354127 /nfs/dbraw/zinc/35/41/27/1010354127.db2.gz KTLMETWNUITKHD-UHFFFAOYSA-N -2 0 411.304 3.504 20 0 HHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c23)cc1)C(=O)[O-] ZINC000548264976 1010574857 /nfs/dbraw/zinc/57/48/57/1010574857.db2.gz ZAGGOCVALIEQNA-LBPRGKRZSA-N -2 0 407.879 3.670 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000545315726 1010727661 /nfs/dbraw/zinc/72/76/61/1010727661.db2.gz LTTCMJKMXGPXJM-UHFFFAOYSA-N -2 0 401.318 3.830 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N(C)C)sc1C(=O)[O-] ZINC000522958522 1011405667 /nfs/dbraw/zinc/40/56/67/1011405667.db2.gz VMXNOJMBTCZANH-UHFFFAOYSA-N -2 0 408.423 3.640 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)c1 ZINC000523834498 1012523455 /nfs/dbraw/zinc/52/34/55/1012523455.db2.gz XDYZQCNMKPYLDC-UHFFFAOYSA-N -2 0 413.542 3.659 20 0 HHADRL Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000552963128 1012949109 /nfs/dbraw/zinc/94/91/09/1012949109.db2.gz SOWKKHXCVPNRLP-UHFFFAOYSA-N -2 0 407.474 3.686 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2sc(C)nc2cc1OC ZINC000524160323 1012951288 /nfs/dbraw/zinc/95/12/88/1012951288.db2.gz SFBXNVIIODOHPS-UHFFFAOYSA-N -2 0 406.485 3.675 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1NC(=O)c1ccccc1 ZINC000614867276 1071861173 /nfs/dbraw/zinc/86/11/73/1071861173.db2.gz IBDVOCSGMKGKRO-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)(C)C ZINC000479397278 1072811123 /nfs/dbraw/zinc/81/11/23/1072811123.db2.gz XXMCHJUVGZGVFJ-UHFFFAOYSA-N -2 0 424.906 3.676 20 0 HHADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000588634880 1073088902 /nfs/dbraw/zinc/08/89/02/1073088902.db2.gz UOSSDWQVYJVPJT-UHFFFAOYSA-N -2 0 410.448 3.560 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)sc1C(=O)[O-] ZINC000524320550 1013138821 /nfs/dbraw/zinc/13/88/21/1013138821.db2.gz ZTDNYVTYTRUBOC-UHFFFAOYSA-N -2 0 409.407 3.805 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1 ZINC000013066928 962362778 /nfs/dbraw/zinc/36/27/78/962362778.db2.gz RESLLOCDTQNMKZ-UHFFFAOYSA-N -2 0 404.469 3.626 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(ccn2CC(C)C)c1 ZINC000050532918 964347027 /nfs/dbraw/zinc/34/70/27/964347027.db2.gz HYWDPZZRKMKLHT-UHFFFAOYSA-N -2 0 416.499 3.734 20 0 HHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)c1 ZINC000055632277 965976260 /nfs/dbraw/zinc/97/62/60/965976260.db2.gz GIZNIQBHWZSIQT-UHFFFAOYSA-N -2 0 418.858 3.813 20 0 HHADRL N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)c1 ZINC000031733010 966100393 /nfs/dbraw/zinc/10/03/93/966100393.db2.gz JQVMFDFCDYMSBG-KBXRYBNXSA-N -2 0 422.400 3.957 20 0 HHADRL Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)c2)n1 ZINC000032592374 966289629 /nfs/dbraw/zinc/28/96/29/966289629.db2.gz NGGSEINGXFTNKO-UHFFFAOYSA-N -2 0 403.847 3.604 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c(Cl)cc1F ZINC000063877504 966984229 /nfs/dbraw/zinc/98/42/29/966984229.db2.gz DPLUOOYIXYMIQU-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c(Cl)cc1F ZINC000063877739 966984547 /nfs/dbraw/zinc/98/45/47/966984547.db2.gz BFEGUIWCYCPSGD-UHFFFAOYSA-N -2 0 413.732 3.719 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000044667917 967272137 /nfs/dbraw/zinc/27/21/37/967272137.db2.gz XQXNRHFHBPQMHV-UHFFFAOYSA-N -2 0 416.318 3.978 20 0 HHADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(Cl)ccc3-n3cccn3)c1)CCC2 ZINC000071977526 968919111 /nfs/dbraw/zinc/91/91/11/968919111.db2.gz BUDZXZMNJAHVLH-UHFFFAOYSA-N -2 0 417.874 3.513 20 0 HHADRL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000320062224 972676597 /nfs/dbraw/zinc/67/65/97/972676597.db2.gz UWOVRGODMKYQFF-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c(Br)c1 ZINC000321633753 972693409 /nfs/dbraw/zinc/69/34/09/972693409.db2.gz JIFHXHBXOOPMAF-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1Br ZINC000322032308 972695923 /nfs/dbraw/zinc/69/59/23/972695923.db2.gz MHMQKKACTSILGZ-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)c(C(=O)[O-])c1 ZINC000324015849 972717963 /nfs/dbraw/zinc/71/79/63/972717963.db2.gz MKBIPRBQSCRFOP-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000386392997 972799462 /nfs/dbraw/zinc/79/94/62/972799462.db2.gz KLDJOSFBNFRTRW-UHFFFAOYSA-N -2 0 404.307 3.880 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)cc1C(=O)[O-] ZINC000389830406 972815241 /nfs/dbraw/zinc/81/52/41/972815241.db2.gz VHPTYHLEBBLJOT-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000390351910 972822766 /nfs/dbraw/zinc/82/27/66/972822766.db2.gz YHGVSODLLUEYRT-UHFFFAOYSA-N -2 0 420.306 3.797 20 0 HHADRL Cc1nc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3OC(C)C)cc2s1 ZINC000427263955 975012969 /nfs/dbraw/zinc/01/29/69/975012969.db2.gz YTSMXCZINVCTNV-UHFFFAOYSA-N -2 0 406.485 3.891 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(Cl)c1 ZINC000431179636 978078486 /nfs/dbraw/zinc/07/84/86/978078486.db2.gz DDYDRWPXOQCQFF-UHFFFAOYSA-N -3 0 423.752 3.556 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1C(=O)[O-] ZINC000432761235 978963318 /nfs/dbraw/zinc/96/33/18/978963318.db2.gz RIMONVSORYGQHI-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL COc1cc(NS(=O)(=O)c2cc(C)c(Br)cc2C)ccc1C(=O)[O-] ZINC000432774474 978970566 /nfs/dbraw/zinc/97/05/66/978970566.db2.gz CGPMGLVZPFKJIC-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1OC ZINC000435491566 980900347 /nfs/dbraw/zinc/90/03/47/980900347.db2.gz TWMIMYSABZDTFG-UHFFFAOYSA-N -2 0 424.233 3.649 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cnn1C1CCCC1 ZINC000435729046 981005878 /nfs/dbraw/zinc/00/58/78/981005878.db2.gz SCUAOIZTDHQSQM-UHFFFAOYSA-N -2 0 405.520 3.660 20 0 HHADRL CC(=O)c1ccc([O-])c(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)c1 ZINC000436862824 981596402 /nfs/dbraw/zinc/59/64/02/981596402.db2.gz PYAOWXBAQCYWCH-UHFFFAOYSA-N -2 0 416.480 3.709 20 0 HHADRL CC(=O)c1ccc([O-])c(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])c1 ZINC000436932753 981631685 /nfs/dbraw/zinc/63/16/85/981631685.db2.gz DROROUGPWQEBRH-UHFFFAOYSA-N -2 0 405.332 3.757 20 0 HHADRL CC[C@](C)(OC)c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000436957365 981646649 /nfs/dbraw/zinc/64/66/49/981646649.db2.gz XDNHTSQAOQJEHA-KRWDZBQOSA-N -2 0 409.489 3.576 20 0 HHADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(C(=O)[O-])c1 ZINC000438785424 983069502 /nfs/dbraw/zinc/06/95/02/983069502.db2.gz LSLZJPBZGMKHLZ-UHFFFAOYSA-N -2 0 424.862 3.571 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000462100858 985071714 /nfs/dbraw/zinc/07/17/14/985071714.db2.gz JGWMPUXJSRXVSM-UHFFFAOYSA-N -2 0 407.341 3.742 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468128465 985793128 /nfs/dbraw/zinc/79/31/28/985793128.db2.gz YYKFOXIVDKSTNB-UHFFFAOYSA-N -2 0 414.849 3.972 20 0 HHADRL Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000468164528 985841824 /nfs/dbraw/zinc/84/18/24/985841824.db2.gz MVNUPHNIEQMBIS-AWEZNQCLSA-N -2 0 407.474 3.684 20 0 HHADRL Cc1ccc(Cc2cnc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)s2)cc1C ZINC000468609867 986323750 /nfs/dbraw/zinc/32/37/50/986323750.db2.gz HIUHOYKVRNOKAA-UHFFFAOYSA-N -2 0 421.482 3.661 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3cc(C)c(C)cc3C)[nH]n2)sc1C(=O)[O-] ZINC000444417110 986599316 /nfs/dbraw/zinc/59/93/16/986599316.db2.gz CYISZAYWEBUHQU-UHFFFAOYSA-N -2 0 405.501 3.871 20 0 HHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-] ZINC000463798702 986790510 /nfs/dbraw/zinc/79/05/10/986790510.db2.gz UMACKGQQGMODDM-GFCCVEGCSA-N -2 0 402.394 3.555 20 0 HHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000469110894 986827142 /nfs/dbraw/zinc/82/71/42/986827142.db2.gz BSZJOYBUZNVHMA-UHFFFAOYSA-N -2 0 411.863 3.587 20 0 HHADRL Cc1cc(C(=O)Nc2cc(F)ccc2Oc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469377403 987073863 /nfs/dbraw/zinc/07/38/63/987073863.db2.gz QHTRMRNTEFAOKR-UHFFFAOYSA-N -2 0 406.373 3.928 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc(C(F)(F)F)c1 ZINC000471944243 990108773 /nfs/dbraw/zinc/10/87/73/990108773.db2.gz QDOMIXRPFCTNQI-UHFFFAOYSA-N -2 0 402.325 3.825 20 0 HHADRL CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466340917 991597256 /nfs/dbraw/zinc/59/72/56/991597256.db2.gz YJRIFJWRTHGGGG-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccc1 ZINC000467755143 993000386 /nfs/dbraw/zinc/00/03/86/993000386.db2.gz RCTSTEHLEMEWFC-UHFFFAOYSA-N -2 0 414.361 3.897 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COc2cccc(F)c2)c1 ZINC000467758528 993003104 /nfs/dbraw/zinc/00/31/04/993003104.db2.gz NYERDCLTMLMGDJ-UHFFFAOYSA-N -2 0 405.403 3.805 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)(F)F ZINC000467759955 993003744 /nfs/dbraw/zinc/00/37/44/993003744.db2.gz WAOISAJBMFIVEG-UHFFFAOYSA-N -2 0 413.757 3.682 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c(O)c1 ZINC000467758986 993004029 /nfs/dbraw/zinc/00/40/29/993004029.db2.gz LDLQTNDNYJKSDW-UHFFFAOYSA-N -2 0 423.393 3.688 20 0 HHADRL CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)n[nH]2)cc1 ZINC000483609322 996283967 /nfs/dbraw/zinc/28/39/67/996283967.db2.gz VXVIVKFLDWXBOV-UHFFFAOYSA-N -2 0 413.499 3.847 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COc2ccccc2)c1C ZINC000476396844 996852318 /nfs/dbraw/zinc/85/23/18/996852318.db2.gz JJTZQTHCOYJCJG-UHFFFAOYSA-N -2 0 401.440 3.974 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000484550394 996882015 /nfs/dbraw/zinc/88/20/15/996882015.db2.gz ZVVNUKFLVLSXHW-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000476425337 996893914 /nfs/dbraw/zinc/89/39/14/996893914.db2.gz UIRZRWCHJVFYMK-UHFFFAOYSA-N -2 0 423.834 3.668 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000484956787 997335281 /nfs/dbraw/zinc/33/52/81/997335281.db2.gz AGCXCKZBCOKGSC-UHFFFAOYSA-N -2 0 403.378 3.532 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c(Cl)cc1C(=O)[O-] ZINC000485252878 997641282 /nfs/dbraw/zinc/64/12/82/997641282.db2.gz LLGGTNVYPCBZPB-UHFFFAOYSA-N -2 0 423.796 3.952 20 0 HHADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485406045 997838393 /nfs/dbraw/zinc/83/83/93/997838393.db2.gz NBNQAIWAKHTDPP-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1coc(-c2cc(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3C)ccc2C)n1 ZINC000477470655 998187650 /nfs/dbraw/zinc/18/76/50/998187650.db2.gz MQXWUKFNTBAIGR-UHFFFAOYSA-N -2 0 404.419 3.905 20 0 HHADRL CC(C)CCn1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C(C)C ZINC000486103866 998551111 /nfs/dbraw/zinc/55/11/11/998551111.db2.gz VNXDXLVRNDYKNZ-UHFFFAOYSA-N -2 0 407.536 3.871 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2C)sc1C(=O)[O-] ZINC000486115770 998563318 /nfs/dbraw/zinc/56/33/18/998563318.db2.gz MBJCEBQTEKOIKO-UHFFFAOYSA-N -2 0 404.307 3.935 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)c(C)cc1C ZINC000486124209 998572172 /nfs/dbraw/zinc/57/21/72/998572172.db2.gz QTMSXBTYRGFYDQ-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000479187820 999316892 /nfs/dbraw/zinc/31/68/92/999316892.db2.gz KMANMEVSUKIFPQ-LBPRGKRZSA-N -2 0 402.394 3.555 20 0 HHADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479246443 999344715 /nfs/dbraw/zinc/34/47/15/999344715.db2.gz DQOHOKWUGFBPCO-UHFFFAOYSA-N -2 0 401.893 3.878 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(OC(F)(F)F)c1 ZINC000488265046 999415988 /nfs/dbraw/zinc/41/59/88/999415988.db2.gz QYYPZSYVCDWALP-UHFFFAOYSA-N -2 0 418.374 3.694 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)c(Cl)c1 ZINC000479547981 999471382 /nfs/dbraw/zinc/47/13/82/999471382.db2.gz VSUNBYAOJOSNLK-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1-c1ccccc1C ZINC000480238476 999753674 /nfs/dbraw/zinc/75/36/74/999753674.db2.gz BSRMACDIHNLNPO-UHFFFAOYSA-N -2 0 413.499 3.561 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccccc1Cl ZINC000480241624 999754493 /nfs/dbraw/zinc/75/44/93/999754493.db2.gz PLJAFVRZPNAOES-UHFFFAOYSA-N -2 0 411.892 3.649 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000480250040 999756280 /nfs/dbraw/zinc/75/62/80/999756280.db2.gz QYRZQQPELSNKHV-UHFFFAOYSA-N -2 0 413.499 3.859 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1-c1cccc(C)c1 ZINC000480251114 999756534 /nfs/dbraw/zinc/75/65/34/999756534.db2.gz RYYBCFZKNCKGNY-UHFFFAOYSA-N -2 0 405.501 3.612 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)cccc1C(=O)[O-] ZINC000489435907 999767141 /nfs/dbraw/zinc/76/71/41/999767141.db2.gz VMXFBCMYVXOWKB-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)cc1F ZINC000489762942 999833406 /nfs/dbraw/zinc/83/34/06/999833406.db2.gz HUPJWSDPYDBLRB-UHFFFAOYSA-N -2 0 414.414 3.577 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000505125935 1000563515 /nfs/dbraw/zinc/56/35/15/1000563515.db2.gz VSTQNYLIHRDURU-UHFFFAOYSA-N -2 0 413.879 3.943 20 0 HHADRL COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000506613364 1001471251 /nfs/dbraw/zinc/47/12/51/1001471251.db2.gz CSKRQSBBYQTWSQ-UHFFFAOYSA-N -2 0 418.254 3.587 20 0 HHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000498008456 1001601791 /nfs/dbraw/zinc/60/17/91/1001601791.db2.gz URMRXSOYYUQTOK-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000507019483 1001767167 /nfs/dbraw/zinc/76/71/67/1001767167.db2.gz GCQFGLVRKQKMGV-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)cc(C(=O)[O-])c1 ZINC000507582188 1002186610 /nfs/dbraw/zinc/18/66/10/1002186610.db2.gz LONRRWNLTCENRR-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1)C(=O)[O-] ZINC000507622426 1002227032 /nfs/dbraw/zinc/22/70/32/1002227032.db2.gz SVYSEXREWIFZRG-QMMMGPOBSA-N -2 0 407.847 3.984 20 0 HHADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000507939962 1002474833 /nfs/dbraw/zinc/47/48/33/1002474833.db2.gz RTOQXSMLHLOAQR-UHFFFAOYSA-N -2 0 420.270 3.647 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)cc1C(=O)[O-] ZINC000499270603 1002675789 /nfs/dbraw/zinc/67/57/89/1002675789.db2.gz FOYYINMDZKMDII-UHFFFAOYSA-N -2 0 409.508 3.560 20 0 HHADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000499501814 1002890206 /nfs/dbraw/zinc/89/02/06/1002890206.db2.gz BCOKSLDLFACAOL-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)ccc1OCC(=O)[O-] ZINC000500310046 1003615086 /nfs/dbraw/zinc/61/50/86/1003615086.db2.gz GESQOWXDCHUSPD-UHFFFAOYSA-N -2 0 405.472 3.581 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)c(C)c1C(=O)[O-] ZINC000512761498 1004543748 /nfs/dbraw/zinc/54/37/48/1004543748.db2.gz CKQYWUPJSUSDMC-UHFFFAOYSA-N -2 0 421.368 3.883 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)c1 ZINC000512770123 1004549345 /nfs/dbraw/zinc/54/93/45/1004549345.db2.gz AGRYHUOOMMPEBT-UHFFFAOYSA-N -2 0 402.403 3.820 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c(C(F)(F)F)c1 ZINC000512776342 1004553009 /nfs/dbraw/zinc/55/30/09/1004553009.db2.gz MFDPKOZXUOKPDG-UHFFFAOYSA-N -2 0 407.341 3.661 20 0 HHADRL CCCc1nnc([N-]C(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)s1 ZINC000504054503 1005541692 /nfs/dbraw/zinc/54/16/92/1005541692.db2.gz BEVOHMPKDVOPSN-UHFFFAOYSA-N -2 0 422.557 3.914 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cc1C(=O)[O-] ZINC000504258912 1005584291 /nfs/dbraw/zinc/58/42/91/1005584291.db2.gz DEPHWBKRYWPXLD-UHFFFAOYSA-N -2 0 419.503 3.526 20 0 HHADRL CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000515629536 1006567759 /nfs/dbraw/zinc/56/77/59/1006567759.db2.gz CHRQMOVGLYILTG-UHFFFAOYSA-N -2 0 410.517 3.509 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)sc1C(=O)[O-] ZINC000538497484 1006765457 /nfs/dbraw/zinc/76/54/57/1006765457.db2.gz XAXUJGCOTWKZGV-UHFFFAOYSA-N -2 0 415.452 3.759 20 0 HHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000543162978 1008737871 /nfs/dbraw/zinc/73/78/71/1008737871.db2.gz SMRAHUMVUKYAQX-UHFFFAOYSA-N -2 0 422.459 3.522 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000543650990 1009255477 /nfs/dbraw/zinc/25/54/77/1009255477.db2.gz PINYSRDUUQKKIU-SECBINFHSA-N -2 0 418.334 3.883 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2c(C)noc2-c2ccccc2)cc1C(=O)[O-] ZINC000543699411 1009306313 /nfs/dbraw/zinc/30/63/13/1009306313.db2.gz OZPBLNPKLHTNPX-UHFFFAOYSA-N -2 0 402.428 3.548 20 0 HHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1OC ZINC000543785290 1009355417 /nfs/dbraw/zinc/35/54/17/1009355417.db2.gz YLKJVECNMHGRPV-UHFFFAOYSA-N -2 0 413.879 3.565 20 0 HHADRL O=S(=O)([N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1)c1ccc(Cl)cc1 ZINC000546629543 1009639391 /nfs/dbraw/zinc/63/93/91/1009639391.db2.gz XLSNYGHZOFHVOC-UHFFFAOYSA-N -2 0 422.915 3.942 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCC2)cc1 ZINC000520627683 1009704041 /nfs/dbraw/zinc/70/40/41/1009704041.db2.gz SZVRDLFKISKIOO-UHFFFAOYSA-N -2 0 422.528 3.618 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000520627810 1009704607 /nfs/dbraw/zinc/70/46/07/1009704607.db2.gz XYEUZOGVJSDQQS-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1-c1cccc(F)c1 ZINC000544099163 1009709520 /nfs/dbraw/zinc/70/95/20/1009709520.db2.gz UTOYFUDMKSSWHN-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1)C(=O)[O-] ZINC000544628995 1010252432 /nfs/dbraw/zinc/25/24/32/1010252432.db2.gz AEBSPPAVMIUILE-VIFPVBQESA-N -2 0 404.307 3.575 20 0 HHADRL O=S(=O)(Cc1cccc(F)c1)[N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000547336845 1010259044 /nfs/dbraw/zinc/25/90/44/1010259044.db2.gz ROZUCGUDIWMZNA-UHFFFAOYSA-N -2 0 420.487 3.568 20 0 HHADRL CCOc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C(=O)[O-])cc1OCC ZINC000547554458 1010347329 /nfs/dbraw/zinc/34/73/29/1010347329.db2.gz MLAKUFIXSCKNQH-UHFFFAOYSA-N -2 0 424.862 3.508 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cnn1-c1ccc(Cl)cc1 ZINC000547559685 1010349204 /nfs/dbraw/zinc/34/92/04/1010349204.db2.gz KVJQVSGIADZHNU-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(F)cc(C(=O)[O-])c3F)s2)cs1 ZINC000547610315 1010362730 /nfs/dbraw/zinc/36/27/30/1010362730.db2.gz LBTSYEOKQYHKHA-UHFFFAOYSA-N -2 0 416.452 3.957 20 0 HHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)cc1 ZINC000547933987 1010472794 /nfs/dbraw/zinc/47/27/94/1010472794.db2.gz XCKVLOHIVQGQBM-NSHDSACASA-N -2 0 422.890 3.604 20 0 HHADRL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000548211897 1010561668 /nfs/dbraw/zinc/56/16/68/1010561668.db2.gz JCWCFUPPBMPNDE-UHFFFAOYSA-N -3 0 409.803 3.592 20 0 HHADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000548213245 1010562291 /nfs/dbraw/zinc/56/22/91/1010562291.db2.gz PLQVHQIDFORTHI-UHFFFAOYSA-N -2 0 423.244 3.603 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(OC)c1 ZINC000548261102 1010574235 /nfs/dbraw/zinc/57/42/35/1010574235.db2.gz DJFBLBMBTHKQAU-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000548313189 1010589957 /nfs/dbraw/zinc/58/99/57/1010589957.db2.gz DNBMPBQBDKPNHB-UHFFFAOYSA-N -2 0 423.816 3.837 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000522216929 1010871103 /nfs/dbraw/zinc/87/11/03/1010871103.db2.gz BYQDTYRHUVOUPC-UHFFFAOYSA-N -2 0 402.241 3.650 20 0 HHADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000522398904 1010981150 /nfs/dbraw/zinc/98/11/50/1010981150.db2.gz SWNHGCFSHFIJJO-UHFFFAOYSA-N -2 0 407.488 3.665 20 0 HHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000536681923 1011844895 /nfs/dbraw/zinc/84/48/95/1011844895.db2.gz HWCLHIGKCGZRJF-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(F)F ZINC000479404535 1072794504 /nfs/dbraw/zinc/79/45/04/1072794504.db2.gz FPKUWWZXHNRLLH-UHFFFAOYSA-N -2 0 421.853 3.938 20 0 HHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)n2)c1 ZINC000303875223 972416238 /nfs/dbraw/zinc/41/62/38/972416238.db2.gz IGRKBZLTINEBGC-UHFFFAOYSA-N -2 0 423.498 3.684 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000542234999 1013191733 /nfs/dbraw/zinc/19/17/33/1013191733.db2.gz OXPMNSNTXRDKIY-UHFFFAOYSA-N -2 0 409.464 3.524 20 0 HHADRL O=C([N-]NC(=O)c1sc2ccccc2c1Cl)c1nn(-c2ccccc2)cc1[O-] ZINC000010159219 961754463 /nfs/dbraw/zinc/75/44/63/961754463.db2.gz IEBHNLRVUMRKPQ-UHFFFAOYSA-N -2 0 412.858 3.521 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C(=O)[O-])cc1OC ZINC000013263136 962381229 /nfs/dbraw/zinc/38/12/29/962381229.db2.gz QRJLZNITXASZQY-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000013340962 962388628 /nfs/dbraw/zinc/38/86/28/962388628.db2.gz UWYSCCBUUVAUPF-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)ccc1Cl ZINC000058494584 965754827 /nfs/dbraw/zinc/75/48/27/965754827.db2.gz IXADHWLTUIFERG-UHFFFAOYSA-N -2 0 424.645 3.844 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1COc1ccccc1 ZINC000055688089 966020218 /nfs/dbraw/zinc/02/02/18/966020218.db2.gz KLNKQBRKMLPJNS-UHFFFAOYSA-N -2 0 413.451 3.773 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])c(Cl)cc1F ZINC000060371782 966118640 /nfs/dbraw/zinc/11/86/40/966118640.db2.gz PTYGETDIABNBDJ-UHFFFAOYSA-N -3 0 423.805 3.830 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)sc1C(=O)[O-] ZINC000538094282 1013665262 /nfs/dbraw/zinc/66/52/62/1013665262.db2.gz TUVBTDXIHXVVCL-UHFFFAOYSA-N -2 0 412.233 3.596 20 0 HHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000063180887 966769398 /nfs/dbraw/zinc/76/93/98/966769398.db2.gz QWNMIZUBHFEZPK-UHFFFAOYSA-N -2 0 419.377 3.612 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)s1 ZINC000064478059 967204053 /nfs/dbraw/zinc/20/40/53/967204053.db2.gz RIVQZDZTXVDDKP-UHFFFAOYSA-N -2 0 408.526 3.658 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000064478103 967204501 /nfs/dbraw/zinc/20/45/01/967204501.db2.gz OKQAWXDLSSLXBZ-UHFFFAOYSA-N -2 0 402.497 3.597 20 0 HHADRL Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000046303278 967731400 /nfs/dbraw/zinc/73/14/00/967731400.db2.gz CPRZJXUVYLXDNY-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000097150743 969097064 /nfs/dbraw/zinc/09/70/64/969097064.db2.gz IZTOLASABUBWPU-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(C(F)(F)F)c1 ZINC000146188335 970282785 /nfs/dbraw/zinc/28/27/85/970282785.db2.gz LBDDTODRVISXJG-UHFFFAOYSA-N -2 0 404.753 3.729 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000554539323 1013973494 /nfs/dbraw/zinc/97/34/94/1013973494.db2.gz VQGYELNZTMBEJA-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c1 ZINC000327003738 972752581 /nfs/dbraw/zinc/75/25/81/972752581.db2.gz PMPLXHNFVKNCLK-UHFFFAOYSA-N -2 0 421.272 3.739 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c(Cl)cc1Cl ZINC000383726488 972791820 /nfs/dbraw/zinc/79/18/20/972791820.db2.gz LDUAEWLVARHIPZ-UHFFFAOYSA-N -2 0 402.255 3.817 20 0 HHADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)ccc1C ZINC000389282973 972812307 /nfs/dbraw/zinc/81/23/07/972812307.db2.gz IKESYXIODZWQDD-UHFFFAOYSA-N -2 0 404.307 3.880 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)sc1Br ZINC000390921914 972833734 /nfs/dbraw/zinc/83/37/34/972833734.db2.gz DWNPIFYHFYVXGR-UHFFFAOYSA-N -2 0 418.334 3.982 20 0 HHADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000410377244 973974747 /nfs/dbraw/zinc/97/47/47/973974747.db2.gz YVHQRWURAJEVCY-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cccc1C(=O)[O-] ZINC000410402835 974002345 /nfs/dbraw/zinc/00/23/45/974002345.db2.gz UQOMSMVJQHPZOY-UHFFFAOYSA-N -2 0 405.472 3.812 20 0 HHADRL CC(C)Oc1cc(Br)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000426008018 974124598 /nfs/dbraw/zinc/12/45/98/974124598.db2.gz PJPPDIAUPSQLFL-UHFFFAOYSA-N -2 0 420.306 3.797 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cc3nc(C(=O)[O-])cs3)cc2)s1 ZINC000430978871 977924576 /nfs/dbraw/zinc/92/45/76/977924576.db2.gz RLTNCFJMYMEBQN-UHFFFAOYSA-N -2 0 408.526 3.911 20 0 HHADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000433611598 979425109 /nfs/dbraw/zinc/42/51/09/979425109.db2.gz DDTZEQQESNYPMV-UHFFFAOYSA-N -2 0 412.261 3.541 20 0 HHADRL Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)n[nH]2)c1 ZINC000436178034 981237290 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ZPFOCOUUQVEAIF-OAHLLOKOSA-N -2 0 405.520 3.516 20 0 HHADRL O=C([O-])c1csc(Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)n1 ZINC000543165452 1008741670 /nfs/dbraw/zinc/74/16/70/1008741670.db2.gz CYSYWQINLNJFKL-UHFFFAOYSA-N -2 0 414.917 3.948 20 0 HHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543769715 1009339872 /nfs/dbraw/zinc/33/98/72/1009339872.db2.gz SJBDXHXXRQUJDN-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000544097063 1009706082 /nfs/dbraw/zinc/70/60/82/1009706082.db2.gz TVTSSMAVZOGFAJ-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000547541890 1010345352 /nfs/dbraw/zinc/34/53/52/1010345352.db2.gz CAGGBCQOAVHFHD-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000547578981 1010354050 /nfs/dbraw/zinc/35/40/50/1010354050.db2.gz CNBCBBHSSLFICA-UHFFFAOYSA-N -2 0 420.752 3.609 20 0 HHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccccc3OC(F)(F)F)ccc12 ZINC000547872794 1010458598 /nfs/dbraw/zinc/45/85/98/1010458598.db2.gz KUIUEPRSQLEPNT-UHFFFAOYSA-N -2 0 400.334 3.566 20 0 HHADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1F ZINC000548149897 1010545377 /nfs/dbraw/zinc/54/53/77/1010545377.db2.gz PGXLYDYIKYCSCQ-UHFFFAOYSA-N -2 0 413.224 3.569 20 0 HHADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000548527996 1010656674 /nfs/dbraw/zinc/65/66/74/1010656674.db2.gz RZHPKADEGGXTNT-UHFFFAOYSA-N -2 0 422.478 3.505 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c(Br)c1 ZINC000548530090 1010657459 /nfs/dbraw/zinc/65/74/59/1010657459.db2.gz QBRLVEUTHRQUGQ-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000548590816 1010674195 /nfs/dbraw/zinc/67/41/95/1010674195.db2.gz ABBYQTSJDWNCCC-UHFFFAOYSA-N -2 0 421.368 3.671 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000548767953 1010726069 /nfs/dbraw/zinc/72/60/69/1010726069.db2.gz KPYAWBUWZVSDTE-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)ccc1OCCCC(=O)[O-] ZINC000540696476 1011348980 /nfs/dbraw/zinc/34/89/80/1011348980.db2.gz PTLYOSUTGUCEDM-UHFFFAOYSA-N -2 0 416.455 3.694 20 0 HHADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C(F)F)n1 ZINC000536415865 1011631270 /nfs/dbraw/zinc/63/12/70/1011631270.db2.gz HKCCLAKJGSQRDD-UHFFFAOYSA-N -2 0 407.826 3.629 20 0 HHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1 ZINC000541927316 1012787324 /nfs/dbraw/zinc/78/73/24/1012787324.db2.gz HAXXPEFSCAZWQI-UHFFFAOYSA-N -2 0 412.305 3.966 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)c(F)c1 ZINC000537394926 1012877837 /nfs/dbraw/zinc/87/78/37/1012877837.db2.gz RWUIMRSZGUABSG-UHFFFAOYSA-N -2 0 413.386 3.528 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)nn1-c1ccccc1Cl ZINC000537395679 1012878564 /nfs/dbraw/zinc/87/85/64/1012878564.db2.gz YIILRCCZUVPFSE-UHFFFAOYSA-N -2 0 423.853 3.781 20 0 HHADRL COc1ccnc2c([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)cccc12 ZINC000542011465 1012895453 /nfs/dbraw/zinc/89/54/53/1012895453.db2.gz PHSJIVQPPYSLNK-UHFFFAOYSA-N -2 0 414.483 3.597 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000479383347 1072792004 /nfs/dbraw/zinc/79/20/04/1072792004.db2.gz CZPGVZIZNYUUDQ-UHFFFAOYSA-N -2 0 411.863 3.555 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000591682101 1074485172 /nfs/dbraw/zinc/48/51/72/1074485172.db2.gz XHOSPMFZKVSRJH-UHFFFAOYSA-N -2 0 410.498 3.591 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000591681582 1074485734 /nfs/dbraw/zinc/48/57/34/1074485734.db2.gz XFXQXVMFMSAHNY-LBPRGKRZSA-N -2 0 422.528 3.570 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc3ccccc3s2)c[nH]1 ZINC000592711651 1075098612 /nfs/dbraw/zinc/09/86/12/1075098612.db2.gz IJDQQUCTSSHPKK-UHFFFAOYSA-N -2 0 417.443 3.930 20 0 HHADRL CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000007505334 961220501 /nfs/dbraw/zinc/22/05/01/961220501.db2.gz KSAACBUHXABUMY-UHFFFAOYSA-N -2 0 403.378 3.993 20 0 HHADRL C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000013059153 962361589 /nfs/dbraw/zinc/36/15/89/962361589.db2.gz GRLMJFVUFULFPY-OAHLLOKOSA-N -2 0 424.478 3.677 20 0 HHADRL C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000013059154 962361612 /nfs/dbraw/zinc/36/16/12/962361612.db2.gz GRLMJFVUFULFPY-HNNXBMFYSA-N -2 0 424.478 3.677 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000013279006 962384091 /nfs/dbraw/zinc/38/40/91/962384091.db2.gz ISNDSYPSGZRJRY-UHFFFAOYSA-N -2 0 419.455 3.626 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)Cc1ccccc1-2 ZINC000057116277 965286893 /nfs/dbraw/zinc/28/68/93/965286893.db2.gz REFVXSDXXRJJMB-UHFFFAOYSA-N -2 0 409.463 3.694 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2OCC(F)(F)F)sc1C(=O)[O-] ZINC000057123910 965296980 /nfs/dbraw/zinc/29/69/80/965296980.db2.gz NXBVUMYCBPTQCP-UHFFFAOYSA-N -2 0 409.407 3.805 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1OC1CCCC1 ZINC000055583959 965938188 /nfs/dbraw/zinc/93/81/88/965938188.db2.gz NCGDDSZFPSSXKC-UHFFFAOYSA-N -2 0 411.501 3.886 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c(Br)c1 ZINC000314551812 972639394 /nfs/dbraw/zinc/63/93/94/972639394.db2.gz VKHVVLYEDDNQHF-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(Br)c1 ZINC000321787694 972694779 /nfs/dbraw/zinc/69/47/79/972694779.db2.gz VWRWMJNBKIHCQA-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000325778432 972735051 /nfs/dbraw/zinc/73/50/51/972735051.db2.gz JKNWCMHFEGZDNC-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000326100685 972738810 /nfs/dbraw/zinc/73/88/10/972738810.db2.gz VXGCQJOIZNUWPS-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000326756222 972747692 /nfs/dbraw/zinc/74/76/92/972747692.db2.gz YDOTWRPYINLURE-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000392853817 972857679 /nfs/dbraw/zinc/85/76/79/972857679.db2.gz RHNDKJICRDZYTB-UHFFFAOYSA-N -2 0 405.259 3.675 20 0 HHADRL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1Cl ZINC000410399015 973998419 /nfs/dbraw/zinc/99/84/19/973998419.db2.gz BVOXVVWDPNVQGY-UHFFFAOYSA-N -2 0 413.879 3.943 20 0 HHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1)C(=O)[O-] ZINC000427343550 975066143 /nfs/dbraw/zinc/06/61/43/975066143.db2.gz CDQNZQMUIDOJSD-SNVBAGLBSA-N -2 0 421.368 3.788 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[n-]3)cc(C(F)(F)F)c2)s1 ZINC000431181741 978080395 /nfs/dbraw/zinc/08/03/95/978080395.db2.gz LBXYRXFQSZOGCS-UHFFFAOYSA-N -2 0 418.422 3.675 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1-c1ccccc1 ZINC000435137947 980668728 /nfs/dbraw/zinc/66/87/28/980668728.db2.gz HKFCVJIPDJUDKT-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1-c1ccccc1F ZINC000435141043 980672698 /nfs/dbraw/zinc/67/26/98/980672698.db2.gz XERQFBIMIIXCEL-UHFFFAOYSA-N -2 0 423.853 3.781 20 0 HHADRL COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000435734356 981008296 /nfs/dbraw/zinc/00/82/96/981008296.db2.gz FMBDQEVQUBXJTA-UHFFFAOYSA-N -2 0 413.879 3.701 20 0 HHADRL Cc1cccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3[O-])n2)n1 ZINC000436920051 981624250 /nfs/dbraw/zinc/62/42/50/981624250.db2.gz PXUAVEGREXRJSF-UHFFFAOYSA-N -2 0 414.468 3.675 20 0 HHADRL O=S(=O)([N-]c1ccc(-c2nc(CCc3ccco3)no2)c([O-])c1)c1cccs1 ZINC000436950682 981641498 /nfs/dbraw/zinc/64/14/98/981641498.db2.gz OBYRCPDCZBVYFO-UHFFFAOYSA-N -2 0 417.468 3.683 20 0 HHADRL Cc1cc(-c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3[O-])n2)ccn1 ZINC000436956263 981645681 /nfs/dbraw/zinc/64/56/81/981645681.db2.gz LSSNJNWRGBFZEV-UHFFFAOYSA-N -2 0 414.468 3.675 20 0 HHADRL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436987505 981669206 /nfs/dbraw/zinc/66/92/06/981669206.db2.gz JHKPFSIIVREJQK-UHFFFAOYSA-N -2 0 407.817 3.646 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(SCCC(=O)[O-])c1 ZINC000460444493 982236199 /nfs/dbraw/zinc/23/61/99/982236199.db2.gz PLAISPGRIHXTIY-UHFFFAOYSA-N -2 0 420.434 3.776 20 0 HHADRL Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438761765 983053847 /nfs/dbraw/zinc/05/38/47/983053847.db2.gz SDSVFBDERHTCGX-UHFFFAOYSA-N -2 0 419.459 3.574 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc1Cl ZINC000438799482 983078399 /nfs/dbraw/zinc/07/83/99/983078399.db2.gz AJNDCPBEYJGBCH-UHFFFAOYSA-N -2 0 409.769 3.780 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)c1 ZINC000440301379 983711691 /nfs/dbraw/zinc/71/16/91/983711691.db2.gz DWQBEUGGDAPINM-UHFFFAOYSA-N -2 0 403.378 3.695 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c(Cl)c1 ZINC000462055401 985029404 /nfs/dbraw/zinc/02/94/04/985029404.db2.gz FAPSNJTYMHSUQU-UHFFFAOYSA-N -2 0 409.769 3.780 20 0 HHADRL CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000462081691 985053093 /nfs/dbraw/zinc/05/30/93/985053093.db2.gz UJDCUWNCVSMIIA-UHFFFAOYSA-N -2 0 407.366 3.895 20 0 HHADRL Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000462083788 985055602 /nfs/dbraw/zinc/05/56/02/985055602.db2.gz MJWSGNMKEGGJNQ-UHFFFAOYSA-N -2 0 423.903 3.724 20 0 HHADRL COc1cc(C)c(Br)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000462376931 985360183 /nfs/dbraw/zinc/36/01/83/985360183.db2.gz SOMRXXLPVVEFAD-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)sc1C(=O)[O-] ZINC000443412320 985567714 /nfs/dbraw/zinc/56/77/14/985567714.db2.gz BARIMSXKBIMFEA-UHFFFAOYSA-N -2 0 413.370 3.636 20 0 HHADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c(O)c1 ZINC000443530482 985701726 /nfs/dbraw/zinc/70/17/26/985701726.db2.gz NNPXGOMDLCLTDD-UHFFFAOYSA-N -2 0 405.472 3.538 20 0 HHADRL COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000468339262 986034900 /nfs/dbraw/zinc/03/49/00/986034900.db2.gz BGYZZIGUIWZWQZ-SNVBAGLBSA-N -2 0 419.908 3.623 20 0 HHADRL COc1ccc(Cl)cc1-c1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n[nH]1 ZINC000444421754 986604263 /nfs/dbraw/zinc/60/42/63/986604263.db2.gz ILLQYVBMEHFONG-UHFFFAOYSA-N -2 0 421.862 3.546 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c2ncccc12 ZINC000463776488 986766451 /nfs/dbraw/zinc/76/64/51/986766451.db2.gz GEFVXRBARSSOAG-UHFFFAOYSA-N -2 0 400.456 3.749 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(COCc3ccccc3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469707352 987363583 /nfs/dbraw/zinc/36/35/83/987363583.db2.gz HOYZWSYYLPMSNC-UHFFFAOYSA-N -2 0 416.437 3.714 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)cc(C(=O)[O-])c1C ZINC000471124967 989232381 /nfs/dbraw/zinc/23/23/81/989232381.db2.gz OJIQWUFOVDMULR-UHFFFAOYSA-N -2 0 418.496 3.838 20 0 HHADRL Cc1c(Br)cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1C(=O)[O-] ZINC000471569506 989770480 /nfs/dbraw/zinc/77/04/80/989770480.db2.gz HSEFVCONHNFJCA-UHFFFAOYSA-N -2 0 423.288 3.748 20 0 HHADRL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000471574715 989776648 /nfs/dbraw/zinc/77/66/48/989776648.db2.gz SDBFWXIKBUHPFT-UHFFFAOYSA-N -2 0 423.288 3.748 20 0 HHADRL Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000471583015 989786711 /nfs/dbraw/zinc/78/67/11/989786711.db2.gz SRISFDAJSZTMOU-CQSZACIVSA-N -2 0 417.462 3.747 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)c(Cl)c1 ZINC000471585168 989789110 /nfs/dbraw/zinc/78/91/10/989789110.db2.gz JMJPITWWGWFTJV-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000471971397 990137182 /nfs/dbraw/zinc/13/71/82/990137182.db2.gz AHYUMPZKNPAECG-UHFFFAOYSA-N -2 0 415.267 3.502 20 0 HHADRL CCOc1c(Cl)cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1Cl ZINC000466274724 991520308 /nfs/dbraw/zinc/52/03/08/991520308.db2.gz VVTVUQIAZWIYEA-UHFFFAOYSA-N -2 0 409.229 3.702 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)Nc2ccccc2)ccc1C ZINC000467755169 993000113 /nfs/dbraw/zinc/00/01/13/993000113.db2.gz ROCUNPRKTFSNQI-UHFFFAOYSA-N -2 0 414.439 3.648 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000467775617 993015168 /nfs/dbraw/zinc/01/51/68/993015168.db2.gz FQCAHELBFQICDF-UHFFFAOYSA-N -2 0 424.818 3.586 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000481437095 994272315 /nfs/dbraw/zinc/27/23/15/994272315.db2.gz DGPRTXPKVDMBOC-UHFFFAOYSA-N -2 0 418.254 3.753 20 0 HHADRL CC(C)(C)OC(=O)CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000475835823 996403884 /nfs/dbraw/zinc/40/38/84/996403884.db2.gz SKHIEHFZHOOPRR-UHFFFAOYSA-N -2 0 411.501 3.521 20 0 HHADRL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000476263045 996715183 /nfs/dbraw/zinc/71/51/83/996715183.db2.gz ZISCWUCTIZHYTR-UHFFFAOYSA-N -2 0 414.277 3.737 20 0 HHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000484499148 996825650 /nfs/dbraw/zinc/82/56/50/996825650.db2.gz LCHORRZLFJCBHJ-UHFFFAOYSA-N -2 0 408.888 3.891 20 0 HHADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1C ZINC000476386653 996832750 /nfs/dbraw/zinc/83/27/50/996832750.db2.gz PCQAYJBVESLHCK-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000484977224 997343518 /nfs/dbraw/zinc/34/35/18/997343518.db2.gz BHILJTBZIQLYAD-UHFFFAOYSA-N -2 0 417.487 3.903 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)c(Cl)cc1C(=O)[O-] ZINC000485259023 997651207 /nfs/dbraw/zinc/65/12/07/997651207.db2.gz ZQPDGMQXAPBAIN-UHFFFAOYSA-N -2 0 413.879 3.943 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c(Cl)cc1C(=O)[O-] ZINC000485286662 997684486 /nfs/dbraw/zinc/68/44/86/997684486.db2.gz GXDMXNMPLUOJKY-UHFFFAOYSA-N -2 0 423.878 3.778 20 0 HHADRL CCOc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477428348 998120119 /nfs/dbraw/zinc/12/01/19/998120119.db2.gz OAYVLEFAUOUVTI-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL CCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1 ZINC000486096593 998544531 /nfs/dbraw/zinc/54/45/31/998544531.db2.gz PRECTLAFGXITTP-UHFFFAOYSA-N -2 0 419.377 3.621 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000479251464 999347150 /nfs/dbraw/zinc/34/71/50/999347150.db2.gz ARAFXOIRDAAYSJ-SNVBAGLBSA-N -2 0 411.863 3.726 20 0 HHADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479252460 999348158 /nfs/dbraw/zinc/34/81/58/999348158.db2.gz BWNUNGQEQSQDRS-UHFFFAOYSA-N -2 0 417.270 3.759 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000479332093 999389612 /nfs/dbraw/zinc/38/96/12/999389612.db2.gz CFRADFPTGDYFTJ-UHFFFAOYSA-N -2 0 405.806 3.791 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(OC(F)(F)F)c1 ZINC000488283720 999423419 /nfs/dbraw/zinc/42/34/19/999423419.db2.gz UQJMIMBAQNQAFH-UHFFFAOYSA-N -2 0 415.267 3.502 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000479519608 999456853 /nfs/dbraw/zinc/45/68/53/999456853.db2.gz UCSZQHMMMBESPS-UHFFFAOYSA-N -2 0 420.281 3.809 20 0 HHADRL Cc1ccc(-n2ncc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2C(C)C)cc1 ZINC000480221735 999748944 /nfs/dbraw/zinc/74/89/44/999748944.db2.gz IOVMHIVLUOJMAM-UHFFFAOYSA-N -2 0 405.501 3.865 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480221588 999749035 /nfs/dbraw/zinc/74/90/35/999749035.db2.gz GUFYLDZSJMAYFL-UHFFFAOYSA-N -2 0 423.796 3.952 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cnn1-c1ccccc1C ZINC000480231151 999751772 /nfs/dbraw/zinc/75/17/72/999751772.db2.gz WHEQTGVTHQDALF-UHFFFAOYSA-N -2 0 417.462 3.690 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1-c1ccccc1Cl ZINC000480239054 999753604 /nfs/dbraw/zinc/75/36/04/999753604.db2.gz DINKGZHQHUOGJA-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000480240739 999754120 /nfs/dbraw/zinc/75/41/20/999754120.db2.gz JUXDZEAJPGPXTG-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000480241379 999754326 /nfs/dbraw/zinc/75/43/26/999754326.db2.gz MYFJLWWIXMYYFY-UHFFFAOYSA-N -2 0 423.853 3.726 20 0 HHADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)O[C@H](C)C2 ZINC000489728223 999826001 /nfs/dbraw/zinc/82/60/01/999826001.db2.gz YOOKPWOWMCIGTL-SNVBAGLBSA-N -2 0 411.863 3.561 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)c(Cl)c1 ZINC000489761718 999833047 /nfs/dbraw/zinc/83/30/47/999833047.db2.gz FMNODTMPIYYRAV-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])cc1Cl ZINC000505123488 1000562020 /nfs/dbraw/zinc/56/20/20/1000562020.db2.gz IAJMJPJIJPBUGR-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)(F)F)cs1 ZINC000505281420 1000667717 /nfs/dbraw/zinc/66/77/17/1000667717.db2.gz OBOJWXKBFVAPFU-UHFFFAOYSA-N -2 0 415.798 3.842 20 0 HHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c1 ZINC000498017410 1001606308 /nfs/dbraw/zinc/60/63/08/1001606308.db2.gz ZHZDMLWMCRLDEL-UHFFFAOYSA-N -2 0 412.305 3.966 20 0 HHADRL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507581384 1002186218 /nfs/dbraw/zinc/18/62/18/1002186218.db2.gz JDPASMYTAWECTI-GFCCVEGCSA-N -2 0 413.879 3.561 20 0 HHADRL COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507582965 1002187776 /nfs/dbraw/zinc/18/77/76/1002187776.db2.gz ZIWGTQCQIXFJMB-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2Cl)cc(C(=O)[O-])c1 ZINC000507617062 1002221822 /nfs/dbraw/zinc/22/18/22/1002221822.db2.gz NLZNMGBVJJQFEA-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)ccc1C(=O)[O-] ZINC000507886171 1002418471 /nfs/dbraw/zinc/41/84/71/1002418471.db2.gz FYTQTMVVOPEBET-UHFFFAOYSA-N -2 0 408.382 3.644 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)ccc1C(=O)[O-] ZINC000507947610 1002481445 /nfs/dbraw/zinc/48/14/45/1002481445.db2.gz DNCUHDWMVUVSLY-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)ccc1C(=O)[O-] ZINC000507951353 1002483695 /nfs/dbraw/zinc/48/36/95/1002483695.db2.gz SUJLKHFTNCHPEV-UHFFFAOYSA-N -2 0 417.418 3.561 20 0 HHADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000509386712 1003815515 /nfs/dbraw/zinc/81/55/15/1003815515.db2.gz RZKCPIHFHHTBFM-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)c2)cn1 ZINC000509396691 1003827401 /nfs/dbraw/zinc/82/74/01/1003827401.db2.gz MLWWLIPFNMRCGM-UHFFFAOYSA-N -2 0 418.496 3.935 20 0 HHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC[C@@H]1CCCCO1 ZINC000509614595 1003982103 /nfs/dbraw/zinc/98/21/03/1003982103.db2.gz SDTAQZWYRRRHQC-HNNXBMFYSA-N -2 0 423.462 3.581 20 0 HHADRL Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(C)c1C(=O)[O-] ZINC000512735635 1004527223 /nfs/dbraw/zinc/52/72/23/1004527223.db2.gz YMLVDPRFLCJOGM-UHFFFAOYSA-N -2 0 417.361 3.519 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000512772150 1004550715 /nfs/dbraw/zinc/55/07/15/1004550715.db2.gz VXVAMWNMSMQADR-UHFFFAOYSA-N -2 0 408.451 3.618 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)c1F ZINC000513456729 1004974758 /nfs/dbraw/zinc/97/47/58/1004974758.db2.gz FINKFSBUIHRTPP-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cncn1 ZINC000511136131 1005038595 /nfs/dbraw/zinc/03/85/95/1005038595.db2.gz RZXFEEQAIAUPSU-UHFFFAOYSA-N -2 0 420.878 3.543 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(OC[C@H]2CCCO2)c1 ZINC000511710969 1005287483 /nfs/dbraw/zinc/28/74/83/1005287483.db2.gz BQJJIUKDYWVDCG-MRXNPFEDSA-N -2 0 419.499 3.669 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)c1 ZINC000504017772 1005533636 /nfs/dbraw/zinc/53/36/36/1005533636.db2.gz BMENUIFRYUKJBK-UHFFFAOYSA-N -2 0 409.769 3.888 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000531364689 1006151594 /nfs/dbraw/zinc/15/15/94/1006151594.db2.gz HDNHQCIIFXCPKZ-UHFFFAOYSA-N -2 0 414.277 3.519 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)NC(C)C)c1C ZINC000515631989 1006568394 /nfs/dbraw/zinc/56/83/94/1006568394.db2.gz KRZQZSYYHDGIMJ-UHFFFAOYSA-N -2 0 424.906 3.594 20 0 HHADRL Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000515633789 1006570051 /nfs/dbraw/zinc/57/00/51/1006570051.db2.gz YDQWQKFTFNBFKK-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC2CCCCC2)c1 ZINC000535025474 1007070284 /nfs/dbraw/zinc/07/02/84/1007070284.db2.gz FKVLTTOVCNEEFK-UHFFFAOYSA-N -2 0 418.471 3.628 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)nn1-c1ccccc1Cl ZINC000539596275 1007917037 /nfs/dbraw/zinc/91/70/37/1007917037.db2.gz WHWMBWDKFBKIHT-UHFFFAOYSA-N -2 0 411.892 3.703 20 0 HHADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000539596657 1007917539 /nfs/dbraw/zinc/91/75/39/1007917539.db2.gz DGJBHEYKYHTDGM-UHFFFAOYSA-N -2 0 413.386 3.528 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)nn1-c1cccc(Cl)c1 ZINC000539598798 1007919542 /nfs/dbraw/zinc/91/95/42/1007919542.db2.gz SHDHNUUVFZZGEF-UHFFFAOYSA-N -2 0 423.853 3.781 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)nn1[C@H](C)C1CC1 ZINC000543161345 1008734670 /nfs/dbraw/zinc/73/46/70/1008734670.db2.gz WXGWKGWINOPJBX-SNVBAGLBSA-N -2 0 417.409 3.680 20 0 HHADRL CO[C@@H](C)c1nc(=NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)s[n-]1 ZINC000549373060 1008955245 /nfs/dbraw/zinc/95/52/45/1008955245.db2.gz ULQNEGZNEJXZLR-LBPRGKRZSA-N -2 0 422.466 3.554 20 0 HHADRL CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000543666014 1009277265 /nfs/dbraw/zinc/27/72/65/1009277265.db2.gz UXBGTOLRZBDHCX-UHFFFAOYSA-N -2 0 421.471 3.589 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c(C)c1CC(=O)[O-] ZINC000543863956 1009431211 /nfs/dbraw/zinc/43/12/11/1009431211.db2.gz NINYJIHBLLMRER-UHFFFAOYSA-N -2 0 417.405 3.764 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1C(F)(F)F ZINC000543868665 1009436621 /nfs/dbraw/zinc/43/66/21/1009436621.db2.gz WVKMIHURDKVISG-UHFFFAOYSA-N -2 0 414.283 3.618 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)cc1C(=O)[O-] ZINC000546534856 1009556341 /nfs/dbraw/zinc/55/63/41/1009556341.db2.gz HFWKKSNSTJCFQF-UHFFFAOYSA-N -2 0 421.805 3.839 20 0 HHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000544095341 1009705672 /nfs/dbraw/zinc/70/56/72/1009705672.db2.gz QBHRGAWKLNEUSJ-ZDUSSCGKSA-N -2 0 405.472 3.887 20 0 HHADRL O=C([O-])c1csc(Cc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)n1 ZINC000544100971 1009711234 /nfs/dbraw/zinc/71/12/34/1009711234.db2.gz PTCYQXWJOLTFQV-UHFFFAOYSA-N -2 0 408.888 3.886 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C(C)C)sc2c1 ZINC000520702446 1009770589 /nfs/dbraw/zinc/77/05/89/1009770589.db2.gz MTAUYPFQDUCFNB-UHFFFAOYSA-N -2 0 406.485 3.927 20 0 HHADRL COCCOc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000547246334 1010192454 /nfs/dbraw/zinc/19/24/54/1010192454.db2.gz ITKWFXCHQUQDNI-UHFFFAOYSA-N -2 0 420.270 3.518 20 0 HHADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)nc1 ZINC000550970886 1010288429 /nfs/dbraw/zinc/28/84/29/1010288429.db2.gz SLRDFCUOQPWDJP-UHFFFAOYSA-N -2 0 419.846 3.730 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)cc1C(=O)[O-] ZINC000550972051 1010289354 /nfs/dbraw/zinc/28/93/54/1010289354.db2.gz LQEMMFLRMIRADQ-UHFFFAOYSA-N -2 0 401.435 3.538 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000547544864 1010345705 /nfs/dbraw/zinc/34/57/05/1010345705.db2.gz AGMOPPVIYKUXSY-UHFFFAOYSA-N -3 0 411.844 3.752 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC000547611743 1010363828 /nfs/dbraw/zinc/36/38/28/1010363828.db2.gz UOAYDJSGMABZLB-UHFFFAOYSA-N -2 0 409.769 3.879 20 0 HHADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551108419 1010374432 /nfs/dbraw/zinc/37/44/32/1010374432.db2.gz AENRAAVEGZIGDS-UHFFFAOYSA-N -2 0 416.833 3.717 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1OCC(F)(F)F ZINC000521527422 1010439990 /nfs/dbraw/zinc/43/99/90/1010439990.db2.gz UFAAKMQXFAKPFK-UHFFFAOYSA-N -2 0 409.407 3.805 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000547881115 1010459513 /nfs/dbraw/zinc/45/95/13/1010459513.db2.gz DJHVEGDQVZDYKI-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000547934496 1010473795 /nfs/dbraw/zinc/47/37/95/1010473795.db2.gz DRVLYLAWEVVTND-UHFFFAOYSA-N -2 0 408.234 3.781 20 0 HHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000548201103 1010560356 /nfs/dbraw/zinc/56/03/56/1010560356.db2.gz CEIOCBBLUVYHFG-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)ccc1OCC(=O)[O-] ZINC000545120801 1010628171 /nfs/dbraw/zinc/62/81/71/1010628171.db2.gz BLGFGOKUJZVKLF-UHFFFAOYSA-N -2 0 421.805 3.514 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])s1 ZINC000548527475 1010656930 /nfs/dbraw/zinc/65/69/30/1010656930.db2.gz IRQQDMWNIVMALM-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1OC(C)C ZINC000522803998 1011236428 /nfs/dbraw/zinc/23/64/28/1011236428.db2.gz CPPOTTBNYPWNHQ-UHFFFAOYSA-N -2 0 413.879 3.564 20 0 HHADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(Br)ccc2F)c(C(=O)[O-])c1 ZINC000523871461 1012567907 /nfs/dbraw/zinc/56/79/07/1012567907.db2.gz NNIHCMGHTBIAJA-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)c(C)c1OCC(=O)[O-] ZINC000523875822 1012572211 /nfs/dbraw/zinc/57/22/11/1012572211.db2.gz XWIDAGKBHLHXPO-UHFFFAOYSA-N -2 0 407.488 3.602 20 0 HHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000541927237 1012787485 /nfs/dbraw/zinc/78/74/85/1012787485.db2.gz FLWNDLYSXWRVRB-UHFFFAOYSA-N -2 0 404.307 3.719 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)cc(C(=O)[O-])c1OC ZINC000614841468 1071756781 /nfs/dbraw/zinc/75/67/81/1071756781.db2.gz NFMSHJOLBFMNHU-UHFFFAOYSA-N -2 0 421.471 3.524 20 0 HHADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccnc3Oc3ccccc3)c1)CCC2 ZINC000614843321 1071760214 /nfs/dbraw/zinc/76/02/14/1071760214.db2.gz BEBPEXDNLVVQFR-UHFFFAOYSA-N -2 0 410.451 3.862 20 0 HHADRL Cc1c(Cl)cc(Cl)cc1Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001211986900 1071847404 /nfs/dbraw/zinc/84/74/04/1071847404.db2.gz ZBGMFGAGCUMDGE-UHFFFAOYSA-N -2 0 412.272 3.539 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)ccc1F ZINC000737757011 1072400652 /nfs/dbraw/zinc/40/06/52/1072400652.db2.gz LIZBQHLUSLEYMP-UHFFFAOYSA-N -2 0 409.382 3.821 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccs2)c1 ZINC000588077829 1072783194 /nfs/dbraw/zinc/78/31/94/1072783194.db2.gz CAXLFJLLCOLWJR-UHFFFAOYSA-N -2 0 408.482 3.561 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)ccc1-n1cccc1C(=O)[O-] ZINC000589148871 1073462538 /nfs/dbraw/zinc/46/25/38/1073462538.db2.gz CMGCDONSHPKPOO-UHFFFAOYSA-N -2 0 422.409 3.886 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000591681581 1074485779 /nfs/dbraw/zinc/48/57/79/1074485779.db2.gz XFXQXVMFMSAHNY-GFCCVEGCSA-N -2 0 422.528 3.570 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)cc1C(=O)[O-] ZINC000524319494 1013137357 /nfs/dbraw/zinc/13/73/57/1013137357.db2.gz BEYCNVROFLCHNR-UHFFFAOYSA-N -2 0 405.472 3.906 20 0 HHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000542236429 1013194026 /nfs/dbraw/zinc/19/40/26/1013194026.db2.gz ZMLYPOBHGLZKCS-LLVKDONJSA-N -2 0 403.378 3.964 20 0 HHADRL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000013342695 962388149 /nfs/dbraw/zinc/38/81/49/962388149.db2.gz UENBGIGXWRDCJH-UHFFFAOYSA-N -2 0 418.254 3.587 20 0 HHADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013341470 962388838 /nfs/dbraw/zinc/38/88/38/962388838.db2.gz DNUBXVMLDDEXCQ-UHFFFAOYSA-N -2 0 418.254 3.669 20 0 HHADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000013340648 962388888 /nfs/dbraw/zinc/38/88/88/962388888.db2.gz PWLFDWHEKWNUQE-UHFFFAOYSA-N -2 0 418.254 3.669 20 0 HHADRL O=C([O-])C1(CC(=O)Nc2ccccc2S(=O)(=O)[N-]c2ccccc2)CCCCC1 ZINC000013469694 962395049 /nfs/dbraw/zinc/39/50/49/962395049.db2.gz RLOGORZMIGUXKT-UHFFFAOYSA-N -2 0 416.499 3.851 20 0 HHADRL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1Cl ZINC000537835888 1013398520 /nfs/dbraw/zinc/39/85/20/1013398520.db2.gz CJQXASOHDOHRBR-UHFFFAOYSA-N -2 0 420.874 3.933 20 0 HHADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cc1Cl ZINC000057119406 965290126 /nfs/dbraw/zinc/29/01/26/965290126.db2.gz ROOLDBRQAVZTHX-UHFFFAOYSA-N -2 0 413.879 3.565 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)cc1C(=O)[O-] ZINC000538012596 1013585476 /nfs/dbraw/zinc/58/54/76/1013585476.db2.gz STUHQJHJBATGEF-UHFFFAOYSA-N -2 0 403.378 3.531 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000058519039 965766595 /nfs/dbraw/zinc/76/65/95/965766595.db2.gz ZQPGVTRLUMBEBN-UHFFFAOYSA-N -2 0 403.378 3.744 20 0 HHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1)C(=O)[O-] ZINC000542731156 1013643333 /nfs/dbraw/zinc/64/33/33/1013643333.db2.gz DSFQOEVYCNGFQR-CYBMUJFWSA-N -2 0 402.497 3.874 20 0 HHADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000037421100 966474215 /nfs/dbraw/zinc/47/42/15/966474215.db2.gz MZJBEDFELXSLMP-UHFFFAOYSA-N -2 0 408.320 3.732 20 0 HHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000063180875 966768089 /nfs/dbraw/zinc/76/80/89/966768089.db2.gz AZLUAHXHULLZQF-UHFFFAOYSA-N -2 0 417.405 3.922 20 0 HHADRL N#CCCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877746 966984067 /nfs/dbraw/zinc/98/40/67/966984067.db2.gz PAPHACHPECZNFM-UHFFFAOYSA-N -2 0 412.826 3.661 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c(Cl)cc1F ZINC000063877061 966984143 /nfs/dbraw/zinc/98/41/43/966984143.db2.gz YQMYIPZEUQRECW-UHFFFAOYSA-N -2 0 412.870 3.968 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)cc(C(=O)[O-])c1OC ZINC000064374807 967159567 /nfs/dbraw/zinc/15/95/67/967159567.db2.gz BHGGIPKSTSYPEJ-UHFFFAOYSA-N -2 0 417.892 3.578 20 0 HHADRL O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000064478075 967204161 /nfs/dbraw/zinc/20/41/61/967204161.db2.gz PFPZSQKPKYHFAA-UHFFFAOYSA-N -2 0 424.450 3.566 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)sc1C(=O)[O-] ZINC000045946661 967604530 /nfs/dbraw/zinc/60/45/30/967604530.db2.gz XLWZVJITIKQDSB-UHFFFAOYSA-N -2 0 404.307 3.935 20 0 HHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)c1 ZINC000048382613 968537079 /nfs/dbraw/zinc/53/70/79/968537079.db2.gz ARZRDVBCYDCNHR-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000097211401 969102729 /nfs/dbraw/zinc/10/27/29/969102729.db2.gz JJBAWJWVHCTYCS-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000110276675 969646621 /nfs/dbraw/zinc/64/66/21/969646621.db2.gz YAPGXEKVCVRSHU-UHFFFAOYSA-N -2 0 413.879 3.538 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)sc1C(=O)[O-] ZINC000110386408 969661382 /nfs/dbraw/zinc/66/13/82/969661382.db2.gz AKWZNZKTEIACSY-UHFFFAOYSA-N -2 0 407.473 3.729 20 0 HHADRL CCc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000320062793 972676533 /nfs/dbraw/zinc/67/65/33/972676533.db2.gz SVQPTMLKFCEPRT-UHFFFAOYSA-N -2 0 402.241 3.650 20 0 HHADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1 ZINC000321168339 972688490 /nfs/dbraw/zinc/68/84/90/972688490.db2.gz XPYNNKHJCZLTOK-UHFFFAOYSA-N -2 0 420.306 3.798 20 0 HHADRL COc1ccccc1[N-]S(=O)(=O)c1cc(Br)c(Cl)c(C(=O)[O-])c1 ZINC000322343830 972699089 /nfs/dbraw/zinc/69/90/89/972699089.db2.gz CXHTVJYLMJUXBC-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000322347875 972699322 /nfs/dbraw/zinc/69/93/22/972699322.db2.gz DXZQOLRDBXHUNK-UHFFFAOYSA-N -2 0 416.318 3.978 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)cc1F ZINC000322981262 972705793 /nfs/dbraw/zinc/70/57/93/972705793.db2.gz PHNYMZJBOOWDNC-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)ccc1C(=O)[O-] ZINC000392953983 972858703 /nfs/dbraw/zinc/85/87/03/972858703.db2.gz FGVJFFKWDMZSGK-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1c(Br)cc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1C(=O)[O-] ZINC000396423620 972869103 /nfs/dbraw/zinc/86/91/03/972869103.db2.gz KDMAVPCQGGSARD-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c(C(=O)[O-])c1 ZINC000410380751 973979211 /nfs/dbraw/zinc/97/92/11/973979211.db2.gz JXIROBDSUSUTDZ-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(Br)cc2)cccc1C(=O)[O-] ZINC000410399382 973999667 /nfs/dbraw/zinc/99/96/67/973999667.db2.gz VFBKTYWWKBOEFM-UHFFFAOYSA-N -2 0 414.277 3.735 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1-c1ccc(F)cc1 ZINC000432082934 978673262 /nfs/dbraw/zinc/67/32/62/978673262.db2.gz WWSCGQXXEKIBGM-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000432089606 978675965 /nfs/dbraw/zinc/67/59/65/978675965.db2.gz KCCUUSZOJHBFOL-UHFFFAOYSA-N -2 0 409.464 3.524 20 0 HHADRL Cc1csc(Sc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2)n1 ZINC000433513865 979349341 /nfs/dbraw/zinc/34/93/41/979349341.db2.gz VULDOSZEAQLKMZ-UHFFFAOYSA-N -2 0 422.509 3.807 20 0 HHADRL Cc1csc(-c2cccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3O)c2)n1 ZINC000436710521 981524172 /nfs/dbraw/zinc/52/41/72/981524172.db2.gz VKVGZGIKMBCNCU-UHFFFAOYSA-N -2 0 404.469 3.632 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c(SCCC(=O)[O-])c1 ZINC000460451227 982244545 /nfs/dbraw/zinc/24/45/45/982244545.db2.gz UDGXBYOUDIWJJK-UHFFFAOYSA-N -2 0 417.512 3.548 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1-c1csc(C)c1 ZINC000437669250 982284554 /nfs/dbraw/zinc/28/45/54/982284554.db2.gz DBPJJARGGUZVGZ-UHFFFAOYSA-N -2 0 418.496 3.555 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461341041 983027956 /nfs/dbraw/zinc/02/79/56/983027956.db2.gz SXFJINNVQZDYMK-UHFFFAOYSA-N -2 0 407.391 3.615 20 0 HHADRL Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C(C)(C)C)ccc12 ZINC000461344624 983030172 /nfs/dbraw/zinc/03/01/72/983030172.db2.gz VUWXXXXMJNIOOY-UHFFFAOYSA-N -2 0 407.517 3.740 20 0 HHADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438806353 983082326 /nfs/dbraw/zinc/08/23/26/983082326.db2.gz AOQCNLCGPCMPJP-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(F)c(OC2CCCCC2)cc1C(=O)[O-] ZINC000462095873 985066757 /nfs/dbraw/zinc/06/67/57/985066757.db2.gz BBEBWQBLNGPCJQ-UHFFFAOYSA-N -2 0 412.439 3.641 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)c(C)c1OCC(=O)[O-] ZINC000443527848 985698783 /nfs/dbraw/zinc/69/87/83/985698783.db2.gz HLSFHXKLUIQQAC-UHFFFAOYSA-N -2 0 407.488 3.571 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2Oc2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC000468969408 986673736 /nfs/dbraw/zinc/67/37/36/986673736.db2.gz NADZMZWSHDQAAH-UHFFFAOYSA-N -2 0 408.382 3.595 20 0 HHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1)C(=O)[O-] ZINC000463782693 986773620 /nfs/dbraw/zinc/77/36/20/986773620.db2.gz NWGNCFRXOQJIFW-LBPRGKRZSA-N -2 0 402.394 3.555 20 0 HHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1)C(=O)[O-] ZINC000463801256 986793067 /nfs/dbraw/zinc/79/30/67/986793067.db2.gz RGFSTIALLHANER-LLVKDONJSA-N -2 0 418.334 3.965 20 0 HHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1)C(=O)[O-] ZINC000463801257 986793408 /nfs/dbraw/zinc/79/34/08/986793408.db2.gz RGFSTIALLHANER-NSHDSACASA-N -2 0 418.334 3.965 20 0 HHADRL Cc1cccc(Oc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)cn2)c1C ZINC000469905851 987538166 /nfs/dbraw/zinc/53/81/66/987538166.db2.gz JSEXCPYGOGQMKC-UHFFFAOYSA-N -2 0 417.425 3.801 20 0 HHADRL O=S(=O)([N-]c1ccc(-c2nc(C3CCSCC3)no2)c([O-])c1)c1cccs1 ZINC000445550297 987609874 /nfs/dbraw/zinc/60/98/74/987609874.db2.gz OMTZFZMYIBDNGK-UHFFFAOYSA-N -2 0 423.541 3.915 20 0 HHADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000471969554 990135317 /nfs/dbraw/zinc/13/53/17/990135317.db2.gz JNQLRYHNFXDUNG-UHFFFAOYSA-N -2 0 413.224 3.569 20 0 HHADRL Cc1ccc(-n2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cn2)c(C)c1 ZINC000466428333 991717924 /nfs/dbraw/zinc/71/79/24/991717924.db2.gz LAYYIWOCYSIKIT-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000481435692 994270669 /nfs/dbraw/zinc/27/06/69/994270669.db2.gz AUUPMXFIEBCDFW-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL CC(C)(C)OC(=O)CCc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000475832856 996401246 /nfs/dbraw/zinc/40/12/46/996401246.db2.gz NEMRRYQCJZUHIQ-UHFFFAOYSA-N -2 0 411.501 3.521 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000475836428 996404537 /nfs/dbraw/zinc/40/45/37/996404537.db2.gz VGQYIKRYEQIASK-UHFFFAOYSA-N -2 0 415.292 3.707 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1Br ZINC000484497200 996821971 /nfs/dbraw/zinc/82/19/71/996821971.db2.gz IQMWNKCROLNYTM-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1Br ZINC000484503206 996830843 /nfs/dbraw/zinc/83/08/43/996830843.db2.gz RVVLGOVJGKKLJP-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000476422854 996890333 /nfs/dbraw/zinc/89/03/33/996890333.db2.gz LPYVBDPRCNLGEY-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1 ZINC000476428476 996898208 /nfs/dbraw/zinc/89/82/08/996898208.db2.gz ZETITNDBKFHTDM-UHFFFAOYSA-N -2 0 421.805 3.757 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])sc1Br ZINC000484809016 997163878 /nfs/dbraw/zinc/16/38/78/997163878.db2.gz NGWGJPVSMKMOGU-UHFFFAOYSA-N -2 0 415.290 3.799 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000484951505 997329145 /nfs/dbraw/zinc/32/91/45/997329145.db2.gz IDNSVIFJCGHNCX-UHFFFAOYSA-N -2 0 418.334 3.982 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1OC ZINC000484974917 997342746 /nfs/dbraw/zinc/34/27/46/997342746.db2.gz JSAMSHCUJWPCPT-UHFFFAOYSA-N -2 0 413.451 3.870 20 0 HHADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000485266997 997660661 /nfs/dbraw/zinc/66/06/61/997660661.db2.gz OZIHSXVGDCYITL-UHFFFAOYSA-N -2 0 414.414 3.577 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)cc(Br)c1O ZINC000477404349 998089285 /nfs/dbraw/zinc/08/92/85/998089285.db2.gz UPGVNJAAKMLOMS-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)c(OC(F)(F)F)c1 ZINC000486106547 998553845 /nfs/dbraw/zinc/55/38/45/998553845.db2.gz GCIJOVFURCWQTN-UHFFFAOYSA-N -2 0 412.345 3.632 20 0 HHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)s1 ZINC000486126685 998575157 /nfs/dbraw/zinc/57/51/57/998575157.db2.gz JJDHZUSXGOEXHH-UHFFFAOYSA-N -2 0 412.533 3.757 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc1C(=O)[O-] ZINC000479239365 999340005 /nfs/dbraw/zinc/34/00/05/999340005.db2.gz KPSYLPCVEBVVAU-UHFFFAOYSA-N -2 0 403.847 3.604 20 0 HHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000479511336 999452646 /nfs/dbraw/zinc/45/26/46/999452646.db2.gz JHTHILYYJIKRLX-UHFFFAOYSA-N -2 0 416.268 3.796 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)sc1C(=O)[O-] ZINC000479583042 999489821 /nfs/dbraw/zinc/48/98/21/999489821.db2.gz VCDWOOHUXTXAJW-UHFFFAOYSA-N -2 0 414.411 3.705 20 0 HHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000480216461 999747802 /nfs/dbraw/zinc/74/78/02/999747802.db2.gz VUCTZRFXYFDERF-UHFFFAOYSA-N -2 0 420.270 3.575 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1Cl ZINC000489343821 999749261 /nfs/dbraw/zinc/74/92/61/999749261.db2.gz FEZQLWPSIJBTNF-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1C(C)C ZINC000480242648 999754754 /nfs/dbraw/zinc/75/47/54/999754754.db2.gz BQAXSSBRSTWNRY-UHFFFAOYSA-N -2 0 421.519 3.655 20 0 HHADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)c1C(C)C ZINC000480251073 999756552 /nfs/dbraw/zinc/75/65/52/999756552.db2.gz SKXILPMDNFKLPV-UHFFFAOYSA-N -2 0 409.508 3.704 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cnn1-c1cccc(C)c1 ZINC000480254194 999757062 /nfs/dbraw/zinc/75/70/62/999757062.db2.gz XFHARDHKPCEZCU-UHFFFAOYSA-N -2 0 413.499 3.859 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000491057141 1000040228 /nfs/dbraw/zinc/04/02/28/1000040228.db2.gz DKQOGYZUUKBZNJ-UHFFFAOYSA-N -2 0 413.480 3.801 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2Cl)cc1C(=O)[O-] ZINC000491058473 1000040413 /nfs/dbraw/zinc/04/04/13/1000040413.db2.gz HFLZDVYBEFZKRC-UHFFFAOYSA-N -2 0 406.847 3.970 20 0 HHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)(F)F)c1 ZINC000505274319 1000662383 /nfs/dbraw/zinc/66/23/83/1000662383.db2.gz NFBLUFLERCZYQV-UHFFFAOYSA-N -2 0 409.769 3.780 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(OCC(F)(F)F)c1 ZINC000506706923 1001499867 /nfs/dbraw/zinc/49/98/67/1001499867.db2.gz JDPARBAYIHJXHT-UHFFFAOYSA-N -2 0 403.378 3.744 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c(C(=O)[O-])cc1OC(F)F ZINC000498013164 1001604539 /nfs/dbraw/zinc/60/45/39/1001604539.db2.gz RRTSNLVWSGUVDH-UHFFFAOYSA-N -2 0 421.805 3.757 20 0 HHADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000507563008 1002168265 /nfs/dbraw/zinc/16/82/65/1002168265.db2.gz FDFSXMSDMDXASU-UHFFFAOYSA-N -2 0 408.234 3.787 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc([O-])c(Br)cc2Br)o1 ZINC000507962736 1002494927 /nfs/dbraw/zinc/49/49/27/1002494927.db2.gz DUKPURWBPNSLDU-UHFFFAOYSA-N -2 0 411.071 3.619 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1cccc(C)c1 ZINC000507969962 1002501091 /nfs/dbraw/zinc/50/10/91/1002501091.db2.gz NAWRFFVLKSOTRR-UHFFFAOYSA-N -2 0 413.499 3.941 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2nn(-c3ccc(Cl)cc3)cc2C)sc1C(=O)[O-] ZINC000499503391 1002892142 /nfs/dbraw/zinc/89/21/42/1002892142.db2.gz FYPBZZSCFYKMTI-UHFFFAOYSA-N -2 0 411.892 3.703 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)sc1C(=O)[O-] ZINC000509397369 1003828594 /nfs/dbraw/zinc/82/85/94/1003828594.db2.gz SLVMUVKEVKLZFO-UHFFFAOYSA-N -2 0 402.497 3.850 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c(C)c1C(=O)[O-] ZINC000512730419 1004523656 /nfs/dbraw/zinc/52/36/56/1004523656.db2.gz RAWUUOYNRNTXKL-UHFFFAOYSA-N -2 0 403.378 3.744 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cnn1-c1cc(C)ccc1C ZINC000512746280 1004533450 /nfs/dbraw/zinc/53/34/50/1004533450.db2.gz FITPJNCIVVSCJG-UHFFFAOYSA-N -2 0 413.499 3.913 20 0 HHADRL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)cc2F)n1 ZINC000512766362 1004547085 /nfs/dbraw/zinc/54/70/85/1004547085.db2.gz IKPJFPOFZHOEFQ-UHFFFAOYSA-N -2 0 421.425 3.575 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c(Cl)cc1C(=O)[O-] ZINC000513817645 1005142378 /nfs/dbraw/zinc/14/23/78/1005142378.db2.gz LZSLQNOMZQRMNF-UHFFFAOYSA-N -2 0 408.819 3.503 20 0 HHADRL CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc2s1 ZINC000513818903 1005143252 /nfs/dbraw/zinc/14/32/52/1005143252.db2.gz MBTDUZRQDPADOD-UHFFFAOYSA-N -2 0 411.482 3.639 20 0 HHADRL CCc1nnc([N-]C(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)s1 ZINC000504048953 1005540763 /nfs/dbraw/zinc/54/07/63/1005540763.db2.gz FKUZMZPOUZHVCI-UHFFFAOYSA-N -2 0 408.530 3.524 20 0 HHADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc1 ZINC000534331777 1006303544 /nfs/dbraw/zinc/30/35/44/1006303544.db2.gz KYTHXGGNXNGKRA-UHFFFAOYSA-N -2 0 416.480 3.658 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)n(-c3cccc(Cl)c3)n2)sc1C(=O)[O-] ZINC000538496314 1006764023 /nfs/dbraw/zinc/76/40/23/1006764023.db2.gz CAHJQNUFZBPKEJ-UHFFFAOYSA-N -2 0 411.892 3.703 20 0 HHADRL O=C([O-])c1ccccc1OCc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[n-]1 ZINC000516376586 1007050362 /nfs/dbraw/zinc/05/03/62/1007050362.db2.gz SYVUQCNCFNSRMO-UHFFFAOYSA-N -2 0 422.418 3.658 20 0 HHADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000535401579 1007468741 /nfs/dbraw/zinc/46/87/41/1007468741.db2.gz MSSDOZTUYIXCHE-UHFFFAOYSA-N -2 0 411.863 3.555 20 0 HHADRL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000535686429 1007719286 /nfs/dbraw/zinc/71/92/86/1007719286.db2.gz NHDPHNBBWYKQLK-UHFFFAOYSA-N -2 0 417.306 3.590 20 0 HHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)cc1Cl ZINC000535894242 1007914176 /nfs/dbraw/zinc/91/41/76/1007914176.db2.gz IIJWCHBOUQJWSM-UHFFFAOYSA-N -2 0 424.233 3.649 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000533689042 1008013192 /nfs/dbraw/zinc/01/31/92/1008013192.db2.gz FIJRPAMRDBWLGE-UHFFFAOYSA-N -2 0 400.236 3.702 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(Br)c(F)c1 ZINC000540295071 1008370874 /nfs/dbraw/zinc/37/08/74/1008370874.db2.gz KPEYWZPXMVSTMN-UHFFFAOYSA-N -2 0 412.233 3.596 20 0 HHADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c(Cl)c1 ZINC000543159664 1008731511 /nfs/dbraw/zinc/73/15/11/1008731511.db2.gz DCPZNDKPFHDSDI-NSHDSACASA-N -2 0 411.863 3.506 20 0 HHADRL CCOc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C(=O)[O-])cc1OCC ZINC000520504388 1009598356 /nfs/dbraw/zinc/59/83/56/1009598356.db2.gz UOYXBNBRHKZFQQ-UHFFFAOYSA-N -2 0 417.842 3.776 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2sc(-c3ccccc3)nc2C)cc1CC(=O)[O-] ZINC000544096250 1009706762 /nfs/dbraw/zinc/70/67/62/1009706762.db2.gz DWKNZFUFCPSZHP-UHFFFAOYSA-N -2 0 418.496 3.555 20 0 HHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000544099162 1009709134 /nfs/dbraw/zinc/70/91/34/1009709134.db2.gz IIJCNYAADKWIJM-UHFFFAOYSA-N -2 0 418.496 3.691 20 0 HHADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c(C(=O)[O-])c1 ZINC000547546288 1010346286 /nfs/dbraw/zinc/34/62/86/1010346286.db2.gz FTXPXCSPEKRREA-UHFFFAOYSA-N -2 0 417.270 3.759 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c(O)c1 ZINC000547865909 1010457300 /nfs/dbraw/zinc/45/73/00/1010457300.db2.gz HOCZVTLZNRURIS-UHFFFAOYSA-N -2 0 410.860 3.668 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)c(C(=O)[O-])c2)s1 ZINC000551470449 1010606109 /nfs/dbraw/zinc/60/61/09/1010606109.db2.gz BQBNMNGVWFHIGJ-UHFFFAOYSA-N -2 0 404.307 3.880 20 0 HHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000548537355 1010659031 /nfs/dbraw/zinc/65/90/31/1010659031.db2.gz 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ZINC000588077902 1072783905 /nfs/dbraw/zinc/78/39/05/1072783905.db2.gz LAQRBZDZVRTSFJ-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)cc1F ZINC000555121095 1073162490 /nfs/dbraw/zinc/16/24/90/1073162490.db2.gz RPHMOBRWBVWGCL-UHFFFAOYSA-N -2 0 413.386 3.528 20 0 HHADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000591683827 1074487286 /nfs/dbraw/zinc/48/72/86/1074487286.db2.gz WXCBJEFJULNDRC-UHFFFAOYSA-N -3 0 415.876 3.649 20 0 HHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000010516272 961836922 /nfs/dbraw/zinc/83/69/22/961836922.db2.gz IGESGVGLRXLISG-UHFFFAOYSA-N -2 0 409.769 3.780 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2csc(C)n2)cc1 ZINC000013032139 962360558 /nfs/dbraw/zinc/36/05/58/962360558.db2.gz AAVWSCLOOYQIPY-UHFFFAOYSA-N -2 0 404.469 3.626 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000013264843 962381344 /nfs/dbraw/zinc/38/13/44/962381344.db2.gz QTTPYDOINXTQMC-UHFFFAOYSA-N -2 0 424.194 3.967 20 0 HHADRL COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000013268105 962382294 /nfs/dbraw/zinc/38/22/94/962382294.db2.gz KKSILCYQLOKWBB-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)cc1 ZINC000025509958 964289682 /nfs/dbraw/zinc/28/96/82/964289682.db2.gz LMRVQFZXYAFQLP-UHFFFAOYSA-N -2 0 421.368 3.585 20 0 HHADRL CCCCOc1ccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c(C)c1 ZINC000057120329 965292138 /nfs/dbraw/zinc/29/21/38/965292138.db2.gz AMLMBPSKOAEOSY-UHFFFAOYSA-N -2 0 407.488 3.610 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C(=O)[O-])c1 ZINC000060362434 966111678 /nfs/dbraw/zinc/11/16/78/966111678.db2.gz YGQHALVJUTYYGX-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)c1 ZINC000060376641 966121126 /nfs/dbraw/zinc/12/11/26/966121126.db2.gz JJUMOQCOPPWTEO-UHFFFAOYSA-N -3 0 413.407 3.676 20 0 HHADRL 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/nfs/dbraw/zinc/66/23/60/978662360.db2.gz SBTNCLNQCJATEG-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)c1 ZINC000433523882 979357080 /nfs/dbraw/zinc/35/70/80/979357080.db2.gz DXINTDPKMUAJRZ-UHFFFAOYSA-N -2 0 413.879 3.652 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435500005 980904788 /nfs/dbraw/zinc/90/47/88/980904788.db2.gz FCEHUEMENYTLDT-UHFFFAOYSA-N -2 0 420.245 3.981 20 0 HHADRL C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)C1 ZINC000436508079 981408595 /nfs/dbraw/zinc/40/85/95/981408595.db2.gz BUMQOIDNLPMRLP-ZIAGYGMSSA-N -2 0 408.545 3.763 20 0 HHADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000436687295 981512592 /nfs/dbraw/zinc/51/25/92/981512592.db2.gz IMWYWDKUWCCGLM-UHFFFAOYSA-N -2 0 409.508 3.566 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c1 ZINC000436726997 981533920 /nfs/dbraw/zinc/53/39/20/981533920.db2.gz XJNNDJYOSGVPFV-UHFFFAOYSA-N -2 0 413.451 3.779 20 0 HHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436826820 981578672 /nfs/dbraw/zinc/57/86/72/981578672.db2.gz RABPXVUAMAPOCP-UHFFFAOYSA-N -2 0 404.469 3.632 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])s1 ZINC000460828142 982578881 /nfs/dbraw/zinc/57/88/81/982578881.db2.gz AATYDKXZLOZARV-UHFFFAOYSA-N -2 0 415.290 3.799 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2OC[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC000440817823 983919906 /nfs/dbraw/zinc/91/99/06/983919906.db2.gz REUSNBVOQJZTMC-INIZCTEOSA-N -2 0 419.499 3.696 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)OC)cc1C(=O)[O-] ZINC000440825538 983924593 /nfs/dbraw/zinc/92/45/93/983924593.db2.gz JZHFNQAJNBNWIM-UHFFFAOYSA-N -2 0 405.472 3.658 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000462100135 985070926 /nfs/dbraw/zinc/07/09/26/985070926.db2.gz GJYULTKEVVPANP-UHFFFAOYSA-N -2 0 423.340 3.622 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000462100496 985071741 /nfs/dbraw/zinc/07/17/41/985071741.db2.gz HBSVXVPPRVACTD-UHFFFAOYSA-N -2 0 404.419 3.580 20 0 HHADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000462104103 985074674 /nfs/dbraw/zinc/07/46/74/985074674.db2.gz QGCWOITZIJAYTN-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL C[C@@]1(CNC(=O)c2ccc([O-])c(Cl)c2)CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000442820763 985227654 /nfs/dbraw/zinc/22/76/54/985227654.db2.gz AHNJEWGGLSNIJA-FQEVSTJZSA-N -2 0 423.296 3.687 20 0 HHADRL CCc1cccc(Cc2cnc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)s2)c1 ZINC000468568248 986273680 /nfs/dbraw/zinc/27/36/80/986273680.db2.gz CBLCXQSYYTXLRC-UHFFFAOYSA-N -2 0 421.482 3.606 20 0 HHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-] ZINC000463798704 986790843 /nfs/dbraw/zinc/79/08/43/986790843.db2.gz UMACKGQQGMODDM-LBPRGKRZSA-N -2 0 402.394 3.555 20 0 HHADRL Cc1ccnc(Oc2cc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)ccc2C)c1 ZINC000469603512 987267441 /nfs/dbraw/zinc/26/74/41/987267441.db2.gz VFHWMGUTIOEHNJ-UHFFFAOYSA-N -2 0 417.425 3.801 20 0 HHADRL Cc1cc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000464703475 988916374 /nfs/dbraw/zinc/91/63/74/988916374.db2.gz BMFHPTFMEICDMU-UHFFFAOYSA-N -2 0 413.846 3.774 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000471118006 989222767 /nfs/dbraw/zinc/22/27/67/989222767.db2.gz YNDUYLIRBMNCBR-INIZCTEOSA-N -2 0 419.499 3.669 20 0 HHADRL O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cc(F)cc(Cl)c1[O-] ZINC000471950110 990114505 /nfs/dbraw/zinc/11/45/05/990114505.db2.gz BHTPEPARUQBEHV-UHFFFAOYSA-N -2 0 400.790 3.921 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000471974477 990140978 /nfs/dbraw/zinc/14/09/78/990140978.db2.gz ZIYJZNIXFQTEFY-UHFFFAOYSA-N -2 0 415.267 3.502 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1ccccc1 ZINC000466472290 991763122 /nfs/dbraw/zinc/76/31/22/991763122.db2.gz GDKMZGLDOUULCR-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1OC ZINC000467320333 992641855 /nfs/dbraw/zinc/64/18/55/992641855.db2.gz XVMXTGAEAYPTTG-UHFFFAOYSA-N -2 0 412.272 3.571 20 0 HHADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1OC ZINC000481450570 994287041 /nfs/dbraw/zinc/28/70/41/994287041.db2.gz QZKRKTBLNPCHTN-UHFFFAOYSA-N -2 0 424.233 3.649 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccc(C)o2)ccc1C ZINC000475829527 996398141 /nfs/dbraw/zinc/39/81/41/996398141.db2.gz GLRNAVJFALPUBZ-UHFFFAOYSA-N -2 0 415.467 4.000 20 0 HHADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c1O ZINC000476381840 996824890 /nfs/dbraw/zinc/82/48/90/996824890.db2.gz XUNVICLTDZZICG-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)ccc1Br ZINC000484935072 997312019 /nfs/dbraw/zinc/31/20/19/997312019.db2.gz KNRSFLMVMUJQCA-UHFFFAOYSA-N -2 0 413.274 3.558 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1OC ZINC000484987897 997349608 /nfs/dbraw/zinc/34/96/08/997349608.db2.gz OPUDXVFNYRGZHA-UHFFFAOYSA-N -2 0 419.377 3.530 20 0 HHADRL CCSc1cccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000485276631 997670807 /nfs/dbraw/zinc/67/08/07/997670807.db2.gz VMXBHMZBJDRCOM-UHFFFAOYSA-N -2 0 401.893 3.960 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c(Cl)cc1C(=O)[O-] ZINC000486104024 998551096 /nfs/dbraw/zinc/55/10/96/998551096.db2.gz WENDHBPFODQWQM-UHFFFAOYSA-N -2 0 423.874 3.830 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(OC(F)(F)F)c1 ZINC000486110362 998557834 /nfs/dbraw/zinc/55/78/34/998557834.db2.gz MXIQJIWVOBGMFN-UHFFFAOYSA-N -2 0 415.267 3.502 20 0 HHADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1 ZINC000479269790 999357229 /nfs/dbraw/zinc/35/72/29/999357229.db2.gz UOFUGAUFJLCBNX-UHFFFAOYSA-N -2 0 421.805 3.757 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(OC(F)(F)F)c1 ZINC000488265542 999416463 /nfs/dbraw/zinc/41/64/63/999416463.db2.gz SDHZOARJULZXIP-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccccc3C(=O)c3ccccc3)ccc12 ZINC000479484267 999438185 /nfs/dbraw/zinc/43/81/85/999438185.db2.gz ANJXKNIGJZRFOW-UHFFFAOYSA-N -2 0 420.446 3.898 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479535053 999465175 /nfs/dbraw/zinc/46/51/75/999465175.db2.gz YYGURSGTGZKXAY-UHFFFAOYSA-N -2 0 418.374 3.694 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)cc1C(=O)[O-] ZINC000479555458 999475433 /nfs/dbraw/zinc/47/54/33/999475433.db2.gz FHSNCJYHSGNLME-UHFFFAOYSA-N -2 0 422.409 3.952 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)c(C)c1C(=O)[O-] ZINC000479561145 999478214 /nfs/dbraw/zinc/47/82/14/999478214.db2.gz WVVPHDATEXTGGH-UHFFFAOYSA-N -2 0 422.409 3.952 20 0 HHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000480198579 999742781 /nfs/dbraw/zinc/74/27/81/999742781.db2.gz ODSRIFMTCFOKES-UHFFFAOYSA-N -2 0 404.271 3.820 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000480199063 999743120 /nfs/dbraw/zinc/74/31/20/999743120.db2.gz JZAJVPWZQKQFRP-UHFFFAOYSA-N -2 0 413.499 3.805 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1cccc(Cl)c1 ZINC000480221714 999748949 /nfs/dbraw/zinc/74/89/49/999748949.db2.gz GYEOTLOMFRSUMB-UHFFFAOYSA-N -2 0 423.853 3.726 20 0 HHADRL Cc1ccc(-n2ncc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2C(C)C)cc1 ZINC000480227297 999750364 /nfs/dbraw/zinc/75/03/64/999750364.db2.gz PXFYXEHRVKBMSE-UHFFFAOYSA-N -2 0 417.462 3.942 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)c(Cl)c1 ZINC000489586470 999797729 /nfs/dbraw/zinc/79/77/29/999797729.db2.gz OKMRPWGHAULGOF-UHFFFAOYSA-N -2 0 419.846 3.766 20 0 HHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1)C(=O)[O-] ZINC000504666321 1000316288 /nfs/dbraw/zinc/31/62/88/1000316288.db2.gz RPPKWODVMRDXEJ-JTQLQIEISA-N -2 0 416.318 3.815 20 0 HHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000507580130 1002184971 /nfs/dbraw/zinc/18/49/71/1002184971.db2.gz BEWHTZUNDUVLSW-LBPRGKRZSA-N -2 0 423.512 3.874 20 0 HHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1)C(=O)[O-] ZINC000507622420 1002226735 /nfs/dbraw/zinc/22/67/35/1002226735.db2.gz SVYSEXREWIFZRG-MRVPVSSYSA-N -2 0 407.847 3.984 20 0 HHADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000509387629 1003817171 /nfs/dbraw/zinc/81/71/71/1003817171.db2.gz NXPPBFUWOCXELK-UHFFFAOYSA-N -2 0 419.377 3.710 20 0 HHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000509566411 1003949085 /nfs/dbraw/zinc/94/90/85/1003949085.db2.gz FDYXNUQIZVSNRL-UHFFFAOYSA-N -2 0 411.451 3.577 20 0 HHADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512734814 1004525776 /nfs/dbraw/zinc/52/57/76/1004525776.db2.gz UIXYVGPPWCISNB-UHFFFAOYSA-N -2 0 410.448 3.560 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)c1 ZINC000512772070 1004550922 /nfs/dbraw/zinc/55/09/22/1004550922.db2.gz UPPWWGMJXCYUDN-UHFFFAOYSA-N -2 0 422.478 3.926 20 0 HHADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000511236586 1005085748 /nfs/dbraw/zinc/08/57/48/1005085748.db2.gz TUOLIHKUAKDKCP-UHFFFAOYSA-N -2 0 407.488 3.724 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c(Br)c1 ZINC000513817850 1005142432 /nfs/dbraw/zinc/14/24/32/1005142432.db2.gz QCEWXRLTVNFLCO-UHFFFAOYSA-N -2 0 423.244 3.603 20 0 HHADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c(C(=O)[O-])c1 ZINC000511721907 1005292521 /nfs/dbraw/zinc/29/25/21/1005292521.db2.gz JCBAMJXZOFHHEI-UHFFFAOYSA-N -2 0 420.462 3.507 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OC[C@H]2CCCCO2)cc1C(=O)[O-] ZINC000511722288 1005292657 /nfs/dbraw/zinc/29/26/57/1005292657.db2.gz KMUKIZUGXASGQL-MRXNPFEDSA-N -2 0 419.499 3.750 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000504292625 1005590948 /nfs/dbraw/zinc/59/09/48/1005590948.db2.gz BBIZEDIGVMURPB-UHFFFAOYSA-N -2 0 420.409 3.813 20 0 HHADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])cc1 ZINC000514853321 1006173548 /nfs/dbraw/zinc/17/35/48/1006173548.db2.gz WVBOEHKZLJJOPR-UHFFFAOYSA-N -2 0 416.480 3.873 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cc1C(=O)[O-] ZINC000534498974 1006497288 /nfs/dbraw/zinc/49/72/88/1006497288.db2.gz QMRDRYQWDRNBOR-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1cc(-c2csc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)n2)ccc1F ZINC000532420528 1006864764 /nfs/dbraw/zinc/86/47/64/1006864764.db2.gz XSZITIJMVXPZOV-UHFFFAOYSA-N -2 0 411.418 3.568 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)nc1 ZINC000517157953 1007468200 /nfs/dbraw/zinc/46/82/00/1007468200.db2.gz BABKJXLNAYUWFN-UHFFFAOYSA-N -2 0 408.432 3.882 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)cc1C(=O)[O-] ZINC000535508150 1007563629 /nfs/dbraw/zinc/56/36/29/1007563629.db2.gz MBMNRASESRIDJF-UHFFFAOYSA-N -2 0 401.435 3.593 20 0 HHADRL Cc1cc(Br)c(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000539769634 1008087225 /nfs/dbraw/zinc/08/72/25/1008087225.db2.gz ABVAWFPTBQBJRI-UHFFFAOYSA-N -2 0 414.277 3.579 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000543163324 1008737896 /nfs/dbraw/zinc/73/78/96/1008737896.db2.gz HFFJZZORFHLJKK-UHFFFAOYSA-N -2 0 421.425 3.602 20 0 HHADRL C[C@@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)C1 ZINC000520141190 1009294178 /nfs/dbraw/zinc/29/41/78/1009294178.db2.gz ISJLETQTUMJPAZ-RHSMWYFYSA-N -2 0 406.504 3.619 20 0 HHADRL CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)c1 ZINC000520244687 1009364881 /nfs/dbraw/zinc/36/48/81/1009364881.db2.gz GIVDSUOCAOOEJG-UHFFFAOYSA-N -2 0 413.879 3.809 20 0 HHADRL Cc1ccccc1CNc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000543940346 1009533516 /nfs/dbraw/zinc/53/35/16/1009533516.db2.gz OMQHXNXPMLRZSB-UHFFFAOYSA-N -2 0 415.453 3.917 20 0 HHADRL O=S(=O)([N-]c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000546629702 1009639284 /nfs/dbraw/zinc/63/92/84/1009639284.db2.gz BYDWKHNEVDFHGF-UHFFFAOYSA-N -2 0 424.450 3.566 20 0 HHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1)C(=O)[O-] ZINC000544628994 1010252092 /nfs/dbraw/zinc/25/20/92/1010252092.db2.gz AEBSPPAVMIUILE-SECBINFHSA-N -2 0 404.307 3.575 20 0 HHADRL CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000544724957 1010332422 /nfs/dbraw/zinc/33/24/22/1010332422.db2.gz HGZBZQOESPXAGA-UHFFFAOYSA-N -2 0 416.318 3.811 20 0 HHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)C(=O)[O-] ZINC000547611742 1010363497 /nfs/dbraw/zinc/36/34/97/1010363497.db2.gz GVVAXDGKZJYXBO-LLVKDONJSA-N -2 0 403.378 3.649 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551108517 1010374243 /nfs/dbraw/zinc/37/42/43/1010374243.db2.gz DEJMBQMVNFLMEJ-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nc(C(C)C)no2)cc1 ZINC000521531068 1010442837 /nfs/dbraw/zinc/44/28/37/1010442837.db2.gz PGZMXJLXSGAACT-UHFFFAOYSA-N -2 0 407.473 3.729 20 0 HHADRL Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000548198541 1010559535 /nfs/dbraw/zinc/55/95/35/1010559535.db2.gz WJKFBHJMSBIUSD-UHFFFAOYSA-N -2 0 405.472 3.798 20 0 HHADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000548229650 1010566632 /nfs/dbraw/zinc/56/66/32/1010566632.db2.gz XUESFNRIGYCISA-UHFFFAOYSA-N -2 0 424.194 3.674 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1OC ZINC000548589753 1010674274 /nfs/dbraw/zinc/67/42/74/1010674274.db2.gz FSBKMJMMMAUTBS-UHFFFAOYSA-N -2 0 420.270 3.651 20 0 HHADRL COc1cc(C)c([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c(C(=O)[O-])c1 ZINC000548767956 1010725908 /nfs/dbraw/zinc/72/59/08/1010725908.db2.gz LBQVQGPLCFLKAK-UHFFFAOYSA-N -2 0 423.340 3.540 20 0 HHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000541000101 1011634687 /nfs/dbraw/zinc/63/46/87/1011634687.db2.gz FMNQGQIIYVXFOA-UHFFFAOYSA-N -2 0 416.268 3.796 20 0 HHADRL CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC000541126663 1011784417 /nfs/dbraw/zinc/78/44/17/1011784417.db2.gz FPOUHYHHXDQSDK-UHFFFAOYSA-N -2 0 403.378 3.780 20 0 HHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000541928682 1012789630 /nfs/dbraw/zinc/78/96/30/1012789630.db2.gz YWXGSPANTOPHRX-UHFFFAOYSA-N -2 0 416.268 3.796 20 0 HHADRL CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000614841526 1071757454 /nfs/dbraw/zinc/75/74/54/1071757454.db2.gz RJJNKTVNEFVHNY-UHFFFAOYSA-N -2 0 410.517 3.509 20 0 HHADRL Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000729665887 1071780758 /nfs/dbraw/zinc/78/07/58/1071780758.db2.gz ONMJBIWZEGNZDD-UHFFFAOYSA-N -2 0 423.903 3.724 20 0 HHADRL CN(C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C1CCCCC1 ZINC000614869248 1071928396 /nfs/dbraw/zinc/92/83/96/1071928396.db2.gz PSRUXACGBKMESS-UHFFFAOYSA-N -2 0 422.528 3.652 20 0 HHADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1C ZINC000912980748 1072311210 /nfs/dbraw/zinc/31/12/10/1072311210.db2.gz RHMNGPPKGGPEAD-UHFFFAOYSA-N -2 0 418.254 3.587 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc(C(F)(F)F)c1 ZINC000737756165 1072331546 /nfs/dbraw/zinc/33/15/46/1072331546.db2.gz DHZPOAMNIQEYIH-UHFFFAOYSA-N -2 0 415.176 3.906 20 0 HHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000588624314 1073063928 /nfs/dbraw/zinc/06/39/28/1073063928.db2.gz JHRQZWNBRVZNRV-UHFFFAOYSA-N -2 0 422.459 3.669 20 0 HHADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000555119568 1073177415 /nfs/dbraw/zinc/17/74/15/1073177415.db2.gz NYUFAUTWDNNVBV-UHFFFAOYSA-N -2 0 417.405 3.921 20 0 HHADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1C ZINC000904000355 1074173786 /nfs/dbraw/zinc/17/37/86/1074173786.db2.gz ZPNPAOLMGMZRST-UHFFFAOYSA-N -2 0 417.270 3.759 20 0 HHADRL Cc1cc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000303783939 972025158 /nfs/dbraw/zinc/02/51/58/972025158.db2.gz HDZDWSJUEOGOGE-UHFFFAOYSA-N -2 0 418.457 3.852 20 0 HHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000542237466 1013196409 /nfs/dbraw/zinc/19/64/09/1013196409.db2.gz VWPPDJWZTGPBIE-UHFFFAOYSA-N -2 0 403.504 3.684 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000013264946 962382209 /nfs/dbraw/zinc/38/22/09/962382209.db2.gz AHFGDXYTZHFDMM-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])[C@H](CC(=O)Nc1ccccc1S(=O)(=O)[N-]c1ccccc1)c1ccccc1 ZINC000013469696 962394797 /nfs/dbraw/zinc/39/47/97/962394797.db2.gz ZIECAOWMCZDHOO-GOSISDBHSA-N -2 0 424.478 3.684 20 0 HHADRL O=C([O-])[C@@H](CC(=O)N[N-]C(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000054500463 965544180 /nfs/dbraw/zinc/54/41/80/965544180.db2.gz WJVIRTLJIPFQOO-ZDUSSCGKSA-N -2 0 402.859 3.574 20 0 HHADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058488371 965750457 /nfs/dbraw/zinc/75/04/57/965750457.db2.gz XRWXCXJSTLXUQM-UHFFFAOYSA-N -2 0 418.254 3.669 20 0 HHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000058494441 965754687 /nfs/dbraw/zinc/75/46/87/965754687.db2.gz JWMOSZNBSSVORP-UHFFFAOYSA-N -2 0 408.785 3.813 20 0 HHADRL CCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1 ZINC000032588531 966288402 /nfs/dbraw/zinc/28/84/02/966288402.db2.gz GPUKFMLEFSJRKF-UHFFFAOYSA-N -2 0 404.307 3.962 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)c1 ZINC000032596871 966290527 /nfs/dbraw/zinc/29/05/27/966290527.db2.gz NOKWKHVQZSNVRE-UHFFFAOYSA-N -2 0 407.444 3.965 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1)C(=O)[O-] ZINC000542740070 1013652662 /nfs/dbraw/zinc/65/26/62/1013652662.db2.gz OVBCPWJDKUPSSX-JTQLQIEISA-N -2 0 416.268 3.652 20 0 HHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)cc2)c1 ZINC000038230112 966478767 /nfs/dbraw/zinc/47/87/67/966478767.db2.gz GTZXLBNSMQUQTN-UHFFFAOYSA-N -2 0 414.414 3.577 20 0 HHADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877432 966984057 /nfs/dbraw/zinc/98/40/57/966984057.db2.gz QPDZKBWJVVYUPJ-UHFFFAOYSA-N -2 0 423.853 3.781 20 0 HHADRL Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000065078973 967367794 /nfs/dbraw/zinc/36/77/94/967367794.db2.gz CPMBPLZLVWFJFL-UHFFFAOYSA-N -2 0 424.906 3.533 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1-c1ccc(C)cc1 ZINC000538299192 1013834567 /nfs/dbraw/zinc/83/45/67/1013834567.db2.gz SOYDZMQCHJQHEX-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL CSc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)cc1 ZINC000320163461 972675813 /nfs/dbraw/zinc/67/58/13/972675813.db2.gz LJKJQLZWOIOXJM-UHFFFAOYSA-N -2 0 420.281 3.809 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c(C)c1 ZINC000320119165 972675997 /nfs/dbraw/zinc/67/59/97/972675997.db2.gz DKEBQFYFJGFUJU-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000322659142 972702301 /nfs/dbraw/zinc/70/23/01/972702301.db2.gz ZRWVLMQHSZKSLB-UHFFFAOYSA-N -2 0 419.684 3.613 20 0 HHADRL Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000322776352 972703389 /nfs/dbraw/zinc/70/33/89/972703389.db2.gz HJPOEZOGKJPKIW-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000324358824 972721082 /nfs/dbraw/zinc/72/10/82/972721082.db2.gz HJKAUFUMKINOST-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC000326862976 972748902 /nfs/dbraw/zinc/74/89/02/972748902.db2.gz VHMBRUQGLKFAFF-UHFFFAOYSA-N -2 0 423.244 3.603 20 0 HHADRL CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000391665596 972843432 /nfs/dbraw/zinc/84/34/32/972843432.db2.gz RWHSGMQCLPDKOS-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)ccc1F ZINC000410366264 973960452 /nfs/dbraw/zinc/96/04/52/973960452.db2.gz PMYSJCBEHGQYLY-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427200539 974973512 /nfs/dbraw/zinc/97/35/12/974973512.db2.gz PVJHCPGEHYNEJK-UHFFFAOYSA-N -2 0 412.876 3.766 20 0 HHADRL Cc1c(COc2ccccc2)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433527064 979359023 /nfs/dbraw/zinc/35/90/23/979359023.db2.gz XXGVSYPWLIUXHV-UHFFFAOYSA-N -2 0 413.451 3.779 20 0 HHADRL CC(C)Oc1ccc(Br)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000433601511 979417344 /nfs/dbraw/zinc/41/73/44/979417344.db2.gz YOIWOLADMGNMAT-UHFFFAOYSA-N -2 0 420.306 3.797 20 0 HHADRL O=S(=O)([N-]c1ccc(-c2nc([C@H]3CCCS3)no2)c([O-])c1)c1cccs1 ZINC000436938022 981634900 /nfs/dbraw/zinc/63/49/00/981634900.db2.gz SKYRIRAZAGTHOW-CYBMUJFWSA-N -2 0 409.514 3.873 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)c1 ZINC000436956281 981645874 /nfs/dbraw/zinc/64/58/74/981645874.db2.gz PWCWDLWMIRZUOV-UHFFFAOYSA-N -2 0 421.418 3.696 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC(F)(F)F)c(F)c1 ZINC000448550844 981875162 /nfs/dbraw/zinc/87/51/62/981875162.db2.gz ZGCAINIBEUOSNR-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(SCCC(=O)[O-])c1 ZINC000460451644 982245526 /nfs/dbraw/zinc/24/55/26/982245526.db2.gz VJPZVMXCWLAYGK-UHFFFAOYSA-N -2 0 405.419 3.780 20 0 HHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cs1 ZINC000437672503 982287334 /nfs/dbraw/zinc/28/73/34/982287334.db2.gz ZJTNVDMFVWNIGQ-UHFFFAOYSA-N -2 0 402.497 3.937 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000460822820 982574552 /nfs/dbraw/zinc/57/45/52/982574552.db2.gz HKFFYNZHIJZABZ-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL O=S(=O)(CCc1ccccc1Br)[N-]c1cc(F)cc(Cl)c1[O-] ZINC000461339154 983027105 /nfs/dbraw/zinc/02/71/05/983027105.db2.gz NXDVOHDTTXKYCG-UHFFFAOYSA-N -2 0 408.676 3.932 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)c(F)c1 ZINC000438785184 983069127 /nfs/dbraw/zinc/06/91/27/983069127.db2.gz MXOBZJICRADPDR-UHFFFAOYSA-N -2 0 407.419 3.756 20 0 HHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438793140 983074472 /nfs/dbraw/zinc/07/44/72/983074472.db2.gz RLPHIRIMRJMJLJ-UHFFFAOYSA-N -2 0 407.341 3.742 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1nncn1C(C)C ZINC000440296547 983710043 /nfs/dbraw/zinc/71/00/43/983710043.db2.gz LXCVKAYCFZVAKE-UHFFFAOYSA-N -2 0 414.487 3.587 20 0 HHADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000462071191 985043592 /nfs/dbraw/zinc/04/35/92/985043592.db2.gz CHULFSWHQBNZOB-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000462073631 985045449 /nfs/dbraw/zinc/04/54/49/985045449.db2.gz YFEIXICOPKHQFF-UHFFFAOYSA-N -2 0 403.412 3.888 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2c(OC)ccc(Br)c2C(=O)[O-])cc1 ZINC000462104810 985075644 /nfs/dbraw/zinc/07/56/44/985075644.db2.gz UGXBZNMDKGGXQA-UHFFFAOYSA-N -2 0 414.277 3.519 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000443390064 985546536 /nfs/dbraw/zinc/54/65/36/985546536.db2.gz SWCWGNSZLBYWKQ-UHFFFAOYSA-N -2 0 404.419 3.660 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)c1 ZINC000443529827 985701620 /nfs/dbraw/zinc/70/16/20/985701620.db2.gz NEIMYEQSRXVLCR-UHFFFAOYSA-N -2 0 413.370 3.717 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCCC(F)(F)F ZINC000443529713 985701708 /nfs/dbraw/zinc/70/17/08/985701708.db2.gz MLZBJGCDTXRHNM-UHFFFAOYSA-N -2 0 421.368 3.964 20 0 HHADRL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000468515026 986217603 /nfs/dbraw/zinc/21/76/03/986217603.db2.gz ISGYYGRNKPVUCD-LBPRGKRZSA-N -2 0 413.879 3.561 20 0 HHADRL COc1ccccc1-c1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000468884015 986590525 /nfs/dbraw/zinc/59/05/25/986590525.db2.gz GQFQNHFLEIUNLU-UHFFFAOYSA-N -2 0 402.410 3.672 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c2ncccc12 ZINC000463783691 986774625 /nfs/dbraw/zinc/77/46/25/986774625.db2.gz CEQUINCSPZOEGP-UHFFFAOYSA-N -2 0 404.419 3.580 20 0 HHADRL Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000471581583 989784920 /nfs/dbraw/zinc/78/49/20/989784920.db2.gz JHLOIQKNCMWOHP-CYBMUJFWSA-N -2 0 419.890 3.953 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000467752959 992998778 /nfs/dbraw/zinc/99/87/78/992998778.db2.gz IJGOGRNWYXLBKA-UHFFFAOYSA-N -2 0 408.819 3.928 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CN2CCc3ccccc32)cc1 ZINC000467761266 993005581 /nfs/dbraw/zinc/00/55/81/993005581.db2.gz XDMRMXCPJRONOE-UHFFFAOYSA-N -2 0 412.467 3.650 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCCc1ccccc1 ZINC000467767098 993009524 /nfs/dbraw/zinc/00/95/24/993009524.db2.gz DBLGTJGJBNOEAC-UHFFFAOYSA-N -2 0 401.440 3.709 20 0 HHADRL CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481979883 994875865 /nfs/dbraw/zinc/87/58/65/994875865.db2.gz VQPJURDUSOOLPR-UHFFFAOYSA-N -2 0 417.405 3.922 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c(Br)c1 ZINC000484207766 996635725 /nfs/dbraw/zinc/63/57/25/996635725.db2.gz YEMKSXWXRLLMCU-UHFFFAOYSA-N -2 0 421.272 3.943 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(SCCC(=O)[O-])c1 ZINC000484494518 996818374 /nfs/dbraw/zinc/81/83/74/996818374.db2.gz CWMWRSZBZCHQRM-UHFFFAOYSA-N -2 0 405.419 3.780 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(SCCC(=O)[O-])c1 ZINC000484495386 996819327 /nfs/dbraw/zinc/81/93/27/996819327.db2.gz BJYOBEOOERWLPD-UHFFFAOYSA-N -2 0 408.476 3.983 20 0 HHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000476420994 996885441 /nfs/dbraw/zinc/88/54/41/996885441.db2.gz FUDTZAOVVKJLEV-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)o1 ZINC000476423828 996891470 /nfs/dbraw/zinc/89/14/70/996891470.db2.gz MAGMQHXNMSYRNZ-UHFFFAOYSA-N -2 0 407.835 3.506 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(Br)c1O ZINC000484606545 996939541 /nfs/dbraw/zinc/93/95/41/996939541.db2.gz OIKXWXNPKNQKFK-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000484974086 997342414 /nfs/dbraw/zinc/34/24/14/997342414.db2.gz UYBIWDJOIRBGQM-UHFFFAOYSA-N -2 0 403.378 3.532 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000484985532 997348716 /nfs/dbraw/zinc/34/87/16/997348716.db2.gz IHLMRSLOJYYNCG-UHFFFAOYSA-N -2 0 421.368 3.671 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c(Cl)cc1C(=O)[O-] ZINC000485266565 997660779 /nfs/dbraw/zinc/66/07/79/997660779.db2.gz NUFZQAWEXJUPHP-UHFFFAOYSA-N -2 0 423.878 3.778 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC(F)(F)F ZINC000477403825 998089557 /nfs/dbraw/zinc/08/95/57/998089557.db2.gz JNPHDCRZNVPXFA-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL CCOc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000477448598 998151314 /nfs/dbraw/zinc/15/13/14/998151314.db2.gz OFDBFUKZAYDSIB-UHFFFAOYSA-N -2 0 420.306 3.717 20 0 HHADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1F ZINC000486086454 998534060 /nfs/dbraw/zinc/53/40/60/998534060.db2.gz CNDGABOJDPGRNZ-UHFFFAOYSA-N -2 0 423.340 3.540 20 0 HHADRL CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486096935 998545709 /nfs/dbraw/zinc/54/57/09/998545709.db2.gz FBAILGRYZGWCCK-UHFFFAOYSA-N -2 0 407.391 3.806 20 0 HHADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1 ZINC000486100300 998547647 /nfs/dbraw/zinc/54/76/47/998547647.db2.gz ZWOJYXZCESNLPH-SNVBAGLBSA-N -2 0 419.377 3.792 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(OC(F)(F)F)c1 ZINC000486101266 998548372 /nfs/dbraw/zinc/54/83/72/998548372.db2.gz NXDBQIHHJOHGMC-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000486207928 998646066 /nfs/dbraw/zinc/64/60/66/998646066.db2.gz YZIVAFCKEDBUPL-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1C(=O)[O-] ZINC000479233986 999336503 /nfs/dbraw/zinc/33/65/03/999336503.db2.gz IWFXTEYIBBSPBT-UHFFFAOYSA-N -2 0 409.769 3.888 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)cc1 ZINC000488315439 999436757 /nfs/dbraw/zinc/43/67/57/999436757.db2.gz ZVCRGTGRDZGUKN-UHFFFAOYSA-N -2 0 409.891 3.947 20 0 HHADRL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000479496060 999444387 /nfs/dbraw/zinc/44/43/87/999444387.db2.gz MCODVNBRCKZWBF-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1-c1cccc(C)c1 ZINC000480199051 999743105 /nfs/dbraw/zinc/74/31/05/999743105.db2.gz JYMRNGCPGBASNT-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1cccc(Cl)c1 ZINC000480217580 999748074 /nfs/dbraw/zinc/74/80/74/999748074.db2.gz BSBJSYSQTIIKOT-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccc(Cl)cc1 ZINC000480228869 999750802 /nfs/dbraw/zinc/75/08/02/999750802.db2.gz TZVUQMDOMNTDDD-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2cnn(-c3ccc(C)cc3)c2C(C)C)cc1C(=O)[O-] ZINC000480240567 999754199 /nfs/dbraw/zinc/75/41/99/999754199.db2.gz JDDGXEZPEOTQRJ-UHFFFAOYSA-N -2 0 416.503 3.625 20 0 HHADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)O[C@@H](C)C2 ZINC000489728221 999826021 /nfs/dbraw/zinc/82/60/21/999826021.db2.gz YOOKPWOWMCIGTL-JTQLQIEISA-N -2 0 411.863 3.561 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cc1F ZINC000489742729 999829172 /nfs/dbraw/zinc/82/91/72/999829172.db2.gz UOTLWYKEYGRUNC-UHFFFAOYSA-N -2 0 406.366 3.651 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)c(Cl)c1 ZINC000489747965 999830170 /nfs/dbraw/zinc/83/01/70/999830170.db2.gz ZLVUCFWUPHESNR-UHFFFAOYSA-N -2 0 418.862 3.502 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2Br)cccc1C(=O)[O-] ZINC000491583992 1000086028 /nfs/dbraw/zinc/08/60/28/1000086028.db2.gz OWQDRMSYQJQLIS-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL CSc1ccc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1Cl ZINC000504507393 1000239892 /nfs/dbraw/zinc/23/98/92/1000239892.db2.gz IOZHVZZIRKRYNF-UHFFFAOYSA-N -2 0 401.893 3.716 20 0 HHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1)C(=O)[O-] ZINC000504666322 1000316176 /nfs/dbraw/zinc/31/61/76/1000316176.db2.gz RPPKWODVMRDXEJ-SNVBAGLBSA-N -2 0 416.318 3.815 20 0 HHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000504703278 1000333165 /nfs/dbraw/zinc/33/31/65/1000333165.db2.gz NRPPRTINPAXJEB-SNVBAGLBSA-N -2 0 403.428 3.654 20 0 HHADRL CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cn(CC(=O)[O-])nn2)C1 ZINC000494482413 1000516698 /nfs/dbraw/zinc/51/66/98/1000516698.db2.gz LBHKHQOCLXQWNX-SSUFTNFISA-N -2 0 420.469 3.758 20 0 HHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000498018803 1001607561 /nfs/dbraw/zinc/60/75/61/1001607561.db2.gz KHADINCRUYOFSM-UHFFFAOYSA-N -2 0 412.305 3.921 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)ccc1C(=O)[O-] ZINC000507887858 1002420388 /nfs/dbraw/zinc/42/03/88/1002420388.db2.gz AMHSHFVSXRBIMP-UHFFFAOYSA-N -2 0 405.419 3.990 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000508027469 1002550202 /nfs/dbraw/zinc/55/02/02/1002550202.db2.gz VJFLUHKVYCSHEG-UHFFFAOYSA-N -2 0 404.469 3.530 20 0 HHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000499350015 1002749400 /nfs/dbraw/zinc/74/94/00/1002749400.db2.gz VPVPFMMJQMJQDR-UHFFFAOYSA-N -2 0 403.485 3.828 20 0 HHADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000500359521 1003658265 /nfs/dbraw/zinc/65/82/65/1003658265.db2.gz PZIJJUMKJIHCFT-UHFFFAOYSA-N -2 0 420.270 3.575 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)c1 ZINC000509396962 1003828211 /nfs/dbraw/zinc/82/82/11/1003828211.db2.gz PFZKWLPYHANSMW-UHFFFAOYSA-N -2 0 413.274 3.558 20 0 HHADRL O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F)c1ccccc1 ZINC000509592253 1003966581 /nfs/dbraw/zinc/96/65/81/1003966581.db2.gz SVGQSZWKJUSUAV-UHFFFAOYSA-N -2 0 424.450 3.566 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)c1 ZINC000512724447 1004519749 /nfs/dbraw/zinc/51/97/49/1004519749.db2.gz CRQKIRZLBUATLR-UHFFFAOYSA-N -2 0 408.451 3.536 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C(C)C)n2)c1 ZINC000512732349 1004524370 /nfs/dbraw/zinc/52/43/70/1004524370.db2.gz DXXFERYBSGDALT-UHFFFAOYSA-N -2 0 418.450 3.542 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1 ZINC000512753186 1004537639 /nfs/dbraw/zinc/53/76/39/1004537639.db2.gz WALFPTMMVZDPSG-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2cccnc2Oc2cccc(C)c2C)cc1C(=O)[O-] ZINC000504252641 1005582837 /nfs/dbraw/zinc/58/28/37/1005582837.db2.gz JCVXGSKVENCWRA-UHFFFAOYSA-N -2 0 415.471 3.811 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000531489449 1006227828 /nfs/dbraw/zinc/22/78/28/1006227828.db2.gz QPBNKBJCKNFHJX-UHFFFAOYSA-N -3 0 410.256 3.561 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)sc1C(=O)[O-] ZINC000515837438 1006710122 /nfs/dbraw/zinc/71/01/22/1006710122.db2.gz AXOZDIJXRZTUEM-UHFFFAOYSA-N -2 0 413.527 3.558 20 0 HHADRL O=C([O-])c1ccc(F)c(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)c1 ZINC000538505159 1006771591 /nfs/dbraw/zinc/77/15/91/1006771591.db2.gz IRMMIAMWUSIDHC-UHFFFAOYSA-N -2 0 420.443 3.639 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2-c2nc3ccccc3[nH]2)c[nH]1 ZINC000517688230 1007902095 /nfs/dbraw/zinc/90/20/95/1007902095.db2.gz SGKZYXOCUKDPQY-UHFFFAOYSA-N -2 0 416.846 3.710 20 0 HHADRL Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000539805552 1008107055 /nfs/dbraw/zinc/10/70/55/1008107055.db2.gz FOGBPZMBFNQCLG-SNVBAGLBSA-N -2 0 413.503 3.604 20 0 HHADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1C ZINC000540496559 1008455852 /nfs/dbraw/zinc/45/58/52/1008455852.db2.gz BVMWMKUHQJQNEP-VIFPVBQESA-N -2 0 405.398 3.680 20 0 HHADRL C[C@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)C1 ZINC000520141192 1009293461 /nfs/dbraw/zinc/29/34/61/1009293461.db2.gz ISJLETQTUMJPAZ-YOEHRIQHSA-N -2 0 406.504 3.619 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000543951169 1009550832 /nfs/dbraw/zinc/55/08/32/1009550832.db2.gz UGGNFACCPBXYQO-UHFFFAOYSA-N -2 0 413.499 3.886 20 0 HHADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000544098322 1009708426 /nfs/dbraw/zinc/70/84/26/1009708426.db2.gz GNMSVNMXULXRGW-UHFFFAOYSA-N -2 0 419.425 3.674 20 0 HHADRL COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000547547184 1010346502 /nfs/dbraw/zinc/34/65/02/1010346502.db2.gz RVBDQSPHXQIVCN-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC[C@H]1CCCCO1 ZINC000521527311 1010440013 /nfs/dbraw/zinc/44/00/13/1010440013.db2.gz NUNFKNYTBSOFNS-CYBMUJFWSA-N -2 0 411.501 3.503 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c2cccnc12 ZINC000547940355 1010474414 /nfs/dbraw/zinc/47/44/14/1010474414.db2.gz YGJVCEFDVFUQFE-UHFFFAOYSA-N -2 0 400.456 3.829 20 0 HHADRL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000548150524 1010546047 /nfs/dbraw/zinc/54/60/47/1010546047.db2.gz PQIDSSSQKVBALM-UHFFFAOYSA-N -2 0 409.261 3.738 20 0 HHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000548201076 1010560189 /nfs/dbraw/zinc/56/01/89/1010560189.db2.gz AGNCVAFWMHJSIQ-UHFFFAOYSA-N -2 0 400.243 3.677 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1OC ZINC000548260048 1010573628 /nfs/dbraw/zinc/57/36/28/1010573628.db2.gz LRLURCUIKRCGCD-UHFFFAOYSA-N -2 0 420.270 3.651 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000548524881 1010656663 /nfs/dbraw/zinc/65/66/63/1010656663.db2.gz CKLSIHYVWDNLGR-UHFFFAOYSA-N -3 0 423.752 3.556 20 0 HHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000548528391 1010657344 /nfs/dbraw/zinc/65/73/44/1010657344.db2.gz BSUUHIBYHDGJHW-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cnn1-c1ccccc1 ZINC000541082745 1011723816 /nfs/dbraw/zinc/72/38/16/1011723816.db2.gz GZDBJNFTHLUHJF-UHFFFAOYSA-N -2 0 413.499 3.534 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2ncc3ccccc32)cc1 ZINC000537196428 1012613810 /nfs/dbraw/zinc/61/38/10/1012613810.db2.gz PEBSOQBWXUIHFY-UHFFFAOYSA-N -2 0 423.450 3.533 20 0 HHADRL C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC000783863975 1072490060 /nfs/dbraw/zinc/49/00/60/1072490060.db2.gz QETBEAGPDHOBIQ-VIFPVBQESA-N -2 0 415.826 3.556 20 0 HHADRL O=C([O-])c1c[nH]c(=O)c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)ccc12 ZINC000555206188 1073258851 /nfs/dbraw/zinc/25/88/51/1073258851.db2.gz MVISYXFXHKHSDT-UHFFFAOYSA-N -2 0 418.374 3.520 20 0 HHADRL O=C([O-])COc1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)cc1Br ZINC000555463692 1073512188 /nfs/dbraw/zinc/51/21/88/1073512188.db2.gz OUGGLIWIKJGKBI-KXFIGUGUSA-N -2 0 418.199 3.922 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)sc1C(=O)[O-] ZINC000591683354 1074486852 /nfs/dbraw/zinc/48/68/52/1074486852.db2.gz UYILIKJKADLFGZ-UHFFFAOYSA-N -2 0 404.469 3.530 20 0 HHADRL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000302970150 971426266 /nfs/dbraw/zinc/42/62/66/971426266.db2.gz NVPDECZZFVJIOB-UHFFFAOYSA-N -2 0 401.831 3.640 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1-c1cccc(F)c1 ZINC000542235599 1013192698 /nfs/dbraw/zinc/19/26/98/1013192698.db2.gz IGSSOQLLGAAIKR-UHFFFAOYSA-N -2 0 421.425 3.602 20 0 HHADRL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013278785 962382527 /nfs/dbraw/zinc/38/25/27/962382527.db2.gz AIWFHOWFEXNJHS-UHFFFAOYSA-N -2 0 418.254 3.587 20 0 HHADRL CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000013340665 962388081 /nfs/dbraw/zinc/38/80/81/962388081.db2.gz MVPCFFCCWDADND-UHFFFAOYSA-N -2 0 411.863 3.796 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(Cl)cc1Cl ZINC000013340865 962388735 /nfs/dbraw/zinc/38/87/35/962388735.db2.gz BZHJBHXABMVMLV-UHFFFAOYSA-N -2 0 409.178 3.540 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(OC)c1 ZINC000013341112 962388949 /nfs/dbraw/zinc/38/89/49/962388949.db2.gz ZLRXYGKYHRXIHE-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1OCCC ZINC000013359906 962390886 /nfs/dbraw/zinc/39/08/86/962390886.db2.gz JDYLOCGXMPHYFJ-UHFFFAOYSA-N -2 0 423.487 3.772 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000054294847 965463626 /nfs/dbraw/zinc/46/36/26/965463626.db2.gz CJWBXXYXJRUMJX-UHFFFAOYSA-N -2 0 413.451 3.915 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)cc1Cl ZINC000538012807 1013585284 /nfs/dbraw/zinc/58/52/84/1013585284.db2.gz LLYVSKIVHCIDJB-UHFFFAOYSA-N -2 0 409.769 3.622 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1C(=O)[O-] ZINC000055591926 965946420 /nfs/dbraw/zinc/94/64/20/965946420.db2.gz SPYBSSXMQWGKKS-UHFFFAOYSA-N -2 0 409.423 3.553 20 0 HHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1)C(=O)[O-] ZINC000542740074 1013652584 /nfs/dbraw/zinc/65/25/84/1013652584.db2.gz OVBCPWJDKUPSSX-SNVBAGLBSA-N -2 0 416.268 3.652 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1)C(=O)[O-] ZINC000542739691 1013652736 /nfs/dbraw/zinc/65/27/36/1013652736.db2.gz RBTUGDYWPAAAID-JTQLQIEISA-N -2 0 416.268 3.652 20 0 HHADRL CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000063848622 966976494 /nfs/dbraw/zinc/97/64/94/966976494.db2.gz RYCNEFXJEHCKRT-UHFFFAOYSA-N -2 0 411.435 3.575 20 0 HHADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000064478037 967204095 /nfs/dbraw/zinc/20/40/95/967204095.db2.gz QOQISSVVXKDALU-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000064478039 967204330 /nfs/dbraw/zinc/20/43/30/967204330.db2.gz QJCGBVRGDVFNGA-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc(C(F)(F)F)c1 ZINC000110204839 969636844 /nfs/dbraw/zinc/63/68/44/969636844.db2.gz QWWGQQFKJNGLFU-UHFFFAOYSA-N -2 0 415.176 3.906 20 0 HHADRL CSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000314422536 972639503 /nfs/dbraw/zinc/63/95/03/972639503.db2.gz XXBZVDKLBMEIFX-UHFFFAOYSA-N -2 0 402.291 3.670 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)ccc1Br ZINC000317963294 972657484 /nfs/dbraw/zinc/65/74/84/972657484.db2.gz KDIOOSFFAZIVQN-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1F ZINC000318200146 972659368 /nfs/dbraw/zinc/65/93/68/972659368.db2.gz OBFYYWSLULVFBS-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL CCc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000322243565 972698812 /nfs/dbraw/zinc/69/88/12/972698812.db2.gz ORXDZIUZEPPEBS-UHFFFAOYSA-N -2 0 402.241 3.650 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)cs1 ZINC000322777256 972703098 /nfs/dbraw/zinc/70/30/98/972703098.db2.gz LJODJNUCYPLRBI-UHFFFAOYSA-N -2 0 413.274 3.558 20 0 HHADRL COc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323660601 972713854 /nfs/dbraw/zinc/71/38/54/972713854.db2.gz AOHKZZNNMRHHCR-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000325852679 972736607 /nfs/dbraw/zinc/73/66/07/972736607.db2.gz JVZRCDCSZKXIML-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c2cccnc12 ZINC000326820251 972748149 /nfs/dbraw/zinc/74/81/49/972748149.db2.gz XOBZWUDOSVGFKI-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cccc1C(=O)[O-] ZINC000410398724 973998035 /nfs/dbraw/zinc/99/80/35/973998035.db2.gz APKGCAWJYOUFJL-UHFFFAOYSA-N -2 0 405.472 3.686 20 0 HHADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000430975170 977921813 /nfs/dbraw/zinc/92/18/13/977921813.db2.gz JPYUIMTVWAHKLA-UHFFFAOYSA-N -2 0 405.472 3.695 20 0 HHADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1F ZINC000432614779 978911852 /nfs/dbraw/zinc/91/18/52/978911852.db2.gz FTIJWFFJSWHECL-UHFFFAOYSA-N -2 0 413.224 3.569 20 0 HHADRL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)cc1C(C)C ZINC000432690181 978937750 /nfs/dbraw/zinc/93/77/50/978937750.db2.gz NGQSRXOHIWLMDE-UHFFFAOYSA-N -2 0 423.487 3.643 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[N-]c3ccccc3)c(F)cc2C)o1 ZINC000432781722 978973152 /nfs/dbraw/zinc/97/31/52/978973152.db2.gz SKXLKVONUVPRCE-UHFFFAOYSA-N -2 0 424.475 3.637 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cnn1C1CCCC1 ZINC000435722216 981002718 /nfs/dbraw/zinc/00/27/18/981002718.db2.gz HXJFTHLVQLTENO-UHFFFAOYSA-N -2 0 417.409 3.824 20 0 HHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000436476088 981393213 /nfs/dbraw/zinc/39/32/13/981393213.db2.gz HWDIWINREDTBFI-UHFFFAOYSA-N -2 0 409.769 3.872 20 0 HHADRL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436852777 981591521 /nfs/dbraw/zinc/59/15/21/981591521.db2.gz AYINUFQTODAMQV-UHFFFAOYSA-N -2 0 413.451 3.875 20 0 HHADRL CC(=O)c1ccc([O-])c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000436863192 981596380 /nfs/dbraw/zinc/59/63/80/981596380.db2.gz SRXIVTGQFLRTSR-UHFFFAOYSA-N -2 0 410.451 3.648 20 0 HHADRL CN(C(=O)c1c([O-])cccc1F)[C@H]1CCCC[C@@H]1N(C)C(=O)c1c([O-])cccc1F ZINC000436904758 981610918 /nfs/dbraw/zinc/61/09/18/981610918.db2.gz ZWULJEJMQHPTNB-HOTGVXAUSA-N -2 0 418.440 3.531 20 0 HHADRL CC[C@@](C)(OC)c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000436957366 981646566 /nfs/dbraw/zinc/64/65/66/981646566.db2.gz XDNHTSQAOQJEHA-QGZVFWFLSA-N -2 0 409.489 3.576 20 0 HHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccccc2COCc2ccccc2)c1 ZINC000436996625 981675175 /nfs/dbraw/zinc/67/51/75/981675175.db2.gz UKJVUTGDGZMTDZ-UHFFFAOYSA-N -2 0 413.451 3.608 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000460827323 982578088 /nfs/dbraw/zinc/57/80/88/982578088.db2.gz BFVDVFQCYDLMHY-UHFFFAOYSA-N -2 0 409.435 3.655 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])s1 ZINC000460842935 982591029 /nfs/dbraw/zinc/59/10/29/982591029.db2.gz OSZCPSHWOWRYGY-UHFFFAOYSA-N -2 0 404.307 3.935 20 0 HHADRL Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438761693 983053055 /nfs/dbraw/zinc/05/30/55/983053055.db2.gz CEVYKGNXHJJEIQ-UHFFFAOYSA-N -2 0 408.451 3.618 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000440816872 983919228 /nfs/dbraw/zinc/91/92/28/983919228.db2.gz NSNLNYFDYCAYGZ-INIZCTEOSA-N -2 0 419.499 3.614 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C(C)C)n2)cc1C(=O)[O-] ZINC000441322835 984182865 /nfs/dbraw/zinc/18/28/65/984182865.db2.gz LFBKUFYXDCVKDC-UHFFFAOYSA-N -2 0 414.487 3.657 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(Cl)c1 ZINC000462068076 985040186 /nfs/dbraw/zinc/04/01/86/985040186.db2.gz PXQVLTPZSKTJJI-UHFFFAOYSA-N -3 0 423.752 3.556 20 0 HHADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000462100147 985070764 /nfs/dbraw/zinc/07/07/64/985070764.db2.gz GONFUIXTKOMENG-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468186986 985870275 /nfs/dbraw/zinc/87/02/75/985870275.db2.gz PGBSQSYUTDGRGS-UHFFFAOYSA-N -2 0 414.849 3.829 20 0 HHADRL Cc1ccccc1COc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000468845517 986555690 /nfs/dbraw/zinc/55/56/90/986555690.db2.gz FWGJCCPIJKJHBR-UHFFFAOYSA-N -2 0 416.437 3.884 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(C)c(C)cc3C)[nH]n2)cc1C(=O)[O-] ZINC000444419106 986601067 /nfs/dbraw/zinc/60/10/67/986601067.db2.gz MYNZLKQMBSOEKI-UHFFFAOYSA-N -2 0 415.471 3.510 20 0 HHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc1)C(=O)[O-] ZINC000463780279 986771079 /nfs/dbraw/zinc/77/10/79/986771079.db2.gz XHQKTJONRNSWPD-KRWDZBQOSA-N -2 0 407.536 3.610 20 0 HHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1)C(=O)[O-] ZINC000463784812 986775199 /nfs/dbraw/zinc/77/51/99/986775199.db2.gz ULQZMPFJSSEONW-LLVKDONJSA-N -2 0 418.334 3.965 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2c(C)noc2-c2ccccc2)c(Cl)cc1C(=O)[O-] ZINC000463800810 986792469 /nfs/dbraw/zinc/79/24/69/986792469.db2.gz RETOKXPQOHOMNL-UHFFFAOYSA-N -2 0 422.846 3.811 20 0 HHADRL CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000471950820 990115338 /nfs/dbraw/zinc/11/53/38/990115338.db2.gz BQKJFWOCIZMJKZ-UHFFFAOYSA-N -2 0 416.318 3.978 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)c(C)c1F ZINC000471987113 990153804 /nfs/dbraw/zinc/15/38/04/990153804.db2.gz WAQYNMWAUKTUAO-UHFFFAOYSA-N -2 0 423.340 3.540 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000471988088 990154520 /nfs/dbraw/zinc/15/45/20/990154520.db2.gz GMIXFQLDPKKBSN-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000466354889 991619540 /nfs/dbraw/zinc/61/95/40/991619540.db2.gz RRSLPLUAWIWCPB-UHFFFAOYSA-N -2 0 416.499 3.510 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000467752301 992998071 /nfs/dbraw/zinc/99/80/71/992998071.db2.gz FICXKONDIREBSS-UHFFFAOYSA-N -2 0 402.428 3.891 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2-c2nc(C3CC3)no2)sc1C(=O)[O-] ZINC000476386656 996832152 /nfs/dbraw/zinc/83/21/52/996832152.db2.gz PDILQRUGVYPNQM-UHFFFAOYSA-N -2 0 419.484 3.791 20 0 HHADRL Cc1c(COC(C)(C)C)cccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000476386731 996832409 /nfs/dbraw/zinc/83/24/09/996832409.db2.gz QIMFLEPEEORXEP-UHFFFAOYSA-N -2 0 421.471 3.507 20 0 HHADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476391466 996842380 /nfs/dbraw/zinc/84/23/80/996842380.db2.gz RLKAHQCVGFMPSO-UHFFFAOYSA-N -2 0 417.270 3.759 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c(Cl)cc1C(=O)[O-] ZINC000484686319 997025578 /nfs/dbraw/zinc/02/55/78/997025578.db2.gz AZZBFWIXZSGCTA-UHFFFAOYSA-N -2 0 407.831 3.706 20 0 HHADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)s1 ZINC000484796365 997147757 /nfs/dbraw/zinc/14/77/57/997147757.db2.gz YMHBQBKLXGRUFM-UHFFFAOYSA-N -2 0 405.501 3.730 20 0 HHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1Br ZINC000484796655 997148540 /nfs/dbraw/zinc/14/85/40/997148540.db2.gz LZBVPDCWRCMYBO-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000484980082 997344779 /nfs/dbraw/zinc/34/47/79/997344779.db2.gz WZKNWSCJOHBKGP-UHFFFAOYSA-N -2 0 403.378 3.532 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)c(Cl)cc1C(=O)[O-] ZINC000485293596 997696249 /nfs/dbraw/zinc/69/62/49/997696249.db2.gz RBKPDKSOSZCDPQ-UHFFFAOYSA-N -2 0 422.846 3.811 20 0 HHADRL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000485388602 997816402 /nfs/dbraw/zinc/81/64/02/997816402.db2.gz JCLUKPILQHBHCN-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000477423744 998113373 /nfs/dbraw/zinc/11/33/73/998113373.db2.gz PHZVWKXACMHOBI-HNNXBMFYSA-N -2 0 414.483 3.789 20 0 HHADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1 ZINC000486100299 998547753 /nfs/dbraw/zinc/54/77/53/998547753.db2.gz ZWOJYXZCESNLPH-JTQLQIEISA-N -2 0 419.377 3.792 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C(C)C)ccc1OCC(=O)[O-] ZINC000486127882 998575905 /nfs/dbraw/zinc/57/59/05/998575905.db2.gz WKKFUTXUAJIHHQ-UHFFFAOYSA-N -2 0 423.535 3.625 20 0 HHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000486127881 998576088 /nfs/dbraw/zinc/57/60/88/998576088.db2.gz WKBFGIIFDLQMID-UHFFFAOYSA-N -2 0 408.423 3.922 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479242237 999341614 /nfs/dbraw/zinc/34/16/14/999341614.db2.gz LQAXYALHIWLYJX-UHFFFAOYSA-N -2 0 415.876 3.568 20 0 HHADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479255437 999349811 /nfs/dbraw/zinc/34/98/11/999349811.db2.gz YZSMUGWXMBFIKA-UHFFFAOYSA-N -2 0 419.890 3.950 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479350930 999398519 /nfs/dbraw/zinc/39/85/19/999398519.db2.gz ZLQZBULKAGMRIJ-UHFFFAOYSA-N -2 0 415.876 3.568 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(OC(F)(F)F)c1 ZINC000488262686 999415163 /nfs/dbraw/zinc/41/51/63/999415163.db2.gz KTNOOSGDTAIYBH-UHFFFAOYSA-N -2 0 413.732 3.877 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(Br)ccc1O ZINC000479467182 999430191 /nfs/dbraw/zinc/43/01/91/999430191.db2.gz KHKDCQDFTNPOJQ-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(OC(F)(F)F)c1 ZINC000488316733 999437045 /nfs/dbraw/zinc/43/70/45/999437045.db2.gz HLTPMFRHAIXVPE-UHFFFAOYSA-N -2 0 418.324 3.705 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)cc1C(=O)[O-] ZINC000479557687 999476854 /nfs/dbraw/zinc/47/68/54/999476854.db2.gz VAHAZUFLDJXFIM-UHFFFAOYSA-N -2 0 408.382 3.644 20 0 HHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000479573648 999485014 /nfs/dbraw/zinc/48/50/14/999485014.db2.gz LYPONOJUECRREQ-MRXNPFEDSA-N -2 0 423.490 3.982 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000489289196 999738043 /nfs/dbraw/zinc/73/80/43/999738043.db2.gz NSKBURFNIBRAGQ-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000480250240 999756315 /nfs/dbraw/zinc/75/63/15/999756315.db2.gz QXCNEANUPIOCGD-UHFFFAOYSA-N -2 0 411.892 3.649 20 0 HHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1)C(=O)[O-] ZINC000489405766 999760265 /nfs/dbraw/zinc/76/02/65/999760265.db2.gz HZFFKHIGWZLBAC-SNVBAGLBSA-N -2 0 421.368 3.788 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc(Cl)c1Cl ZINC000489410305 999761234 /nfs/dbraw/zinc/76/12/34/999761234.db2.gz RCSMJSBXVJGDIX-UHFFFAOYSA-N -2 0 415.176 3.906 20 0 HHADRL CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000489694936 999818973 /nfs/dbraw/zinc/81/89/73/999818973.db2.gz CPCNSYBCOAWVBX-UHFFFAOYSA-N -2 0 424.906 3.757 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)c(Cl)c1 ZINC000489738343 999828477 /nfs/dbraw/zinc/82/84/77/999828477.db2.gz CADFCHQWHDEQAJ-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489739609 999828654 /nfs/dbraw/zinc/82/86/54/999828654.db2.gz OOQBVLZQDYHDAV-UHFFFAOYSA-N -2 0 410.879 3.742 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC(F)(F)F ZINC000505294501 1000678506 /nfs/dbraw/zinc/67/85/06/1000678506.db2.gz VTUCDECJXHKWPJ-UHFFFAOYSA-N -2 0 421.368 3.828 20 0 HHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000498011315 1001603449 /nfs/dbraw/zinc/60/34/49/1001603449.db2.gz HCKHPTKCUKZRJQ-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000507007954 1001761368 /nfs/dbraw/zinc/76/13/68/1001761368.db2.gz NDHOQROIDGUOCU-UHFFFAOYSA-N -2 0 417.842 3.532 20 0 HHADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507939296 1002473795 /nfs/dbraw/zinc/47/37/95/1002473795.db2.gz PMSXUYGGGJGSKD-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)ccc1C(=O)[O-] ZINC000507951419 1002483656 /nfs/dbraw/zinc/48/36/56/1002483656.db2.gz UKNQHMAJCQTHEZ-UHFFFAOYSA-N -2 0 421.368 3.964 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000512776587 1004552724 /nfs/dbraw/zinc/55/27/24/1004552724.db2.gz QGCFTGRWQMEPRF-UHFFFAOYSA-N -2 0 413.426 3.864 20 0 HHADRL CCN=c1[n-]nc(SCc2ccccc2CSc2n[n-]c(=NCC)s2)s1 ZINC000510661209 1004785779 /nfs/dbraw/zinc/78/57/79/1004785779.db2.gz UVLUHLCCDSUZLH-UHFFFAOYSA-N -2 0 424.646 3.682 20 0 HHADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2SC2CCCC2)c1 ZINC000515452587 1006473607 /nfs/dbraw/zinc/47/36/07/1006473607.db2.gz PTUMUMHNXQRNHF-UHFFFAOYSA-N -2 0 421.496 3.919 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)sc1C(=O)[O-] ZINC000515630296 1006567515 /nfs/dbraw/zinc/56/75/15/1006567515.db2.gz XIVBWVPXWAVSGT-UHFFFAOYSA-N -2 0 408.432 3.882 20 0 HHADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000516098751 1006882243 /nfs/dbraw/zinc/88/22/43/1006882243.db2.gz YHMOJLVPHUQACE-UHFFFAOYSA-N -2 0 405.472 3.695 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)cc(C(=O)[O-])c1C ZINC000534901916 1006933404 /nfs/dbraw/zinc/93/34/04/1006933404.db2.gz UXDXCXVMOYHIEZ-UHFFFAOYSA-N -2 0 401.435 3.593 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)cc1O ZINC000534996944 1007057658 /nfs/dbraw/zinc/05/76/58/1007057658.db2.gz OABULKMJXXMINO-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000532848959 1007236096 /nfs/dbraw/zinc/23/60/96/1007236096.db2.gz JYDZUYXCHPYTDL-UHFFFAOYSA-N -2 0 407.341 3.742 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(OC[C@H]2CCCO2)c1 ZINC000517724807 1007931862 /nfs/dbraw/zinc/93/18/62/1007931862.db2.gz QANOSZRMFPZNEG-QGZVFWFLSA-N -2 0 419.499 3.669 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)c1 ZINC000518075035 1008145495 /nfs/dbraw/zinc/14/54/95/1008145495.db2.gz JGPFWGKTACPLSM-GFCCVEGCSA-N -2 0 406.485 3.542 20 0 HHADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000540216967 1008339636 /nfs/dbraw/zinc/33/96/36/1008339636.db2.gz FZKPGFCQBGTTLE-UHFFFAOYSA-N -2 0 420.487 3.665 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1-c1ccccc1 ZINC000543022966 1008604548 /nfs/dbraw/zinc/60/45/48/1008604548.db2.gz QMUPJWCQECSDPK-UHFFFAOYSA-N -2 0 419.890 3.977 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)c(Cl)cc1C(=O)[O-] ZINC000543952815 1009553557 /nfs/dbraw/zinc/55/35/57/1009553557.db2.gz WPEOJRVMLKGZRM-UHFFFAOYSA-N -2 0 418.254 3.704 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(C(F)(F)F)c1 ZINC000520627253 1009704248 /nfs/dbraw/zinc/70/42/48/1009704248.db2.gz HIHYKPIVECQKGB-UHFFFAOYSA-N -2 0 409.407 3.973 20 0 HHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000544646652 1010271317 /nfs/dbraw/zinc/27/13/17/1010271317.db2.gz NUPDKRFVXZQJKA-CYBMUJFWSA-N -2 0 405.472 3.572 20 0 HHADRL COc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1Cl ZINC000544647207 1010272177 /nfs/dbraw/zinc/27/21/77/1010272177.db2.gz KHUAIQIBRCFXHL-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)sc1Br ZINC000547556038 1010347969 /nfs/dbraw/zinc/34/79/69/1010347969.db2.gz XMPYIZRHHFWHQO-UHFFFAOYSA-N -2 0 404.307 3.935 20 0 HHADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-] ZINC000547567759 1010351481 /nfs/dbraw/zinc/35/14/81/1010351481.db2.gz GDGCHROJAPXQBU-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000547865889 1010457141 /nfs/dbraw/zinc/45/71/41/1010457141.db2.gz BZMXIJOVCRGLLU-UHFFFAOYSA-N -2 0 411.549 3.757 20 0 HHADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1c(Cl)cccc1Cl ZINC000548260198 1010573487 /nfs/dbraw/zinc/57/34/87/1010573487.db2.gz RQLURZIZDQMIKS-LBPRGKRZSA-N -2 0 414.188 3.515 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1C(F)(F)F ZINC000536414768 1011628558 /nfs/dbraw/zinc/62/85/58/1011628558.db2.gz RIAMTXCUOFYGDW-UHFFFAOYSA-N -2 0 414.283 3.618 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cnn1-c1ccccc1 ZINC000541165757 1011834479 /nfs/dbraw/zinc/83/44/79/1011834479.db2.gz XAKRCZURCBUGAC-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2OC(C)C)cc1CC(=O)[O-] ZINC000536993711 1012294906 /nfs/dbraw/zinc/29/49/06/1012294906.db2.gz GQWXJLAEEGHCAO-UHFFFAOYSA-N -2 0 413.879 3.564 20 0 HHADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000523873702 1012570584 /nfs/dbraw/zinc/57/05/84/1012570584.db2.gz WNGAGBCVPOWXIS-UHFFFAOYSA-N -2 0 411.451 3.577 20 0 HHADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)c2C)o1 ZINC000542010887 1012894340 /nfs/dbraw/zinc/89/43/40/1012894340.db2.gz FYOQQNGXIAYDCC-UHFFFAOYSA-N -2 0 417.487 3.640 20 0 HHADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cc4ccccc4s3)[nH]n2)c1 ZINC000564137597 1072140080 /nfs/dbraw/zinc/14/00/80/1072140080.db2.gz OQQRRVVAXICLOX-UHFFFAOYSA-N -2 0 413.480 3.719 20 0 HHADRL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(C(=O)[O-])c1 ZINC000589939490 1073422859 /nfs/dbraw/zinc/42/28/59/1073422859.db2.gz KKSXNHSNNQZZJX-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1ccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3[O-])n2)o1 ZINC000574751588 1075315042 /nfs/dbraw/zinc/31/50/42/1075315042.db2.gz FOTXUXOZIBZVLM-UHFFFAOYSA-N -2 0 403.441 3.873 20 0 HHADRL O=C([O-])c1csc(Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)n1 ZINC000542236857 1013195076 /nfs/dbraw/zinc/19/50/76/1013195076.db2.gz GKSURBVSGMSRRF-UHFFFAOYSA-N -2 0 410.423 3.511 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(C)C)c(Cl)c1 ZINC000030532143 965720952 /nfs/dbraw/zinc/72/09/52/965720952.db2.gz APYOTWRTZCGQJM-UHFFFAOYSA-N -2 0 413.879 3.882 20 0 HHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1)C(=O)[O-] ZINC000542722332 1013633912 /nfs/dbraw/zinc/63/39/12/1013633912.db2.gz CIHUROGIKPPXLD-SECBINFHSA-N -2 0 404.307 3.575 20 0 HHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000063180877 966768639 /nfs/dbraw/zinc/76/86/39/966768639.db2.gz TXTIKPYLNRBDQB-UHFFFAOYSA-N -2 0 419.377 3.612 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(ccn2CC(C)C)c1 ZINC000063476076 966871357 /nfs/dbraw/zinc/87/13/57/966871357.db2.gz XDBAUQZCXQMUKL-UHFFFAOYSA-N -2 0 402.472 3.805 20 0 HHADRL CSc1nc2ccc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc2s1 ZINC000045774454 967550151 /nfs/dbraw/zinc/55/01/51/967550151.db2.gz LHGPEMFVDPSKCF-UHFFFAOYSA-N -2 0 400.528 3.887 20 0 HHADRL Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n1 ZINC000109417619 969516005 /nfs/dbraw/zinc/51/60/05/969516005.db2.gz YLFODDWNSLEKQG-UHFFFAOYSA-N -2 0 423.853 3.781 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)sc1Cl ZINC000231807761 970139345 /nfs/dbraw/zinc/13/93/45/970139345.db2.gz NTLSMMWAIAPHJZ-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL Cc1cc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)ccc1C(=O)[O-] ZINC000237831027 970376811 /nfs/dbraw/zinc/37/68/11/970376811.db2.gz DZYICXHHJODKKY-UHFFFAOYSA-N -2 0 401.216 3.550 20 0 HHADRL O=C([O-])CCc1ccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1 ZINC000238052394 970427733 /nfs/dbraw/zinc/42/77/33/970427733.db2.gz AVZDEZCFKFXCSY-UHFFFAOYSA-N -2 0 415.243 3.560 20 0 HHADRL Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000320934185 972685358 /nfs/dbraw/zinc/68/53/58/972685358.db2.gz JANHCNFKKYROPI-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000391094113 972836859 /nfs/dbraw/zinc/83/68/59/972836859.db2.gz QXYUYVVPCHMUNB-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2cc(Br)cnc21 ZINC000392821780 972857454 /nfs/dbraw/zinc/85/74/54/972857454.db2.gz UQHQFPYJNWZKRC-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2sccc2Br)cccc1C(=O)[O-] ZINC000410402104 974001594 /nfs/dbraw/zinc/00/15/94/974001594.db2.gz OUNLYOKTDMOSHZ-UHFFFAOYSA-N -2 0 420.306 3.797 20 0 HHADRL CC(C)c1cnc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2)o1 ZINC000433504898 979342841 /nfs/dbraw/zinc/34/28/41/979342841.db2.gz BKMHWFPUFPZFPS-UHFFFAOYSA-N -2 0 402.428 3.670 20 0 HHADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000434631101 980308295 /nfs/dbraw/zinc/30/82/95/980308295.db2.gz WBSLYVXJSPCSCO-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL C[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)C[C@@H](C)C1 ZINC000436508074 981408568 /nfs/dbraw/zinc/40/85/68/981408568.db2.gz BUMQOIDNLPMRLP-KGLIPLIRSA-N -2 0 408.545 3.763 20 0 HHADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC000436604045 981469844 /nfs/dbraw/zinc/46/98/44/981469844.db2.gz IGQIPSRHFJKFNE-UHFFFAOYSA-N -2 0 412.305 3.732 20 0 HHADRL Cc1ccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3[O-])n2)cn1 ZINC000436901432 981607752 /nfs/dbraw/zinc/60/77/52/981607752.db2.gz MNZJIVSTDWISSE-UHFFFAOYSA-N -2 0 414.468 3.675 20 0 HHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)c1 ZINC000436997669 981676034 /nfs/dbraw/zinc/67/60/34/981676034.db2.gz XBFGCCCFKVXLSR-UHFFFAOYSA-N -2 0 413.451 3.608 20 0 HHADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(F)cc3OC(F)F)c1)CCCC2 ZINC000460826820 982578165 /nfs/dbraw/zinc/57/81/65/982578165.db2.gz DMYOMPDZGDCTHF-UHFFFAOYSA-N -2 0 415.389 3.805 20 0 HHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000460830748 982580731 /nfs/dbraw/zinc/58/07/31/982580731.db2.gz SJUULMJFJPSOMG-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)c(F)c1 ZINC000438774720 983062850 /nfs/dbraw/zinc/06/28/50/983062850.db2.gz FPMACZUBKSBERL-UHFFFAOYSA-N -2 0 409.382 3.821 20 0 HHADRL CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000438790965 983072573 /nfs/dbraw/zinc/07/25/73/983072573.db2.gz BBVPMVDCCDIBQN-UHFFFAOYSA-N -2 0 422.478 3.587 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000462104170 985074882 /nfs/dbraw/zinc/07/48/82/985074882.db2.gz QZIXFFPTFLTHBY-UHFFFAOYSA-N -2 0 407.341 3.742 20 0 HHADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000462105089 985075546 /nfs/dbraw/zinc/07/55/46/985075546.db2.gz SVUQLFNKXISTGR-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000462107186 985077883 /nfs/dbraw/zinc/07/78/83/985077883.db2.gz YCOVRAQNMPKWCN-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL COc1cc(C)c(Br)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000462373025 985357552 /nfs/dbraw/zinc/35/75/52/985357552.db2.gz MQRJMYXNNIJCNN-UHFFFAOYSA-N -2 0 420.306 3.635 20 0 HHADRL COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000468348015 986044552 /nfs/dbraw/zinc/04/45/52/986044552.db2.gz AQDDTEGIJOJJNM-GFCCVEGCSA-N -2 0 413.879 3.561 20 0 HHADRL CCc1cccc(Oc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)cn2)c1 ZINC000468396563 986096377 /nfs/dbraw/zinc/09/63/77/986096377.db2.gz WWNXWJMHJLCLOX-UHFFFAOYSA-N -2 0 417.425 3.746 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cc(C(=O)[O-])c1C ZINC000471123228 989228936 /nfs/dbraw/zinc/22/89/36/989228936.db2.gz QSOVLWUPPGULOL-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000471123948 989229742 /nfs/dbraw/zinc/22/97/42/989229742.db2.gz VAQPSZWZDXRUFA-UHFFFAOYSA-N -2 0 407.419 3.707 20 0 HHADRL Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000471579994 989783029 /nfs/dbraw/zinc/78/30/29/989783029.db2.gz DHLQNNQAYDLFOU-MRXNPFEDSA-N -2 0 413.499 3.619 20 0 HHADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000471971856 990137245 /nfs/dbraw/zinc/13/72/45/990137245.db2.gz CSQCVKIJEQIUJQ-UHFFFAOYSA-N -2 0 412.345 3.632 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000466286883 991535335 /nfs/dbraw/zinc/53/53/35/991535335.db2.gz HFJBZYVNQBIVST-UHFFFAOYSA-N -2 0 414.464 3.979 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1-c1ccccc1 ZINC000466470648 991761665 /nfs/dbraw/zinc/76/16/65/991761665.db2.gz AGQCHQLEQSBJOL-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCc2ccccc2C)c1 ZINC000467753378 992998675 /nfs/dbraw/zinc/99/86/75/992998675.db2.gz KKPGPARDYFXEIK-UHFFFAOYSA-N -2 0 401.440 3.974 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1C ZINC000467755019 993000097 /nfs/dbraw/zinc/00/00/97/993000097.db2.gz XTSOVDPLQKPAOH-UHFFFAOYSA-N -2 0 414.439 3.648 20 0 HHADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)cn2)cc1C ZINC000481971173 994862258 /nfs/dbraw/zinc/86/22/58/994862258.db2.gz GILQUVLSZMUPLW-UHFFFAOYSA-N -2 0 412.467 3.919 20 0 HHADRL Cc1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Br)ccc2[nH]1 ZINC000476249654 996706078 /nfs/dbraw/zinc/70/60/78/996706078.db2.gz GGXCLDWOTPCIPU-UHFFFAOYSA-N -2 0 409.261 3.738 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)sc1C(=O)[O-] ZINC000476418907 996883500 /nfs/dbraw/zinc/88/35/00/996883500.db2.gz PGLYKQYPMVTQFL-UHFFFAOYSA-N -2 0 423.447 3.622 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000484554493 996885652 /nfs/dbraw/zinc/88/56/52/996885652.db2.gz FTIMVHFOPGUIOI-UHFFFAOYSA-N -2 0 420.281 3.809 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2Br)ccc1Cl ZINC000484558289 996891549 /nfs/dbraw/zinc/89/15/49/996891549.db2.gz BOZVZSXARFKCKL-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc(Cl)c1Cl ZINC000485061951 997428644 /nfs/dbraw/zinc/42/86/44/997428644.db2.gz AXSORVITOKQCPT-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(Br)sc2Cl)cccc1C(=O)[O-] ZINC000485205479 997579763 /nfs/dbraw/zinc/57/97/63/997579763.db2.gz JKJVTQPYBLJVQX-UHFFFAOYSA-N -2 0 410.698 3.971 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c(Cl)cc1C(=O)[O-] ZINC000485250365 997638041 /nfs/dbraw/zinc/63/80/41/997638041.db2.gz DFLBILJSLBDLFO-UHFFFAOYSA-N -2 0 424.887 3.971 20 0 HHADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485392359 997820240 /nfs/dbraw/zinc/82/02/40/997820240.db2.gz ULSKRYQHDAVISQ-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000485403216 997833972 /nfs/dbraw/zinc/83/39/72/997833972.db2.gz JSIYIZUPJCWLSA-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL Cc1cc(Br)c(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000477340524 998029330 /nfs/dbraw/zinc/02/93/30/998029330.db2.gz UUUBWAFXEQBHJO-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1OCC(F)(F)F ZINC000477402993 998088228 /nfs/dbraw/zinc/08/82/28/998088228.db2.gz IAWPWYJGEOELJR-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])cc1F ZINC000477524623 998244413 /nfs/dbraw/zinc/24/44/13/998244413.db2.gz WMHTZJWEAFWGPQ-UHFFFAOYSA-N -2 0 420.231 3.843 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c(C)c1 ZINC000486079017 998525844 /nfs/dbraw/zinc/52/58/44/998525844.db2.gz LIRBOWNQMQDNHD-UHFFFAOYSA-N -2 0 419.377 3.791 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c(OC(F)(F)F)c1 ZINC000486087721 998534533 /nfs/dbraw/zinc/53/45/33/998534533.db2.gz GUTVMMLDEHKJOV-UHFFFAOYSA-N -2 0 418.374 3.694 20 0 HHADRL CC(C)c1c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000486087091 998534644 /nfs/dbraw/zinc/53/46/44/998534644.db2.gz ORPWATGCQKNJBT-UHFFFAOYSA-N -2 0 413.499 3.814 20 0 HHADRL CC(C)c1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1-c1ccccc1 ZINC000486107978 998555306 /nfs/dbraw/zinc/55/53/06/998555306.db2.gz GJFQVHGVTVRZIH-UHFFFAOYSA-N -2 0 403.435 3.634 20 0 HHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)s1 ZINC000486116777 998565007 /nfs/dbraw/zinc/56/50/07/998565007.db2.gz GESIKSCGOLOYCV-UHFFFAOYSA-N -2 0 419.322 3.666 20 0 HHADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000478680050 999085430 /nfs/dbraw/zinc/08/54/30/999085430.db2.gz GANHOJAWGBCJOX-VIFPVBQESA-N -2 0 403.382 3.508 20 0 HHADRL Cc1c(Cl)cc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000479251463 999347162 /nfs/dbraw/zinc/34/71/62/999347162.db2.gz ARAFXOIRDAAYSJ-JTQLQIEISA-N -2 0 411.863 3.726 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(OC(F)(F)F)c1 ZINC000488278649 999421551 /nfs/dbraw/zinc/42/15/51/999421551.db2.gz JNELTNCOTZOHOI-UHFFFAOYSA-N -2 0 412.345 3.632 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Br ZINC000488354328 999454225 /nfs/dbraw/zinc/45/42/25/999454225.db2.gz JAENWHVAHGGBCI-UHFFFAOYSA-N -2 0 420.306 3.717 20 0 HHADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(Cc2nc(C(=O)[O-])cs2)cc1 ZINC000479560235 999477685 /nfs/dbraw/zinc/47/76/85/999477685.db2.gz UZFQJMWCKQSADK-UHFFFAOYSA-N -2 0 406.460 3.680 20 0 HHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1)C(=O)[O-] ZINC000479572708 999484815 /nfs/dbraw/zinc/48/48/15/999484815.db2.gz GKWXAVAWPHUOON-SNVBAGLBSA-N -2 0 416.268 3.652 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)cc1C(=O)[O-] ZINC000479577961 999487170 /nfs/dbraw/zinc/48/71/70/999487170.db2.gz LPIWQOJAPKHFQA-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2OC)cc1C(=O)[O-] ZINC000480206874 999745218 /nfs/dbraw/zinc/74/52/18/999745218.db2.gz BPHNQTAOJSOAQQ-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccccc1Cl ZINC000480238112 999753269 /nfs/dbraw/zinc/75/32/69/999753269.db2.gz ACAPVOXWZYYBFQ-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1C ZINC000480242386 999754776 /nfs/dbraw/zinc/75/47/76/999754776.db2.gz BPGPBCPQKDYQTL-SECBINFHSA-N -2 0 405.398 3.680 20 0 HHADRL Cc1ccc(-n2ncc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)c2C(C)C)cc1 ZINC000480244480 999754922 /nfs/dbraw/zinc/75/49/22/999754922.db2.gz HFZYBDDLQMFOPH-UHFFFAOYSA-N -2 0 415.471 3.509 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000480243863 999754970 /nfs/dbraw/zinc/75/49/70/999754970.db2.gz FRWFLSHKPCTCLP-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]2)cc1F ZINC000489778260 999836471 /nfs/dbraw/zinc/83/64/71/999836471.db2.gz XMYCRLPQQYHLHW-UHFFFAOYSA-N -2 0 411.414 3.868 20 0 HHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c1 ZINC000504702643 1000332608 /nfs/dbraw/zinc/33/26/08/1000332608.db2.gz ICXXJZBDOFAYCL-SNVBAGLBSA-N -2 0 401.893 3.715 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC(F)(F)F ZINC000505273439 1000661788 /nfs/dbraw/zinc/66/17/88/1000661788.db2.gz KBVCIQCQRPZHPF-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)(F)F)c1 ZINC000505287462 1000673369 /nfs/dbraw/zinc/67/33/69/1000673369.db2.gz LOUFKSAABFUTEZ-UHFFFAOYSA-N -2 0 415.798 3.842 20 0 HHADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000496845183 1001236549 /nfs/dbraw/zinc/23/65/49/1001236549.db2.gz HJBSBJCMFMHHFN-UHFFFAOYSA-N -2 0 415.664 3.899 20 0 HHADRL CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506647058 1001481933 /nfs/dbraw/zinc/48/19/33/1001481933.db2.gz SXGGZYZQRIHIQU-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000507013806 1001764435 /nfs/dbraw/zinc/76/44/35/1001764435.db2.gz RGZDMERXHHQQTF-UHFFFAOYSA-N -2 0 414.483 3.896 20 0 HHADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000507893302 1002426442 /nfs/dbraw/zinc/42/64/42/1002426442.db2.gz XRPLYZFQIOIRFJ-UHFFFAOYSA-N -2 0 420.487 3.665 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1ccc(F)cc1 ZINC000507903856 1002438627 /nfs/dbraw/zinc/43/86/27/1002438627.db2.gz HXTNJKGEEIQJNX-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507965713 1002497312 /nfs/dbraw/zinc/49/73/12/1002497312.db2.gz NWHONWFSQINNNI-GFCCVEGCSA-N -2 0 413.879 3.561 20 0 HHADRL COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507965716 1002497776 /nfs/dbraw/zinc/49/77/76/1002497776.db2.gz NWHONWFSQINNNI-LBPRGKRZSA-N -2 0 413.879 3.561 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1cccc(Cl)c1 ZINC000507985522 1002514804 /nfs/dbraw/zinc/51/48/04/1002514804.db2.gz PEZKZKIFSFMEOE-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000500352885 1003651373 /nfs/dbraw/zinc/65/13/73/1003651373.db2.gz WWASFOYDCWTKTJ-UHFFFAOYSA-N -2 0 413.879 3.701 20 0 HHADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c(Cl)c1 ZINC000509565536 1003948531 /nfs/dbraw/zinc/94/85/31/1003948531.db2.gz ACCDVBIAUDURGC-UHFFFAOYSA-N -2 0 411.863 3.749 20 0 HHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000509603416 1003973282 /nfs/dbraw/zinc/97/32/82/1003973282.db2.gz QZJIGDMWTZORAM-UHFFFAOYSA-N -2 0 402.403 3.820 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)c2n[nH]cc21 ZINC000509613672 1003981556 /nfs/dbraw/zinc/98/15/56/1003981556.db2.gz NWKAXWZDKYZMNV-UHFFFAOYSA-N -2 0 423.878 3.569 20 0 HHADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1F ZINC000509631393 1003993355 /nfs/dbraw/zinc/99/33/55/1003993355.db2.gz FHEXEESYBYNHAK-UHFFFAOYSA-N -2 0 417.414 3.882 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(Br)c2C)c1 ZINC000512739710 1004530334 /nfs/dbraw/zinc/53/03/34/1004530334.db2.gz VSZUDVAHNHCCTC-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)sc1C(=O)[O-] ZINC000514137362 1005284380 /nfs/dbraw/zinc/28/43/80/1005284380.db2.gz XOSXYCDAFNTWGE-UHFFFAOYSA-N -2 0 419.509 3.932 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)nc2)cc1C(=O)[O-] ZINC000504236593 1005579572 /nfs/dbraw/zinc/57/95/72/1005579572.db2.gz TURBBBPQNGROKK-UHFFFAOYSA-N -2 0 421.862 3.848 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)cc1C(=O)[O-] ZINC000504292803 1005590892 /nfs/dbraw/zinc/59/08/92/1005590892.db2.gz DWEMBYZCFIAZNK-UHFFFAOYSA-N -2 0 406.489 3.516 20 0 HHADRL Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1F ZINC000515631966 1006568833 /nfs/dbraw/zinc/56/88/33/1006568833.db2.gz JENHWXGNNOXRBA-UHFFFAOYSA-N -2 0 424.431 3.540 20 0 HHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(Br)cc(C(=O)[O-])c3)c2n1 ZINC000534972309 1007029611 /nfs/dbraw/zinc/02/96/11/1007029611.db2.gz MNTLGIRWHVTCML-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000535401866 1007468782 /nfs/dbraw/zinc/46/87/82/1007468782.db2.gz ZREJJFNNXXRHLK-UHFFFAOYSA-N -2 0 404.307 3.719 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)cc1C(=O)[O-] ZINC000540213667 1008338670 /nfs/dbraw/zinc/33/86/70/1008338670.db2.gz MIIQFODHNYWTBQ-UHFFFAOYSA-N -2 0 403.378 3.585 20 0 HHADRL CO[C@H](C)c1nc(=NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)s[n-]1 ZINC000549373059 1008955982 /nfs/dbraw/zinc/95/59/82/1008955982.db2.gz ULQNEGZNEJXZLR-GFCCVEGCSA-N -2 0 422.466 3.554 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cn3ccsc3n2)cc1 ZINC000521527477 1010440150 /nfs/dbraw/zinc/44/01/50/1010440150.db2.gz XLQNKTBLKFTHSP-UHFFFAOYSA-N -2 0 419.509 3.932 20 0 HHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)cc1 ZINC000547933986 1010472598 /nfs/dbraw/zinc/47/25/98/1010472598.db2.gz XCKVLOHIVQGQBM-LLVKDONJSA-N -2 0 422.890 3.604 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000548150389 1010546096 /nfs/dbraw/zinc/54/60/96/1010546096.db2.gz UTVOPXJWDUPPRN-UHFFFAOYSA-N -2 0 402.241 3.650 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000548259497 1010573436 /nfs/dbraw/zinc/57/34/36/1010573436.db2.gz BEUKMQJORNOHTN-UHFFFAOYSA-N -2 0 409.851 3.503 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000548261075 1010574072 /nfs/dbraw/zinc/57/40/72/1010574072.db2.gz CJLKQUMDFWZFMR-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c32)cc1C(F)(F)F ZINC000548556117 1010664053 /nfs/dbraw/zinc/66/40/53/1010664053.db2.gz LGMGIUMTQQETFZ-UHFFFAOYSA-N -2 0 419.768 3.734 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1-c1ccccc1 ZINC000541164566 1011831326 /nfs/dbraw/zinc/83/13/26/1011831326.db2.gz JNNWOTXBNZFQFT-UHFFFAOYSA-N -2 0 405.501 3.694 20 0 HHADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000541306156 1012011814 /nfs/dbraw/zinc/01/18/14/1012011814.db2.gz HKOACUSOHAIPIJ-SNVBAGLBSA-N -2 0 411.863 3.726 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1Br ZINC000541931638 1012792746 /nfs/dbraw/zinc/79/27/46/1012792746.db2.gz COHGOZCQMZCMIZ-UHFFFAOYSA-N -2 0 412.305 3.966 20 0 HHADRL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000760427785 1072338994 /nfs/dbraw/zinc/33/89/94/1072338994.db2.gz XMOKJYIBHBZEJW-UHFFFAOYSA-N -2 0 410.282 3.726 20 0 HHADRL C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC000783863972 1072489996 /nfs/dbraw/zinc/48/99/96/1072489996.db2.gz QETBEAGPDHOBIQ-SECBINFHSA-N -2 0 415.826 3.556 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnn1-c1ccccc1F ZINC000479415917 1072814845 /nfs/dbraw/zinc/81/48/45/1072814845.db2.gz XPVHDRMHJAKWLD-UHFFFAOYSA-N -2 0 423.853 3.781 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000592987310 1075154441 /nfs/dbraw/zinc/15/44/41/1075154441.db2.gz YFTRTSQDSSMDHO-CYBMUJFWSA-N -2 0 420.512 3.850 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)cs1 ZINC000592986955 1075154816 /nfs/dbraw/zinc/15/48/16/1075154816.db2.gz PNGUVKDJEIYCBN-LBPRGKRZSA-N -2 0 406.485 3.542 20 0 HHADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl)OCCCO2 ZINC000010657356 961879094 /nfs/dbraw/zinc/87/90/94/961879094.db2.gz XDHSANOMODCNHL-UHFFFAOYSA-N -2 0 418.254 3.654 20 0 HHADRL O=C([N-]NC(=S)Nc1ccc(Cl)c(Cl)c1)c1nn(-c2ccccc2)cc1[O-] ZINC000016384371 963028485 /nfs/dbraw/zinc/02/84/85/963028485.db2.gz ZMKXOXVAMPHCFL-UHFFFAOYSA-N -2 0 422.297 3.516 20 0 HHADRL C[C@](CC(=O)N[N-]C(=O)c1sc2ccccc2c1Cl)(C(=O)[O-])c1ccccc1 ZINC000054500456 965544254 /nfs/dbraw/zinc/54/42/54/965544254.db2.gz GLKVHFMLKJILCO-HXUWFJFHSA-N -2 0 416.886 3.748 20 0 HHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000055566944 965923600 /nfs/dbraw/zinc/92/36/00/965923600.db2.gz RXIVPTRBTXREIN-UHFFFAOYSA-N -2 0 416.499 3.545 20 0 HHADRL CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000542739967 1013652705 /nfs/dbraw/zinc/65/27/05/1013652705.db2.gz NPHGJUXPACMDFL-UHFFFAOYSA-N -2 0 407.488 3.899 20 0 HHADRL O=C([O-])c1ccc(Oc2ccccc2)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000110690187 969707241 /nfs/dbraw/zinc/70/72/41/969707241.db2.gz SIZUYJRIRXONEU-UHFFFAOYSA-N -2 0 409.423 3.854 20 0 HHADRL O=C([O-])c1ccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1Cl ZINC000238186132 970456848 /nfs/dbraw/zinc/45/68/48/970456848.db2.gz RUXGRDJMQLATMF-UHFFFAOYSA-N -2 0 421.634 3.895 20 0 HHADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320431466 972682425 /nfs/dbraw/zinc/68/24/25/972682425.db2.gz YYSUWZSVYJJZHV-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000324399923 972722063 /nfs/dbraw/zinc/72/20/63/972722063.db2.gz SEEOMBOTYDZYAG-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3cccnc32)c1Br ZINC000327894201 972763776 /nfs/dbraw/zinc/76/37/76/972763776.db2.gz QRKMCLHCSPRBHW-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410381077 973978894 /nfs/dbraw/zinc/97/88/94/973978894.db2.gz WESYCDBXGYSRBM-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000429224769 976517719 /nfs/dbraw/zinc/51/77/19/976517719.db2.gz BVWYEXLLHOBOIP-UHFFFAOYSA-N -2 0 406.364 3.837 20 0 HHADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000430976875 977923472 /nfs/dbraw/zinc/92/34/72/977923472.db2.gz UNJWNQGMIIHIBR-UHFFFAOYSA-N -2 0 405.472 3.695 20 0 HHADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000430987657 977933232 /nfs/dbraw/zinc/93/32/32/977933232.db2.gz HDDMKLPJUZLEOJ-UHFFFAOYSA-N -2 0 420.306 3.635 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC000432050545 978661356 /nfs/dbraw/zinc/66/13/56/978661356.db2.gz ALCNUPWDXJONLC-UHFFFAOYSA-N -2 0 413.499 3.941 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000432061028 978664653 /nfs/dbraw/zinc/66/46/53/978664653.db2.gz HKNCDGVITJYUGE-UHFFFAOYSA-N -2 0 404.410 3.847 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cc4ccccc4s3)[nH]n2)cc1F ZINC000432482968 978839679 /nfs/dbraw/zinc/83/96/79/978839679.db2.gz KXXXSMQRNSWQJI-UHFFFAOYSA-N -2 0 417.443 3.930 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)c(Cl)cc1C(=O)[O-] ZINC000433807479 979589948 /nfs/dbraw/zinc/58/99/48/979589948.db2.gz HNBAMAWRYKSTEI-UHFFFAOYSA-N -2 0 413.879 3.851 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000436479958 981394423 /nfs/dbraw/zinc/39/44/23/981394423.db2.gz YASPTISDHXYMJW-UHFFFAOYSA-N -2 0 404.419 3.660 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000436688941 981514040 /nfs/dbraw/zinc/51/40/40/981514040.db2.gz MLKVQCMMWNLVRY-UHFFFAOYSA-N -2 0 415.471 3.509 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC000436787382 981561302 /nfs/dbraw/zinc/56/13/02/981561302.db2.gz VVXCKNFETFUPGA-UHFFFAOYSA-N -2 0 404.444 3.638 20 0 HHADRL O=S(=O)([N-]c1ccc(-c2nc(Cc3ccccc3)no2)c([O-])c1)c1cccs1 ZINC000436896851 981605107 /nfs/dbraw/zinc/60/51/07/981605107.db2.gz ONADFDPROIPACP-UHFFFAOYSA-N -2 0 413.480 3.895 20 0 HHADRL Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)s1 ZINC000437664827 982280854 /nfs/dbraw/zinc/28/08/54/982280854.db2.gz FGLPKNZDLIFZFU-UHFFFAOYSA-N -2 0 402.497 3.937 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccc(C)s2)cc1CC(=O)[O-] ZINC000437675097 982289622 /nfs/dbraw/zinc/28/96/22/982289622.db2.gz OHRZUFIWYFNSPU-UHFFFAOYSA-N -2 0 418.496 3.555 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461335478 983024901 /nfs/dbraw/zinc/02/49/01/983024901.db2.gz WXFFATBKYBLXHQ-UHFFFAOYSA-N -2 0 413.370 3.804 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000440816874 983919370 /nfs/dbraw/zinc/91/93/70/983919370.db2.gz NSNLNYFDYCAYGZ-MRXNPFEDSA-N -2 0 419.499 3.614 20 0 HHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1 ZINC000462100146 985071018 /nfs/dbraw/zinc/07/10/18/985071018.db2.gz GNVIEMAGBFHRTE-UHFFFAOYSA-N -2 0 420.418 3.687 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2c(OC)ccc(Br)c2C(=O)[O-])s1 ZINC000462100546 985071403 /nfs/dbraw/zinc/07/14/03/985071403.db2.gz HRENLUCIDQZEPM-UHFFFAOYSA-N -2 0 420.306 3.581 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)c(Cl)cc1C(=O)[O-] ZINC000443533099 985704089 /nfs/dbraw/zinc/70/40/89/985704089.db2.gz UJKWAVJTVGYXPM-UHFFFAOYSA-N -2 0 413.879 3.851 20 0 HHADRL Cc1cc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468538340 986244502 /nfs/dbraw/zinc/24/45/02/986244502.db2.gz VUAWZLPREDKELO-UHFFFAOYSA-N -2 0 403.398 3.529 20 0 HHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000468838237 986549072 /nfs/dbraw/zinc/54/90/72/986549072.db2.gz FGDUZBPSLNLNNN-UHFFFAOYSA-N -2 0 420.270 3.900 20 0 HHADRL Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000469670610 987327772 /nfs/dbraw/zinc/32/77/72/987327772.db2.gz FGUYJIOEVYUEKR-UHFFFAOYSA-N -2 0 418.457 3.614 20 0 HHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1OC ZINC000467319831 992641705 /nfs/dbraw/zinc/64/17/05/992641705.db2.gz OGNIUTXQMICNDA-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COCc2ccccc2)cc1 ZINC000467747893 992995527 /nfs/dbraw/zinc/99/55/27/992995527.db2.gz VXWHFUKXKYGEEH-UHFFFAOYSA-N -2 0 401.440 3.804 20 0 HHADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1 ZINC000481430474 994265912 /nfs/dbraw/zinc/26/59/12/994265912.db2.gz BLCBPJSYUIHAPW-UHFFFAOYSA-N -2 0 418.254 3.510 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000473445688 994293922 /nfs/dbraw/zinc/29/39/22/994293922.db2.gz ZQYAEAHACBNZHA-UHFFFAOYSA-N -2 0 416.242 3.580 20 0 HHADRL CC(C)(C)OC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000475839000 996407046 /nfs/dbraw/zinc/40/70/46/996407046.db2.gz RIEBHXATDOHTHD-UHFFFAOYSA-N -2 0 423.462 3.599 20 0 HHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000476250899 996706684 /nfs/dbraw/zinc/70/66/84/996706684.db2.gz GGZZDDPEZMUIHF-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1C ZINC000476272636 996722552 /nfs/dbraw/zinc/72/25/52/996722552.db2.gz KVRIVKHUUFSVKN-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)ccc2Br)c(C(=O)[O-])c1 ZINC000484556772 996889249 /nfs/dbraw/zinc/88/92/49/996889249.db2.gz SWSNCSMSNKZNEV-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000484800250 997151497 /nfs/dbraw/zinc/15/14/97/997151497.db2.gz VCMBZHVCGSAZPL-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])c1Br ZINC000484806046 997159237 /nfs/dbraw/zinc/15/92/37/997159237.db2.gz BSQVDFBUVXHODR-UHFFFAOYSA-N -2 0 409.261 3.738 20 0 HHADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])cc1Cl ZINC000484825523 997188551 /nfs/dbraw/zinc/18/85/51/997188551.db2.gz YFFGBRRYACCJBY-UHFFFAOYSA-N -2 0 418.254 3.587 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1C(F)(F)F ZINC000484932318 997307767 /nfs/dbraw/zinc/30/77/67/997307767.db2.gz DZJNQQZPKMPEBI-UHFFFAOYSA-N -2 0 424.194 3.967 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000484972179 997341868 /nfs/dbraw/zinc/34/18/68/997341868.db2.gz CHGFBNRNFCVKTR-UHFFFAOYSA-N -2 0 401.387 3.576 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c(Cl)cc1C(=O)[O-] ZINC000485268600 997663141 /nfs/dbraw/zinc/66/31/41/997663141.db2.gz RMLQYOVYMVKGEO-UHFFFAOYSA-N -2 0 421.805 3.757 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)ccc1C(=O)[O-] ZINC000485391366 997818503 /nfs/dbraw/zinc/81/85/03/997818503.db2.gz VBFMIBVJCZTBOD-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC000485396193 997825466 /nfs/dbraw/zinc/82/54/66/997825466.db2.gz KBWYXSIVTYETDF-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c(C(=O)[O-])cc1OC ZINC000485418652 997853366 /nfs/dbraw/zinc/85/33/66/997853366.db2.gz QFMBSJMJPIKBES-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486081387 998528435 /nfs/dbraw/zinc/52/84/35/998528435.db2.gz ULEZRFNITPIUNS-UHFFFAOYSA-N -2 0 419.377 3.871 20 0 HHADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1C ZINC000486085887 998532968 /nfs/dbraw/zinc/53/29/68/998532968.db2.gz JGGNSNXRDVBJID-VIFPVBQESA-N -2 0 421.397 3.560 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c(OC)c(C)c1OC ZINC000478679056 999084455 /nfs/dbraw/zinc/08/44/55/999084455.db2.gz QBXSNEGMDLOVFO-UHFFFAOYSA-N -2 0 423.487 3.643 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000479190113 999318039 /nfs/dbraw/zinc/31/80/39/999318039.db2.gz NHCMDPPYOKRKFS-UHFFFAOYSA-N -2 0 417.405 3.618 20 0 HHADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1C(C)C ZINC000480202687 999743976 /nfs/dbraw/zinc/74/39/76/999743976.db2.gz TWFMAYSXCXWWPC-UHFFFAOYSA-N -2 0 405.520 3.794 20 0 HHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1 ZINC000489316546 999744390 /nfs/dbraw/zinc/74/43/90/999744390.db2.gz VFQJTVSFMYMCSC-UHFFFAOYSA-N -2 0 421.368 3.887 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cnn1-c1ccccc1Cl ZINC000480230657 999751646 /nfs/dbraw/zinc/75/16/46/999751646.db2.gz XBKVSFDISGZLHW-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1-c1cccc(C)c1 ZINC000480234813 999752927 /nfs/dbraw/zinc/75/29/27/999752927.db2.gz WKFYATKJNSWWQA-UHFFFAOYSA-N -2 0 413.499 3.561 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cnn(C(CC)CC)c2CC)cc1C(=O)[O-] ZINC000480243867 999754999 /nfs/dbraw/zinc/75/49/99/999754999.db2.gz FTDRYKFZSGQDAX-UHFFFAOYSA-N -2 0 409.508 3.704 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c(Cl)c1 ZINC000489697435 999819581 /nfs/dbraw/zinc/81/95/81/999819581.db2.gz QSGHQLQYRDOIPZ-HNNXBMFYSA-N -2 0 421.862 3.567 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c(Cl)c1 ZINC000489717429 999823677 /nfs/dbraw/zinc/82/36/77/999823677.db2.gz CLXZHZRVOWJRNC-UHFFFAOYSA-N -2 0 409.847 3.881 20 0 HHADRL Cn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000491059297 1000040688 /nfs/dbraw/zinc/04/06/88/1000040688.db2.gz ZMHOKSNSELXJSM-UHFFFAOYSA-N -2 0 416.299 3.562 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cnn1CCC(C)C ZINC000491599317 1000088282 /nfs/dbraw/zinc/08/82/82/1000088282.db2.gz QDISJDSLTFLYEO-UHFFFAOYSA-N -2 0 421.563 3.845 20 0 HHADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)c1 ZINC000507001286 1001758021 /nfs/dbraw/zinc/75/80/21/1001758021.db2.gz JPBLPGLVQKIITE-UHFFFAOYSA-N -2 0 418.446 3.727 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1C(=O)Nc1ccccc1 ZINC000498419236 1001848156 /nfs/dbraw/zinc/84/81/56/1001848156.db2.gz BOPORCAFRCUDFN-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1)C(=O)[O-] ZINC000507579746 1002184160 /nfs/dbraw/zinc/18/41/60/1002184160.db2.gz ACVUPYGGVRVPHH-CYBMUJFWSA-N -2 0 415.496 3.510 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000507581083 1002186226 /nfs/dbraw/zinc/18/62/26/1002186226.db2.gz FPWHWCCHKHFURO-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507605148 1002211726 /nfs/dbraw/zinc/21/17/26/1002211726.db2.gz WIJOMDQFMLYCGG-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2)cn1 ZINC000509389485 1003818821 /nfs/dbraw/zinc/81/88/21/1003818821.db2.gz DIMQROOCHMVQIC-UHFFFAOYSA-N -2 0 404.469 3.626 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)c1 ZINC000512734527 1004525821 /nfs/dbraw/zinc/52/58/21/1004525821.db2.gz RWIYNDDNFDXFRE-UHFFFAOYSA-N -2 0 403.378 3.585 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)c(C)c1C(=O)[O-] ZINC000512757335 1004540270 /nfs/dbraw/zinc/54/02/70/1004540270.db2.gz IQBAJGJNFFWNMU-UHFFFAOYSA-N -2 0 418.496 3.838 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c1 ZINC000512757647 1004540757 /nfs/dbraw/zinc/54/07/57/1004540757.db2.gz OIVDHFBRYNDDDH-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)c1 ZINC000512785875 1004558633 /nfs/dbraw/zinc/55/86/33/1004558633.db2.gz QDLHXVSQDFNCIU-UHFFFAOYSA-N -2 0 417.418 3.524 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(OCC(F)(F)F)c1 ZINC000511112442 1005024100 /nfs/dbraw/zinc/02/41/00/1005024100.db2.gz ZYFHNHCGEPABHQ-UHFFFAOYSA-N -2 0 417.405 3.754 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1OC[C@H]1CCCO1 ZINC000511711307 1005287498 /nfs/dbraw/zinc/28/74/98/1005287498.db2.gz FPNGVLFZFDRWBH-QGZVFWFLSA-N -2 0 419.499 3.614 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C)c3C)nc2)cc1C(=O)[O-] ZINC000504231192 1005578472 /nfs/dbraw/zinc/57/84/72/1005578472.db2.gz ZYTNVNOWCWFVGT-UHFFFAOYSA-N -2 0 415.471 3.811 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C)n(-c3ccccc3Cl)n2)cc1C(=O)[O-] ZINC000538497409 1006765653 /nfs/dbraw/zinc/76/56/53/1006765653.db2.gz SGFUNIWYECWHCL-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL O=C([O-])c1ccccc1CCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000538575897 1006842242 /nfs/dbraw/zinc/84/22/42/1006842242.db2.gz RCACMZJUWBUIGY-UHFFFAOYSA-N -2 0 424.478 3.757 20 0 HHADRL Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)ccc1C(=O)[O-] ZINC000532595979 1007029765 /nfs/dbraw/zinc/02/97/65/1007029765.db2.gz BMHSPILRPSASJP-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000532846127 1007231552 /nfs/dbraw/zinc/23/15/52/1007231552.db2.gz SOOKNHZDBSYEOT-UHFFFAOYSA-N -2 0 419.377 3.612 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)cccc1C(=O)[O-] ZINC000516942260 1007348443 /nfs/dbraw/zinc/34/84/43/1007348443.db2.gz KDECWBJFSXYTJR-UHFFFAOYSA-N -2 0 409.423 3.697 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(Cl)c2O)cc1C(=O)[O-] ZINC000535615557 1007621195 /nfs/dbraw/zinc/62/11/95/1007621195.db2.gz CMIHGYBUQHCBOM-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL Cc1ccc(-n2[n-]c(C(=O)Nc3cc(Cl)cc(Br)c3[O-])cc2=O)cc1 ZINC000533967242 1008239190 /nfs/dbraw/zinc/23/91/90/1008239190.db2.gz ORUDMWSLKOESIJ-UHFFFAOYSA-N -2 0 422.666 3.848 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)nn1[C@@H](C)C1CC1 ZINC000543162923 1008737758 /nfs/dbraw/zinc/73/77/58/1008737758.db2.gz ZPFOCOUUQVEAIF-HNNXBMFYSA-N -2 0 405.520 3.516 20 0 HHADRL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000519838555 1009022955 /nfs/dbraw/zinc/02/29/55/1009022955.db2.gz CURLCOUYBJTVOZ-UHFFFAOYSA-N -2 0 410.395 3.664 20 0 HHADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000546628510 1009638363 /nfs/dbraw/zinc/63/83/63/1009638363.db2.gz UCEFJAPQLUBYRV-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000547549247 1010346704 /nfs/dbraw/zinc/34/67/04/1010346704.db2.gz XLGJUFMLGJMVCW-UHFFFAOYSA-N -2 0 420.231 3.843 20 0 HHADRL Cc1c(Br)cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1C(=O)[O-] ZINC000551117235 1010380711 /nfs/dbraw/zinc/38/07/11/1010380711.db2.gz WTSNQLVLQWYNBO-UHFFFAOYSA-N -2 0 424.194 3.674 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c2cccnc12 ZINC000548150172 1010545827 /nfs/dbraw/zinc/54/58/27/1010545827.db2.gz BZDRJROPOKEIMT-UHFFFAOYSA-N -2 0 414.411 3.705 20 0 HHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551471476 1010606970 /nfs/dbraw/zinc/60/69/70/1010606970.db2.gz GIVZPFIDIDZXIS-UHFFFAOYSA-N -2 0 412.197 3.779 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1C(=O)[O-] ZINC000548526760 1010656578 /nfs/dbraw/zinc/65/65/78/1010656578.db2.gz GWGJLDDVUKFDIC-UHFFFAOYSA-N -3 0 423.752 3.556 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)sc1C ZINC000545215526 1010687015 /nfs/dbraw/zinc/68/70/15/1010687015.db2.gz KJVPWTCCBDSHKZ-UHFFFAOYSA-N -2 0 422.553 3.967 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)c(C)c1OCC(=O)[O-] ZINC000523186989 1011671937 /nfs/dbraw/zinc/67/19/37/1011671937.db2.gz GWEUPBRPJURRLF-UHFFFAOYSA-N -2 0 419.499 3.889 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(=O)[O-])cs3)cc2)s1 ZINC000541303784 1012007275 /nfs/dbraw/zinc/00/72/75/1012007275.db2.gz IOBOGORVMVZJHY-UHFFFAOYSA-N -2 0 408.526 3.857 20 0 HHADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000541306154 1012012346 /nfs/dbraw/zinc/01/23/46/1012012346.db2.gz HKOACUSOHAIPIJ-JTQLQIEISA-N -2 0 411.863 3.726 20 0 HHADRL O=C([O-])c1csc(Cc2ccc([N-]S(=O)(=O)c3cc4ccccc4o3)cc2)n1 ZINC000541307066 1012013496 /nfs/dbraw/zinc/01/34/96/1012013496.db2.gz IIKRBHJKBJSUFO-UHFFFAOYSA-N -2 0 414.464 3.979 20 0 HHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000541929962 1012790786 /nfs/dbraw/zinc/79/07/86/1012790786.db2.gz AWRJYEJBPOHQQP-UHFFFAOYSA-N -2 0 416.268 3.796 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000614867248 1071860466 /nfs/dbraw/zinc/86/04/66/1071860466.db2.gz QUSSRHGEODUTQE-UHFFFAOYSA-N -2 0 420.443 3.639 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)ccc1-n1cccc1C(=O)[O-] ZINC000589149604 1073463198 /nfs/dbraw/zinc/46/31/98/1073463198.db2.gz QWXCSTBLSWCFJT-UHFFFAOYSA-N -2 0 410.373 3.702 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)ccc1-n1cccc1C(=O)[O-] ZINC000591796813 1074546181 /nfs/dbraw/zinc/54/61/81/1074546181.db2.gz FBJROYNQKBYJRS-UHFFFAOYSA-N -2 0 410.373 3.702 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)sc1C(=O)[O-] ZINC000592986977 1075154829 /nfs/dbraw/zinc/15/48/29/1075154829.db2.gz SKBUCPSMRRIDCS-ZDUSSCGKSA-N -2 0 420.512 3.850 20 0 HHADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000542235070 1013191595 /nfs/dbraw/zinc/19/15/95/1013191595.db2.gz AGRMUFSXDALJJQ-NSHDSACASA-N -2 0 411.863 3.506 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000003350972 960483528 /nfs/dbraw/zinc/48/35/28/960483528.db2.gz NSPLPWWKSGWKNH-UHFFFAOYSA-N -2 0 402.497 3.597 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC000013059772 962361854 /nfs/dbraw/zinc/36/18/54/962361854.db2.gz QLDIOBIHWRLMER-UHFFFAOYSA-N -2 0 410.289 3.827 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2)cc1C(=O)[O-] ZINC000013349573 962390245 /nfs/dbraw/zinc/39/02/45/962390245.db2.gz JUHYPYHPODSYNM-UHFFFAOYSA-N -2 0 410.451 3.746 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)c1 ZINC000026237122 964497120 /nfs/dbraw/zinc/49/71/20/964497120.db2.gz LTUWRAYRNUNLJS-UHFFFAOYSA-N -2 0 415.798 3.842 20 0 HHADRL CN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000055664625 966007389 /nfs/dbraw/zinc/00/73/89/966007389.db2.gz RESLTDIODXFNQE-UHFFFAOYSA-N -2 0 416.499 3.590 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Nc2nc(C)cs2)c1 ZINC000060059860 966054768 /nfs/dbraw/zinc/05/47/68/966054768.db2.gz IHSFIMISBPJOFU-UHFFFAOYSA-N -2 0 419.484 3.703 20 0 HHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000063181045 966769495 /nfs/dbraw/zinc/76/94/95/966769495.db2.gz JBABMDMYSNYFGH-UHFFFAOYSA-N -2 0 403.378 3.912 20 0 HHADRL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000097150736 969097436 /nfs/dbraw/zinc/09/74/36/969097436.db2.gz CZGBCHKANZSDDK-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)c(Cl)cc1F ZINC000109410105 969514741 /nfs/dbraw/zinc/51/47/41/969514741.db2.gz SAAHPKMNALDXKF-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1OCCCC(=O)[O-] ZINC000110276671 969646697 /nfs/dbraw/zinc/64/66/97/969646697.db2.gz GJQABUIKCAVAAZ-UHFFFAOYSA-N -2 0 415.414 3.641 20 0 HHADRL CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000314237276 972638164 /nfs/dbraw/zinc/63/81/64/972638164.db2.gz HQJVYRLAQJVYLD-UHFFFAOYSA-N -2 0 402.291 3.670 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000315039996 972642473 /nfs/dbraw/zinc/64/24/73/972642473.db2.gz AUGVVUXKWRLUAF-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000319020020 972667772 /nfs/dbraw/zinc/66/77/72/972667772.db2.gz QSVZUDMEHDXIJI-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000320192601 972677923 /nfs/dbraw/zinc/67/79/23/972677923.db2.gz QDLJMAGJSXWVBD-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)ccc1Cl ZINC000323124068 972708254 /nfs/dbraw/zinc/70/82/54/972708254.db2.gz UDDHFHLBHNSNER-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3Cl)ccc2o1 ZINC000326780357 972747986 /nfs/dbraw/zinc/74/79/86/972747986.db2.gz UEOBJYADHPOEKI-UHFFFAOYSA-N -2 0 401.227 3.942 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000326893277 972749359 /nfs/dbraw/zinc/74/93/59/972749359.db2.gz GKIQNOYQMIMHKK-UHFFFAOYSA-N -2 0 405.215 3.709 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccccc2OC(F)F)cccc1C(=O)[O-] ZINC000410400857 974000320 /nfs/dbraw/zinc/00/03/20/974000320.db2.gz JWTICJFBQWXVTH-UHFFFAOYSA-N -2 0 401.387 3.574 20 0 HHADRL Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000410412965 974011769 /nfs/dbraw/zinc/01/17/69/974011769.db2.gz GWEQTNYSOMUJCX-UHFFFAOYSA-N -2 0 405.863 3.548 20 0 HHADRL CC(C)Oc1cc(Br)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000425998103 974112620 /nfs/dbraw/zinc/11/26/20/974112620.db2.gz FWDRWTFSOOMAJM-UHFFFAOYSA-N -2 0 420.306 3.797 20 0 HHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3F)ccc12 ZINC000427196317 974970983 /nfs/dbraw/zinc/97/09/83/974970983.db2.gz FTKIQKKVIDOSEL-UHFFFAOYSA-N -2 0 418.324 3.705 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1)C(=O)[O-] ZINC000427343549 975066088 /nfs/dbraw/zinc/06/60/88/975066088.db2.gz CDQNZQMUIDOJSD-JTQLQIEISA-N -2 0 421.368 3.788 20 0 HHADRL CCCc1nc(=NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)s[n-]1 ZINC000430626338 977658975 /nfs/dbraw/zinc/65/89/75/977658975.db2.gz LQBWAIBMFBMCDD-UHFFFAOYSA-N -2 0 406.467 3.799 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)ccc1C(=O)[O-] ZINC000432782707 978973182 /nfs/dbraw/zinc/97/31/82/978973182.db2.gz VNSOUJHHFSKFJF-UHFFFAOYSA-N -2 0 420.668 3.610 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cnn1-c1ccccc1F ZINC000435147861 980679170 /nfs/dbraw/zinc/67/91/70/980679170.db2.gz ZUTWMQMPJCQSBV-UHFFFAOYSA-N -2 0 417.462 3.942 20 0 HHADRL C[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)C[C@@H](C)C1 ZINC000436508071 981408281 /nfs/dbraw/zinc/40/82/81/981408281.db2.gz BUMQOIDNLPMRLP-KBPBESRZSA-N -2 0 408.545 3.763 20 0 HHADRL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(Cl)cc(Br)c1[O-] ZINC000436641059 981489003 /nfs/dbraw/zinc/48/90/03/981489003.db2.gz LFHFHVQQILVLJU-UHFFFAOYSA-N -2 0 409.627 3.551 20 0 HHADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3O)cc2)cs1 ZINC000436786418 981560769 /nfs/dbraw/zinc/56/07/69/981560769.db2.gz RYXRWIQDWAUMNC-UHFFFAOYSA-N -2 0 404.469 3.632 20 0 HHADRL CN(Cc1ccccc1NC(=O)c1c([O-])cccc1F)C(=O)c1c([O-])cccc1F ZINC000436989996 981671897 /nfs/dbraw/zinc/67/18/97/981671897.db2.gz NVCUPXLOTIVVSG-UHFFFAOYSA-N -2 0 412.392 3.901 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1-c1ccc(C)s1 ZINC000437675183 982289587 /nfs/dbraw/zinc/28/95/87/982289587.db2.gz PTAUNOHKSJAINA-UHFFFAOYSA-N -2 0 418.496 3.555 20 0 HHADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000460827490 982578888 /nfs/dbraw/zinc/57/88/88/982578888.db2.gz BPWNFMSPBQZXBY-UHFFFAOYSA-N -2 0 403.435 3.634 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cccc1OCC(F)(F)F ZINC000438771413 983060676 /nfs/dbraw/zinc/06/06/76/983060676.db2.gz KTNIHTHMQITWLB-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)c(F)c1 ZINC000438803936 983080635 /nfs/dbraw/zinc/08/06/35/983080635.db2.gz HNLFUEOBUICEGB-UHFFFAOYSA-N -2 0 414.414 3.577 20 0 HHADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000463378956 986346297 /nfs/dbraw/zinc/34/62/97/986346297.db2.gz RUOQGYZUTZEWKF-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000469253909 986972658 /nfs/dbraw/zinc/97/26/58/986972658.db2.gz VRVPEVXEXKPQBM-UHFFFAOYSA-N -2 0 406.382 3.928 20 0 HHADRL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000470437371 988407940 /nfs/dbraw/zinc/40/79/40/988407940.db2.gz VJFSIMNAMSADFV-UHFFFAOYSA-N -2 0 423.830 3.665 20 0 HHADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000470458464 988442318 /nfs/dbraw/zinc/44/23/18/988442318.db2.gz LSADXOPZBVKIOA-UHFFFAOYSA-N -2 0 417.842 3.532 20 0 HHADRL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000464426910 988598736 /nfs/dbraw/zinc/59/87/36/988598736.db2.gz NZXRAQQLKMEXEH-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)cc(C(=O)[O-])c1C ZINC000471122399 989227862 /nfs/dbraw/zinc/22/78/62/989227862.db2.gz BBGYJYPAOGHEKZ-UHFFFAOYSA-N -2 0 421.368 3.883 20 0 HHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1OC(F)F ZINC000466328065 991581343 /nfs/dbraw/zinc/58/13/43/991581343.db2.gz QJXXCSMITYSTKS-UHFFFAOYSA-N -2 0 423.340 3.697 20 0 HHADRL COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000466474251 991766133 /nfs/dbraw/zinc/76/61/33/991766133.db2.gz ODIGITSREXAJIX-UHFFFAOYSA-N -2 0 409.435 3.543 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)c1 ZINC000473414316 994266438 /nfs/dbraw/zinc/26/64/38/994266438.db2.gz SXATULIVUBWBRI-UHFFFAOYSA-N -2 0 420.231 3.843 20 0 HHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000481945931 994825200 /nfs/dbraw/zinc/82/52/00/994825200.db2.gz JVLMLMHSXNTLIM-UHFFFAOYSA-N -2 0 407.451 3.658 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1csc(C)n1 ZINC000475835912 996403817 /nfs/dbraw/zinc/40/38/17/996403817.db2.gz RUIHKFBIMULHCN-UHFFFAOYSA-N -2 0 418.496 3.555 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(SCCC(=O)[O-])c1 ZINC000484495876 996820775 /nfs/dbraw/zinc/82/07/75/996820775.db2.gz GXQUSEPQJBLCNV-UHFFFAOYSA-N -2 0 408.526 3.972 20 0 HHADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000476415713 996878650 /nfs/dbraw/zinc/87/86/50/996878650.db2.gz PYLDZJKTKXTKCC-UHFFFAOYSA-N -2 0 411.863 3.510 20 0 HHADRL COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000476421094 996887514 /nfs/dbraw/zinc/88/75/14/996887514.db2.gz GJHZXOQPKVPHGT-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)ccc1Br ZINC000484923417 997297545 /nfs/dbraw/zinc/29/75/45/997297545.db2.gz UALNSWYXICCTEL-UHFFFAOYSA-N -2 0 422.203 3.550 20 0 HHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1F ZINC000484940736 997316890 /nfs/dbraw/zinc/31/68/90/997316890.db2.gz XNLPGEXIHLLLKO-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000484953508 997331247 /nfs/dbraw/zinc/33/12/47/997331247.db2.gz NOXZOJVPLZZNBQ-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000484961928 997338065 /nfs/dbraw/zinc/33/80/65/997338065.db2.gz GEFQEURNSRCZLW-UHFFFAOYSA-N -2 0 417.487 3.905 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000484979179 997344417 /nfs/dbraw/zinc/34/44/17/997344417.db2.gz UXSRXPOFCAQGSF-UHFFFAOYSA-N -2 0 414.277 3.735 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)ccc1C(=O)[O-] ZINC000485053597 997418350 /nfs/dbraw/zinc/41/83/50/997418350.db2.gz WPZNQVNACINIJC-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(-c2nc(C3CC3)no2)c1 ZINC000485258935 997651421 /nfs/dbraw/zinc/65/14/21/997651421.db2.gz YUZOIRIDPHELMD-UHFFFAOYSA-N -2 0 417.418 3.561 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c(Cl)cc1C(=O)[O-] ZINC000485266619 997660814 /nfs/dbraw/zinc/66/08/14/997660814.db2.gz OKCUBXVQQDSMAV-UHFFFAOYSA-N -2 0 408.819 3.503 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2OC)c(Cl)cc1C(=O)[O-] ZINC000485290322 997690431 /nfs/dbraw/zinc/69/04/31/997690431.db2.gz PKKCVCOJUKANAS-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477430190 998123879 /nfs/dbraw/zinc/12/38/79/998123879.db2.gz FTVLLFJSJCFWQB-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL Cc1cc(Br)c2ccccc2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000477432470 998126625 /nfs/dbraw/zinc/12/66/25/998126625.db2.gz VXBXHWSYQPQBOY-UHFFFAOYSA-N -2 0 423.288 3.748 20 0 HHADRL CCOc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477472215 998190425 /nfs/dbraw/zinc/19/04/25/998190425.db2.gz DVRKPYLZIOAXKK-UHFFFAOYSA-N -2 0 414.277 3.655 20 0 HHADRL Cn1ccc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3OC(F)(F)F)c21 ZINC000486092031 998539939 /nfs/dbraw/zinc/53/99/39/998539939.db2.gz HCNPGWNIYQEOOG-UHFFFAOYSA-N -2 0 414.361 3.576 20 0 HHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000486103021 998550022 /nfs/dbraw/zinc/55/00/22/998550022.db2.gz SYLSETPZTHLEFV-UHFFFAOYSA-N -2 0 415.471 3.503 20 0 HHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1C ZINC000486103080 998550038 /nfs/dbraw/zinc/55/00/38/998550038.db2.gz UDVBXBDSQXWAMD-SECBINFHSA-N -2 0 421.397 3.560 20 0 HHADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486105424 998553042 /nfs/dbraw/zinc/55/30/42/998553042.db2.gz YQUAPYCBEZLMSQ-UHFFFAOYSA-N -2 0 403.378 3.955 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000479273662 999358878 /nfs/dbraw/zinc/35/88/78/999358878.db2.gz FOJDDKLRQJAMMC-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000479334244 999390386 /nfs/dbraw/zinc/39/03/86/999390386.db2.gz LIGHIUBAVADFQM-UHFFFAOYSA-N -2 0 403.847 3.604 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(OC(F)(F)F)c1 ZINC000488289957 999425383 /nfs/dbraw/zinc/42/53/83/999425383.db2.gz GHQKDFSBTACWQQ-UHFFFAOYSA-N -2 0 401.771 3.799 20 0 HHADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479460625 999427519 /nfs/dbraw/zinc/42/75/19/999427519.db2.gz VAZGPXUVBYJDTO-UHFFFAOYSA-N -2 0 417.270 3.759 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c2cccnc12 ZINC000479551496 999473710 /nfs/dbraw/zinc/47/37/10/999473710.db2.gz FQPPJYFOYRMHHC-UHFFFAOYSA-N -2 0 408.382 3.644 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1C(F)(F)F ZINC000489306720 999742074 /nfs/dbraw/zinc/74/20/74/999742074.db2.gz VCAVZHCYEDXWOE-UHFFFAOYSA-N -2 0 414.283 3.618 20 0 HHADRL Cc1ccc(-n2ncc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)c2C(C)C)cc1 ZINC000480200942 999743296 /nfs/dbraw/zinc/74/32/96/999743296.db2.gz QOOUZPKZXIFZIH-UHFFFAOYSA-N -2 0 417.462 3.942 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000480230144 999751257 /nfs/dbraw/zinc/75/12/57/999751257.db2.gz USDNVULMUWHGIV-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000480253222 999756978 /nfs/dbraw/zinc/75/69/78/999756978.db2.gz VKSNLVBQZSCDBP-UHFFFAOYSA-N -2 0 403.460 3.705 20 0 HHADRL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1)C(C)C ZINC000489750878 999830908 /nfs/dbraw/zinc/83/09/08/999830908.db2.gz GBTOGONHTULUBV-UHFFFAOYSA-N -2 0 424.906 3.596 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)sc1C(=O)[O-] ZINC000497554460 1001433017 /nfs/dbraw/zinc/43/30/17/1001433017.db2.gz DGTZZCXKVUTHRE-UHFFFAOYSA-N -2 0 420.468 3.709 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)ccc1C(=O)[O-] ZINC000506690432 1001495170 /nfs/dbraw/zinc/49/51/70/1001495170.db2.gz RDBVBXAHNJXNMM-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(OCC(=O)[O-])c2)C1 ZINC000499170412 1002556957 /nfs/dbraw/zinc/55/69/57/1002556957.db2.gz QIRXQHSIUHVGTE-YBEGLDIGSA-N -2 0 418.449 3.773 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc(C(F)(F)F)c1 ZINC000499339980 1002741770 /nfs/dbraw/zinc/74/17/70/1002741770.db2.gz GJGWXYQQYAVPGE-UHFFFAOYSA-N -2 0 412.345 3.859 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)c1 ZINC000512726632 1004521115 /nfs/dbraw/zinc/52/11/15/1004521115.db2.gz ZLWKNKBVYYFHMN-UHFFFAOYSA-N -2 0 416.430 3.607 20 0 HHADRL Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000512728859 1004522873 /nfs/dbraw/zinc/52/28/73/1004522873.db2.gz IURSDMNOIUVTBL-UHFFFAOYSA-N -2 0 418.254 3.807 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)cs1 ZINC000501789960 1004732970 /nfs/dbraw/zinc/73/29/70/1004732970.db2.gz DKSZHHVXHVZARC-UHFFFAOYSA-N -2 0 408.482 3.561 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1n[nH]c(C(C)C)n1 ZINC000511134197 1005037905 /nfs/dbraw/zinc/03/79/05/1005037905.db2.gz HNAWLMUKRHYHKG-UHFFFAOYSA-N -2 0 414.487 3.657 20 0 HHADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)c1 ZINC000513813495 1005139558 /nfs/dbraw/zinc/13/95/58/1005139558.db2.gz FUGDTHPJJMBBTC-UHFFFAOYSA-N -2 0 401.444 3.755 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC[C@H]1CCCCO1 ZINC000511724021 1005293679 /nfs/dbraw/zinc/29/36/79/1005293679.db2.gz TVKMFMGSPMUAKB-QGZVFWFLSA-N -2 0 419.499 3.696 20 0 HHADRL CCn1cc(S(=O)(=O)[N-]c2cccc(OCc3cccc(F)c3)c2)cc1C(=O)[O-] ZINC000504229111 1005578041 /nfs/dbraw/zinc/57/80/41/1005578041.db2.gz DDMVZJVSXCRZAK-UHFFFAOYSA-N -2 0 418.446 3.725 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1C(F)(F)F ZINC000532844220 1007229741 /nfs/dbraw/zinc/22/97/41/1007229741.db2.gz CFWIGCUNGHHEAM-UHFFFAOYSA-N -2 0 423.752 3.556 20 0 HHADRL Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000532845663 1007230929 /nfs/dbraw/zinc/23/09/29/1007230929.db2.gz OBVFZHOSCSILTE-UHFFFAOYSA-N -2 0 417.361 3.519 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000543164215 1008739317 /nfs/dbraw/zinc/73/93/17/1008739317.db2.gz JXTMYWVBCPFRQT-UHFFFAOYSA-N -2 0 417.462 3.771 20 0 HHADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC2CCC2)c1 ZINC000519571021 1008915120 /nfs/dbraw/zinc/91/51/20/1008915120.db2.gz FBAHCBXFZGSNBU-UHFFFAOYSA-N -2 0 409.891 3.947 20 0 HHADRL CCc1oc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C(=O)[O-] ZINC000549550494 1009168037 /nfs/dbraw/zinc/16/80/37/1009168037.db2.gz HPDHJUYCDXWLBW-UHFFFAOYSA-N -2 0 414.439 3.593 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1-c1cccc(F)c1 ZINC000544096966 1009706471 /nfs/dbraw/zinc/70/64/71/1009706471.db2.gz UPPNAQWYWUTSIH-UHFFFAOYSA-N -2 0 421.425 3.602 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c(C)c1CC(=O)[O-] ZINC000544647079 1010272237 /nfs/dbraw/zinc/27/22/37/1010272237.db2.gz FFKJUEYXQRQXLF-UHFFFAOYSA-N -2 0 417.512 3.558 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c2ncccc12 ZINC000547435972 1010304812 /nfs/dbraw/zinc/30/48/12/1010304812.db2.gz FPTMOOOEIPJVEQ-UHFFFAOYSA-N -2 0 406.847 3.704 20 0 HHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000547547934 1010346793 /nfs/dbraw/zinc/34/67/93/1010346793.db2.gz AISAMTGMOJZAKS-UHFFFAOYSA-N -2 0 424.194 3.674 20 0 HHADRL Cc1c(Br)cc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000551114784 1010378901 /nfs/dbraw/zinc/37/89/01/1010378901.db2.gz FQHMERKSMUESKL-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC[C@@H]1CCCCO1 ZINC000521527312 1010440171 /nfs/dbraw/zinc/44/01/71/1010440171.db2.gz NUNFKNYTBSOFNS-ZDUSSCGKSA-N -2 0 411.501 3.503 20 0 HHADRL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000547871319 1010458084 /nfs/dbraw/zinc/45/80/84/1010458084.db2.gz SFJJIAGQVLUBCQ-UHFFFAOYSA-N -2 0 423.443 3.634 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000547937754 1010474504 /nfs/dbraw/zinc/47/45/04/1010474504.db2.gz OVTPLPFADSOMPB-UHFFFAOYSA-N -2 0 401.843 3.906 20 0 HHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000548205990 1010560727 /nfs/dbraw/zinc/56/07/27/1010560727.db2.gz RGBQRODZDMPRNH-UHFFFAOYSA-N -2 0 404.307 3.935 20 0 HHADRL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000548521445 1010656048 /nfs/dbraw/zinc/65/60/48/1010656048.db2.gz DNFHKKTYEYZDDC-UHFFFAOYSA-N -2 0 413.879 3.563 20 0 HHADRL COc1ccc(Br)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000548536288 1010658724 /nfs/dbraw/zinc/65/87/24/1010658724.db2.gz YNXRZUVIRQDFCS-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000548589961 1010674372 /nfs/dbraw/zinc/67/43/72/1010674372.db2.gz MGTDPFDUERLNJW-UHFFFAOYSA-N -2 0 408.234 3.781 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c(C)c1CC(=O)[O-] ZINC000541082832 1011723369 /nfs/dbraw/zinc/72/33/69/1011723369.db2.gz LWUSUJQSKNGXRN-UHFFFAOYSA-N -2 0 413.442 3.684 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000541302201 1012004948 /nfs/dbraw/zinc/00/49/48/1012004948.db2.gz KPYNHTBFOPTUHU-UHFFFAOYSA-N -2 0 422.459 3.843 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000541307318 1012013511 /nfs/dbraw/zinc/01/35/11/1012013511.db2.gz KLUMXWREBYKVAV-JTQLQIEISA-N -2 0 411.863 3.726 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(CN3CCc4ccccc43)cc2)c1 ZINC000588833241 1073317388 /nfs/dbraw/zinc/31/73/88/1073317388.db2.gz YDPGQDTZGABSCU-UHFFFAOYSA-N -2 0 414.508 3.810 20 0 HHADRL Cc1cc(C(=O)Nc2ccccc2N2CCc3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000303858414 972399524 /nfs/dbraw/zinc/39/95/24/972399524.db2.gz STWULMFNINRJCU-UHFFFAOYSA-N -2 0 413.437 3.691 20 0 HHADRL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000013264835 962381006 /nfs/dbraw/zinc/38/10/06/962381006.db2.gz GOMFIBWUFXXENW-UHFFFAOYSA-N -2 0 402.291 3.670 20 0 HHADRL Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000013300730 962385685 /nfs/dbraw/zinc/38/56/85/962385685.db2.gz LLAPZJBTUJTHTI-UHFFFAOYSA-N -2 0 416.480 3.808 20 0 HHADRL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013361167 962391580 /nfs/dbraw/zinc/39/15/80/962391580.db2.gz ZSXALZJJEJKMMW-UHFFFAOYSA-N -2 0 414.277 3.737 20 0 HHADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)O[C@@H](C)C2 ZINC000022244861 963616473 /nfs/dbraw/zinc/61/64/73/963616473.db2.gz IMTKMJWBSDAUEJ-JTQLQIEISA-N -2 0 411.863 3.561 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OC[C@H]2CCCCO2)sc1C(=O)[O-] ZINC000057124593 965298160 /nfs/dbraw/zinc/29/81/60/965298160.db2.gz VYIRSFZLIXPSLG-CYBMUJFWSA-N -2 0 411.501 3.503 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(OC)c1 ZINC000058488445 965751720 /nfs/dbraw/zinc/75/17/20/965751720.db2.gz SHQDUEKMIVKXNI-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000055289353 965806679 /nfs/dbraw/zinc/80/66/79/965806679.db2.gz ZTNXGSQARVNDMK-UHFFFAOYSA-N -2 0 407.391 3.806 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)sc1C(=O)[O-] ZINC000055633064 965978123 /nfs/dbraw/zinc/97/81/23/965978123.db2.gz PPXKVENHVBSIJL-UHFFFAOYSA-N -2 0 407.469 3.865 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC(=O)c1ccccc1 ZINC000032098172 966193897 /nfs/dbraw/zinc/19/38/97/966193897.db2.gz WDDDPHNGWVYJTE-UHFFFAOYSA-N -2 0 410.451 3.746 20 0 HHADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032588156 966287608 /nfs/dbraw/zinc/28/76/08/966287608.db2.gz INTRSSDZXOJPCX-UHFFFAOYSA-N -2 0 420.306 3.798 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c(C(F)(F)F)c1 ZINC000064375034 967160167 /nfs/dbraw/zinc/16/01/67/967160167.db2.gz DZRLRQDQZLTOQC-UHFFFAOYSA-N -2 0 419.377 3.612 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc(C(=O)[O-])c1OC ZINC000045947026 967604569 /nfs/dbraw/zinc/60/45/69/967604569.db2.gz QLQMUIXYXNQWJR-UHFFFAOYSA-N -2 0 419.427 3.518 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c(C)c1CC(=O)[O-] ZINC000542935223 1013769616 /nfs/dbraw/zinc/76/96/16/1013769616.db2.gz JTLUBNGWGJUIET-UHFFFAOYSA-N -2 0 403.500 3.829 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)sc1C(=O)[O-] ZINC000110017726 969610015 /nfs/dbraw/zinc/61/00/15/969610015.db2.gz NMZJIDGQUPDNIG-UHFFFAOYSA-N -2 0 410.498 3.591 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)sc1C(=O)[O-] ZINC000110020087 969610805 /nfs/dbraw/zinc/61/08/05/969610805.db2.gz WGJUCVAGNVLQAH-UHFFFAOYSA-N -2 0 410.498 3.591 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccc1-n1cccc1C(=O)[O-] ZINC000110629431 969697869 /nfs/dbraw/zinc/69/78/69/969697869.db2.gz PUENWWLECXKESM-UHFFFAOYSA-N -2 0 410.373 3.702 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(Br)s1 ZINC000217552575 970085109 /nfs/dbraw/zinc/08/51/09/970085109.db2.gz LRSACKKGLPKZNR-UHFFFAOYSA-N -2 0 414.661 3.802 20 0 HHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000317730480 972658052 /nfs/dbraw/zinc/65/80/52/972658052.db2.gz LEMPGROSSFQADW-VIFPVBQESA-N -2 0 404.307 3.890 20 0 HHADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000318748984 972665284 /nfs/dbraw/zinc/66/52/84/972665284.db2.gz ALVGQFPOIIPGHV-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000325830211 972735609 /nfs/dbraw/zinc/73/56/09/972735609.db2.gz PFUWLYIXHVCEBI-UHFFFAOYSA-N -2 0 420.231 3.843 20 0 HHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000388080410 972804049 /nfs/dbraw/zinc/80/40/49/972804049.db2.gz MDFGJUMDTZXFIP-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000389418447 972812356 /nfs/dbraw/zinc/81/23/56/972812356.db2.gz UUHHIAXNKWIXNE-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000390312435 972821905 /nfs/dbraw/zinc/82/19/05/972821905.db2.gz NVFPBOGHBFBHDP-UHFFFAOYSA-N -2 0 420.281 3.809 20 0 HHADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000390440934 972824486 /nfs/dbraw/zinc/82/44/86/972824486.db2.gz WUOXYNLVXRAEEI-UHFFFAOYSA-N -2 0 424.269 3.547 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cs1 ZINC000425970112 974075476 /nfs/dbraw/zinc/07/54/76/974075476.db2.gz YWYPIAGEPPSHNU-UHFFFAOYSA-N -2 0 408.501 3.766 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccc(Cl)cc2)cnn1C ZINC000427199752 974973159 /nfs/dbraw/zinc/97/31/59/974973159.db2.gz ZXPAZJFGKIEYTA-UHFFFAOYSA-N -2 0 421.862 3.673 20 0 HHADRL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000433495877 979337442 /nfs/dbraw/zinc/33/74/42/979337442.db2.gz IBUPQNUGWQOIRP-UHFFFAOYSA-N -2 0 405.472 3.712 20 0 HHADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)cc1 ZINC000433511304 979348149 /nfs/dbraw/zinc/34/81/49/979348149.db2.gz SICHARJFDZYEBW-UHFFFAOYSA-N -2 0 417.483 3.856 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc(C(F)(F)F)c1 ZINC000436010631 981153029 /nfs/dbraw/zinc/15/30/29/981153029.db2.gz YRGDAJXQHKMMTF-UHFFFAOYSA-N -2 0 423.372 3.661 20 0 HHADRL Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)n[nH]2)c1 ZINC000436157000 981225932 /nfs/dbraw/zinc/22/59/32/981225932.db2.gz ASKMIUIYAKLKQQ-UHFFFAOYSA-N -2 0 403.435 3.640 20 0 HHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)c1 ZINC000436724694 981532334 /nfs/dbraw/zinc/53/23/34/981532334.db2.gz QGOLMYWEOWOLSM-UHFFFAOYSA-N -2 0 414.277 3.579 20 0 HHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000436740033 981539545 /nfs/dbraw/zinc/53/95/45/981539545.db2.gz QDRYVEDNZSEDEN-UHFFFAOYSA-N -2 0 424.434 3.623 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cnn1-c1ccc(Cl)cc1 ZINC000460823054 982575237 /nfs/dbraw/zinc/57/52/37/982575237.db2.gz IVRYYNCUSJYBFF-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000460828159 982578622 /nfs/dbraw/zinc/57/86/22/982578622.db2.gz AHXHNURGVSOFCO-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(OCc2ccccc2)c1 ZINC000438814650 983089134 /nfs/dbraw/zinc/08/91/34/983089134.db2.gz YOWQAYNCNLDXDA-UHFFFAOYSA-N -2 0 419.480 3.835 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c(F)c1 ZINC000438816023 983090083 /nfs/dbraw/zinc/09/00/83/983090083.db2.gz VHSBBWNMSBEROW-UHFFFAOYSA-N -2 0 406.366 3.651 20 0 HHADRL Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000462083756 985055052 /nfs/dbraw/zinc/05/50/52/985055052.db2.gz IYWJILYVXIWSDF-UHFFFAOYSA-N -2 0 412.409 3.540 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000462098314 985069417 /nfs/dbraw/zinc/06/94/17/985069417.db2.gz OJWKWANADDVOSR-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)c1O ZINC000462103719 985074164 /nfs/dbraw/zinc/07/41/64/985074164.db2.gz QXHMOVKVKLWPSF-UHFFFAOYSA-N -2 0 417.842 3.538 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000443358281 985520467 /nfs/dbraw/zinc/52/04/67/985520467.db2.gz GEDPDWSNFDPUER-UHFFFAOYSA-N -2 0 424.645 3.844 20 0 HHADRL Cc1nc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)sc1Cc1cccc(C)c1 ZINC000468007499 985659024 /nfs/dbraw/zinc/65/90/24/985659024.db2.gz XTGZYIKVNYYDPE-UHFFFAOYSA-N -2 0 421.482 3.661 20 0 HHADRL Cc1nc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)sc1Cc1ccc(C)cc1 ZINC000468010468 985663512 /nfs/dbraw/zinc/66/35/12/985663512.db2.gz YUERBYNUFFLZHQ-UHFFFAOYSA-N -2 0 421.482 3.661 20 0 HHADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000463375706 986342221 /nfs/dbraw/zinc/34/22/21/986342221.db2.gz HZRZYYVXQVFPHR-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000468755506 986469637 /nfs/dbraw/zinc/46/96/37/986469637.db2.gz AJWKPRLVOJZEJT-UHFFFAOYSA-N -2 0 413.879 3.620 20 0 HHADRL Cc1ccc(-c2nc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)sc2C)s1 ZINC000468767643 986480832 /nfs/dbraw/zinc/48/08/32/986480832.db2.gz ATGFZDQXGFDPJT-UHFFFAOYSA-N -2 0 413.484 3.799 20 0 HHADRL Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000469551486 987222725 /nfs/dbraw/zinc/22/27/25/987222725.db2.gz HMWFIEMNEDTQKP-UHFFFAOYSA-N -2 0 416.437 3.884 20 0 HHADRL Cc1csc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2F)n1 ZINC000470265800 988214735 /nfs/dbraw/zinc/21/47/35/988214735.db2.gz WNAWWMFOKUCWKD-UHFFFAOYSA-N -2 0 414.461 3.943 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C(C)C)n2)cc(C(=O)[O-])c1C ZINC000471116586 989221041 /nfs/dbraw/zinc/22/10/41/989221041.db2.gz NWMZRMOMZPGFCQ-UHFFFAOYSA-N -2 0 414.487 3.711 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000471118007 989223068 /nfs/dbraw/zinc/22/30/68/989223068.db2.gz YNDUYLIRBMNCBR-MRXNPFEDSA-N -2 0 419.499 3.669 20 0 HHADRL COc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471143266 989256229 /nfs/dbraw/zinc/25/62/29/989256229.db2.gz SEMWPBDNMDKVQP-UHFFFAOYSA-N -2 0 414.277 3.574 20 0 HHADRL Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000471566964 989767281 /nfs/dbraw/zinc/76/72/81/989767281.db2.gz RYSUGZWHRICFQB-CYBMUJFWSA-N -2 0 419.890 3.953 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1C(F)(F)F ZINC000471988372 990154425 /nfs/dbraw/zinc/15/44/25/990154425.db2.gz JLVGETPMGNQESD-UHFFFAOYSA-N -2 0 402.325 3.825 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000467744014 992992459 /nfs/dbraw/zinc/99/24/59/992992459.db2.gz FKQYLKZKHQCCTP-UHFFFAOYSA-N -2 0 408.819 3.928 20 0 HHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000467761314 993005195 /nfs/dbraw/zinc/00/51/95/993005195.db2.gz XUBASOHTEJSPFG-UHFFFAOYSA-N -2 0 423.393 3.944 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c(Cl)cc1C(=O)[O-] ZINC000481613563 994469965 /nfs/dbraw/zinc/46/99/65/994469965.db2.gz ONMRMSVFEAHLAP-UHFFFAOYSA-N -2 0 422.846 3.811 20 0 HHADRL CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cc1 ZINC000476244022 996702632 /nfs/dbraw/zinc/70/26/32/996702632.db2.gz ADALAYLUHYRYMR-UHFFFAOYSA-N -2 0 424.906 3.629 20 0 HHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000484577580 996911431 /nfs/dbraw/zinc/91/14/31/996911431.db2.gz ULWSSQSRKBKOHQ-UHFFFAOYSA-N -2 0 409.769 3.866 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000484958956 997336904 /nfs/dbraw/zinc/33/69/04/997336904.db2.gz DPGAWMYYKYLADO-UHFFFAOYSA-N -2 0 423.487 3.772 20 0 HHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000484977787 997343716 /nfs/dbraw/zinc/34/37/16/997343716.db2.gz PSLIDOKHYDSSNC-UHFFFAOYSA-N -2 0 405.472 3.813 20 0 HHADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c(C(=O)[O-])c1 ZINC000485022332 997387212 /nfs/dbraw/zinc/38/72/12/997387212.db2.gz FTGPUNPUSROHIP-UHFFFAOYSA-N -2 0 420.231 3.843 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)cccc1C(=O)[O-] ZINC000485048264 997414006 /nfs/dbraw/zinc/41/40/06/997414006.db2.gz JCEZPNNJGAZWDE-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(Cl)cc1C(=O)[O-] ZINC000485250377 997637641 /nfs/dbraw/zinc/63/76/41/997637641.db2.gz DHZLCMDZNZZNAA-UHFFFAOYSA-N -2 0 422.846 3.866 20 0 HHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cc1Cl ZINC000485257412 997648843 /nfs/dbraw/zinc/64/88/43/997648843.db2.gz FRJIGKPYQCBTQL-UHFFFAOYSA-N -2 0 420.270 3.900 20 0 HHADRL Cc1cc(Br)c(O)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000477339961 998028117 /nfs/dbraw/zinc/02/81/17/998028117.db2.gz SBAWGYGKTWEJSP-UHFFFAOYSA-N -2 0 414.277 3.579 20 0 HHADRL Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3OC(F)(F)F)cc21 ZINC000486095056 998542811 /nfs/dbraw/zinc/54/28/11/998542811.db2.gz WKZULFMEHJKTHL-UHFFFAOYSA-N -2 0 414.361 3.576 20 0 HHADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1 ZINC000486110731 998557777 /nfs/dbraw/zinc/55/77/77/998557777.db2.gz QYOCJHYEOXGBIL-UHFFFAOYSA-N -2 0 407.391 3.806 20 0 HHADRL CCCCn1ccnc1-c1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000478629663 999054579 /nfs/dbraw/zinc/05/45/79/999054579.db2.gz YQNNVABKQVVQML-UHFFFAOYSA-N -2 0 418.457 3.660 20 0 HHADRL CCOc1cc([N-]S(=O)(=O)c2ccccc2SC)c(C(=O)[O-])cc1OCC ZINC000479185107 999315498 /nfs/dbraw/zinc/31/54/98/999315498.db2.gz OOTSAADGEJUJMH-UHFFFAOYSA-N -2 0 411.501 3.705 20 0 HHADRL CCc1ccccc1S(=O)(=O)[N-]c1c(OC)ccc(Br)c1C(=O)[O-] ZINC000479185732 999316252 /nfs/dbraw/zinc/31/62/52/999316252.db2.gz IKIAFVQFRAPSDI-UHFFFAOYSA-N -2 0 414.277 3.519 20 0 HHADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2SC)cc1OC(F)F ZINC000479192168 999319474 /nfs/dbraw/zinc/31/94/74/999319474.db2.gz YXNJXTKTQLCWTG-UHFFFAOYSA-N -2 0 419.427 3.518 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cnn1C(CC)CC ZINC000480199518 999743055 /nfs/dbraw/zinc/74/30/55/999743055.db2.gz LLEXBQPWSXLCCO-UHFFFAOYSA-N -2 0 405.520 3.794 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1ccccc1C ZINC000480230923 999751551 /nfs/dbraw/zinc/75/15/51/999751551.db2.gz VRVIYXCIJPNPBE-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000504507285 1000240016 /nfs/dbraw/zinc/24/00/16/1000240016.db2.gz HAYVYZJVVNZRQJ-UHFFFAOYSA-N -2 0 421.805 3.596 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)sc1C(=O)[O-] ZINC000505299930 1000683030 /nfs/dbraw/zinc/68/30/30/1000683030.db2.gz MRZCKBJAOQIFEY-UHFFFAOYSA-N -2 0 413.370 3.636 20 0 HHADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1F ZINC000497961098 1001580524 /nfs/dbraw/zinc/58/05/24/1001580524.db2.gz XRISMYSLNWQLTO-UHFFFAOYSA-N -2 0 413.224 3.569 20 0 HHADRL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)no1 ZINC000507893361 1002426352 /nfs/dbraw/zinc/42/63/52/1002426352.db2.gz MIFXVYJGBXTLMH-UHFFFAOYSA-N -2 0 422.381 3.511 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nn1-c1ccccc1Cl ZINC000507906822 1002441493 /nfs/dbraw/zinc/44/14/93/1002441493.db2.gz SKIJTYDRKZDOGS-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000499496079 1002884666 /nfs/dbraw/zinc/88/46/66/1002884666.db2.gz SBBPZMSCKNFUGS-UHFFFAOYSA-N -2 0 419.890 3.950 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)ccc1Cl ZINC000500326465 1003626174 /nfs/dbraw/zinc/62/61/74/1003626174.db2.gz JBGMSPOLXGXLQM-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c(Cl)cc1C(=O)[O-] ZINC000509383028 1003812464 /nfs/dbraw/zinc/81/24/64/1003812464.db2.gz GVGYCVVWBUNJOC-UHFFFAOYSA-N -2 0 424.784 3.570 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509392158 1003821769 /nfs/dbraw/zinc/82/17/69/1003821769.db2.gz NRIFWCVIFDMHFK-UHFFFAOYSA-N -2 0 407.341 3.661 20 0 HHADRL COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)c(C(=O)[O-])cc1OC(F)F ZINC000509543984 1003935355 /nfs/dbraw/zinc/93/53/55/1003935355.db2.gz RSJSDQRODJLLCY-UHFFFAOYSA-N -2 0 413.807 3.511 20 0 HHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000509670514 1004018104 /nfs/dbraw/zinc/01/81/04/1004018104.db2.gz ZKPGKNFMFITKST-UHFFFAOYSA-N -2 0 417.842 3.532 20 0 HHADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000512721334 1004517556 /nfs/dbraw/zinc/51/75/56/1004517556.db2.gz UJBUIKQEWVMLSZ-UHFFFAOYSA-N -2 0 413.274 3.558 20 0 HHADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1C ZINC000512726027 1004520434 /nfs/dbraw/zinc/52/04/34/1004520434.db2.gz SGWKHULUSHXIHF-UHFFFAOYSA-N -2 0 408.451 3.680 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)c1 ZINC000512730113 1004523780 /nfs/dbraw/zinc/52/37/80/1004523780.db2.gz ORCDOTKDQNERNT-UHFFFAOYSA-N -2 0 419.459 3.574 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(Br)ccc2C)c1 ZINC000512790227 1004561149 /nfs/dbraw/zinc/56/11/49/1004561149.db2.gz JBBTTXJARIZQHN-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1F ZINC000513449347 1004971597 /nfs/dbraw/zinc/97/15/97/1004971597.db2.gz WWAIUQWFDAKSPB-UHFFFAOYSA-N -2 0 420.487 3.736 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cccc(F)c4)nc3c2)cs1 ZINC000511734635 1005298493 /nfs/dbraw/zinc/29/84/93/1005298493.db2.gz NOGXWKWYUDOEKC-UHFFFAOYSA-N -2 0 417.443 3.930 20 0 HHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000534688808 1006671655 /nfs/dbraw/zinc/67/16/55/1006671655.db2.gz AATWTJZEPIFESO-UHFFFAOYSA-N -2 0 416.268 3.796 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC1CCCCC1 ZINC000535025369 1007070089 /nfs/dbraw/zinc/07/00/89/1007070089.db2.gz PSRHKJVJAMIJLV-UHFFFAOYSA-N -2 0 418.515 3.868 20 0 HHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000532849409 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PQQAYDICWHFJSJ-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2Cl)cc1F ZINC000551467080 1010603531 /nfs/dbraw/zinc/60/35/31/1010603531.db2.gz RDBRJOKVJWRJKY-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000548595533 1010674902 /nfs/dbraw/zinc/67/49/02/1010674902.db2.gz VROBMEQJKMZVAY-UHFFFAOYSA-N -2 0 408.234 3.781 20 0 HHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000548767667 1010726221 /nfs/dbraw/zinc/72/62/21/1010726221.db2.gz BUAMPUVRZGKOAH-UHFFFAOYSA-N -2 0 421.368 3.932 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)sc1C(=O)[O-] ZINC000522528479 1011064589 /nfs/dbraw/zinc/06/45/89/1011064589.db2.gz BOEPEZNCDNDYMP-RUZDIDTESA-N -2 0 415.558 3.603 20 0 HHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000541307370 1012015090 /nfs/dbraw/zinc/01/50/90/1012015090.db2.gz XMHOLJOGIRUZPV-UHFFFAOYSA-N -2 0 415.414 3.617 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cc(SC)ccc2C)c(Cl)cc1C(=O)[O-] ZINC000537196173 1012612849 /nfs/dbraw/zinc/61/28/49/1012612849.db2.gz YGOUWZFNQVZUJJ-UHFFFAOYSA-N -2 0 401.893 3.878 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)sc1C(=O)[O-] ZINC000537197813 1012616154 /nfs/dbraw/zinc/61/61/54/1012616154.db2.gz FEHRCRRNPAGUPT-UHFFFAOYSA-N -2 0 413.480 3.894 20 0 HHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c1Br ZINC000541807687 1012691115 /nfs/dbraw/zinc/69/11/15/1012691115.db2.gz PFSNCHZKPZXNSF-LBPRGKRZSA-N -2 0 412.305 3.822 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C)n(-c3cccc(Cl)c3)n2)cc1C(=O)[O-] ZINC000537393364 1012875432 /nfs/dbraw/zinc/87/54/32/1012875432.db2.gz BPSDWALWUBQWPB-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc(Cl)c3-n3cccn3)c1)CCC2 ZINC000614841634 1071756844 /nfs/dbraw/zinc/75/68/44/1071756844.db2.gz NWFZYEWEZLVIRJ-UHFFFAOYSA-N -2 0 417.874 3.513 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)ccc1Cl ZINC000729664563 1071778753 /nfs/dbraw/zinc/77/87/53/1071778753.db2.gz OCWSKGXJNUOXLE-UHFFFAOYSA-N -2 0 418.858 3.813 20 0 HHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(OC(F)(F)F)c1 ZINC000488212269 1072138949 /nfs/dbraw/zinc/13/89/49/1072138949.db2.gz GQOBIXVRMJESKP-UHFFFAOYSA-N -2 0 412.345 3.632 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000479391914 1072805428 /nfs/dbraw/zinc/80/54/28/1072805428.db2.gz OHXVQHTZJSYUMH-UHFFFAOYSA-N -2 0 411.863 3.510 20 0 HHADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479414660 1072837225 /nfs/dbraw/zinc/83/72/25/1072837225.db2.gz WVPJVDUGEZCISH-UHFFFAOYSA-N -2 0 424.906 3.629 20 0 HHADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)c1 ZINC000555122597 1073164954 /nfs/dbraw/zinc/16/49/54/1073164954.db2.gz XJLTZFYDXCTGGK-UHFFFAOYSA-N -2 0 420.393 3.580 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccc1 ZINC000591045998 1074090782 /nfs/dbraw/zinc/09/07/82/1074090782.db2.gz ZJFZFTSKRWFSMS-UHFFFAOYSA-N -2 0 420.874 3.567 20 0 HHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000542234280 1013189102 /nfs/dbraw/zinc/18/91/02/1013189102.db2.gz VREPLWYGXJOOSF-UHFFFAOYSA-N -2 0 419.503 3.545 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1 ZINC000007709077 961292590 /nfs/dbraw/zinc/29/25/90/961292590.db2.gz NRVMSTQIYTYDKZ-UHFFFAOYSA-N -2 0 410.451 3.746 20 0 HHADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1OC ZINC000013265258 962382156 /nfs/dbraw/zinc/38/21/56/962382156.db2.gz NHDFRVBQVIIFPP-UHFFFAOYSA-N -2 0 420.270 3.818 20 0 HHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OCC(F)(F)F ZINC000025509976 964290195 /nfs/dbraw/zinc/29/01/95/964290195.db2.gz KXUZRORYZRLXBM-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL Cc1cc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000553656226 1013525662 /nfs/dbraw/zinc/52/56/62/1013525662.db2.gz KOFWRORGMWCFEZ-UHFFFAOYSA-N 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O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)c1 ZINC000110902667 969738788 /nfs/dbraw/zinc/73/87/88/969738788.db2.gz PYSBCHVQKWJTEI-UHFFFAOYSA-N -3 0 419.436 3.738 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)ccc1F ZINC000314752859 972641098 /nfs/dbraw/zinc/64/10/98/972641098.db2.gz UHOFATGNGQEMAH-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1Br ZINC000316666700 972650580 /nfs/dbraw/zinc/65/05/80/972650580.db2.gz URSZANHFUVDDBB-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000318022298 972659004 /nfs/dbraw/zinc/65/90/04/972659004.db2.gz UKPXDHATLJQMQN-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000318995768 972667798 /nfs/dbraw/zinc/66/77/98/972667798.db2.gz LPTYQVOSYVSFRY-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000322038715 972696084 /nfs/dbraw/zinc/69/60/84/972696084.db2.gz WNWNLCLPJBLLEZ-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(F)c2C)c1Br ZINC000322373755 972700844 /nfs/dbraw/zinc/70/08/44/972700844.db2.gz BELTYRKSSQHSOI-UHFFFAOYSA-N -2 0 402.241 3.704 20 0 HHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1Br ZINC000322948299 972705954 /nfs/dbraw/zinc/70/59/54/972705954.db2.gz NSAXRPCUNYYWGO-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)cc1C(=O)[O-] ZINC000328309406 972767447 /nfs/dbraw/zinc/76/74/47/972767447.db2.gz OJUXGIOFGIUWIE-UHFFFAOYSA-N -2 0 421.272 3.805 20 0 HHADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Br)c1C ZINC000391931701 972845759 /nfs/dbraw/zinc/84/57/59/972845759.db2.gz YTLWPBUWBGLNOX-UHFFFAOYSA-N -2 0 419.684 3.613 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cccc1C(=O)[O-] ZINC000410399854 973999770 /nfs/dbraw/zinc/99/97/70/973999770.db2.gz WYGBNEBNDMGUTE-UHFFFAOYSA-N -2 0 415.414 3.617 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)cc1)C(=O)[O-] ZINC000410399556 973999818 /nfs/dbraw/zinc/99/98/18/973999818.db2.gz PQEPQJXZIIQMLJ-JTQLQIEISA-N -2 0 416.268 3.652 20 0 HHADRL O=C(Nc1cccc(Cl)c1[O-])[C@H]1CC[C@@H](C(=O)Nc2cccc(Cl)c2[O-])O1 ZINC000427633445 975217767 /nfs/dbraw/zinc/21/77/67/975217767.db2.gz JHFAXDNNOIEFJI-OKILXGFUSA-N -2 0 411.241 3.529 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cnn1-c1ccccc1C ZINC000432050275 978661323 /nfs/dbraw/zinc/66/13/23/978661323.db2.gz YLQHEPSWVDASRS-UHFFFAOYSA-N -2 0 403.460 3.534 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1-c1ccc(F)cc1 ZINC000432095123 978677961 /nfs/dbraw/zinc/67/79/61/978677961.db2.gz WIOAETSFJVIBAY-UHFFFAOYSA-N -2 0 421.425 3.602 20 0 HHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(-c3cc4ccccc4s3)[nH]n2)c1 ZINC000432483426 978840338 /nfs/dbraw/zinc/84/03/38/978840338.db2.gz APJWFBRKAPROBZ-UHFFFAOYSA-N -2 0 405.482 3.852 20 0 HHADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)c(Cl)c1Cl ZINC000432782392 978973147 /nfs/dbraw/zinc/97/31/47/978973147.db2.gz XENAWGYNOQXJFR-UHFFFAOYSA-N -2 0 406.243 3.510 20 0 HHADRL CC(C)CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1 ZINC000433505775 979343184 /nfs/dbraw/zinc/34/31/84/979343184.db2.gz JOMWRNDKVJYRLQ-UHFFFAOYSA-N -2 0 419.499 3.960 20 0 HHADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000433508539 979345795 /nfs/dbraw/zinc/34/57/95/979345795.db2.gz WXXVWASPXJFBFN-UHFFFAOYSA-N -2 0 413.904 3.910 20 0 HHADRL CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(C)C ZINC000433611308 979424173 /nfs/dbraw/zinc/42/41/73/979424173.db2.gz ATBFGIYCXOPHHR-UHFFFAOYSA-N -2 0 410.517 3.508 20 0 HHADRL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000435139032 980670482 /nfs/dbraw/zinc/67/04/82/980670482.db2.gz MMXIQPFZTSCHOC-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cnn1C1CCCC1 ZINC000435718892 981000811 /nfs/dbraw/zinc/00/08/11/981000811.db2.gz HAPYHBZFVRNRNY-UHFFFAOYSA-N -2 0 421.519 3.659 20 0 HHADRL Cc1cccnc1-c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000436888478 981602163 /nfs/dbraw/zinc/60/21/63/981602163.db2.gz NFQAATXYKCCXDG-UHFFFAOYSA-N -2 0 414.468 3.675 20 0 HHADRL O=S(=O)([N-]c1ccc(-c2nc([C@@H]3CCCS3)no2)c([O-])c1)c1cccs1 ZINC000436938023 981634713 /nfs/dbraw/zinc/63/47/13/981634713.db2.gz SKYRIRAZAGTHOW-ZDUSSCGKSA-N -2 0 409.514 3.873 20 0 HHADRL C[C@H]1C[C@@H](c2noc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3[O-])n2)CCO1 ZINC000436944695 981637613 /nfs/dbraw/zinc/63/76/13/981637613.db2.gz CBMAPGIPWWDFFZ-RYUDHWBXSA-N -2 0 421.500 3.587 20 0 HHADRL Cc1occc1-c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000436955011 981644402 /nfs/dbraw/zinc/64/44/02/981644402.db2.gz BZERTBGQESYQKL-UHFFFAOYSA-N -2 0 403.441 3.873 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461338157 983026447 /nfs/dbraw/zinc/02/64/47/983026447.db2.gz GDIKGZRIDFCFGX-UHFFFAOYSA-N -2 0 409.407 3.594 20 0 HHADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461339360 983027166 /nfs/dbraw/zinc/02/71/66/983027166.db2.gz OJRQNTBUYUFYMU-UHFFFAOYSA-N -2 0 420.434 3.866 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(OCC(F)(F)F)c1 ZINC000438791287 983072797 /nfs/dbraw/zinc/07/27/97/983072797.db2.gz FVYUWXXUAKCYRD-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2)n1 ZINC000438800451 983079186 /nfs/dbraw/zinc/07/91/86/983079186.db2.gz GLSLTWXLMMBKBG-UHFFFAOYSA-N -2 0 407.448 3.833 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)c(F)c1 ZINC000438810077 983085089 /nfs/dbraw/zinc/08/50/89/983085089.db2.gz WZFBWFJSXJITEP-UHFFFAOYSA-N -2 0 414.414 3.577 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1Oc1cccnc1 ZINC000438817987 983092049 /nfs/dbraw/zinc/09/20/49/983092049.db2.gz JFABHFKTBUVUOD-UHFFFAOYSA-N -2 0 402.403 3.820 20 0 HHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000439623462 983474989 /nfs/dbraw/zinc/47/49/89/983474989.db2.gz JNJOZHIMGNNKDJ-UHFFFAOYSA-N -2 0 401.362 3.554 20 0 HHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)c2ccccc12 ZINC000462104769 985076003 /nfs/dbraw/zinc/07/60/03/985076003.db2.gz TVBWEJLPNVDZKZ-UHFFFAOYSA-N -2 0 401.440 3.746 20 0 HHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cccc1C(=O)[O-] ZINC000443408209 985563744 /nfs/dbraw/zinc/56/37/44/985563744.db2.gz KCZVEKOQFAEBAQ-UHFFFAOYSA-N -2 0 405.472 3.686 20 0 HHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)c1 ZINC000443532219 985704198 /nfs/dbraw/zinc/70/41/98/985704198.db2.gz NEXHPMWFUREUBF-UHFFFAOYSA-N -2 0 407.341 3.656 20 0 HHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1)C(=O)[O-] ZINC000463781459 986771835 /nfs/dbraw/zinc/77/18/35/986771835.db2.gz IPYIFUPGDRLBKE-ZDUSSCGKSA-N -2 0 412.305 3.903 20 0 HHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1Br ZINC000463801920 986793346 /nfs/dbraw/zinc/79/33/46/986793346.db2.gz UISKSLMBJAHNLM-UHFFFAOYSA-N -2 0 408.632 3.741 20 0 HHADRL Cc1csc(Nc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)cc2)n1 ZINC000469359943 987059828 /nfs/dbraw/zinc/05/98/28/987059828.db2.gz UYXKDOXRDKIGFJ-UHFFFAOYSA-N -2 0 408.443 3.505 20 0 HHADRL Cc1cccc(COc2cccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)c2)c1 ZINC000469986187 987602225 /nfs/dbraw/zinc/60/22/25/987602225.db2.gz VHTIQRYQVPXJCQ-UHFFFAOYSA-N -2 0 416.437 3.884 20 0 HHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3Cl)c2)cs1 ZINC000473432703 994283893 /nfs/dbraw/zinc/28/38/93/994283893.db2.gz GDZPZOVPWQTSOJ-UHFFFAOYSA-N -2 0 418.283 3.740 20 0 HHADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000484234415 996649987 /nfs/dbraw/zinc/64/99/87/996649987.db2.gz OZCHDCWRNADQCA-UHFFFAOYSA-N -2 0 417.842 3.531 20 0 HHADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476271877 996722001 /nfs/dbraw/zinc/72/20/01/996722001.db2.gz BKNUOOAEKAIGPK-UHFFFAOYSA-N -2 0 415.876 3.568 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)sc1C(=O)[O-] ZINC000476385661 996829318 /nfs/dbraw/zinc/82/93/18/996829318.db2.gz AQEMTAYUBMHPLS-UHFFFAOYSA-N -2 0 422.459 3.669 20 0 HHADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000476406614 996866083 /nfs/dbraw/zinc/86/60/83/996866083.db2.gz DRHRGHVVZIZOAH-UHFFFAOYSA-N -2 0 414.277 3.735 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])s1 ZINC000484930121 997305342 /nfs/dbraw/zinc/30/53/42/997305342.db2.gz XTOGTDWEOYVKKW-UHFFFAOYSA-N -2 0 404.307 3.880 20 0 HHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000484988547 997350153 /nfs/dbraw/zinc/35/01/53/997350153.db2.gz RTOUVDRDZQMIAG-UHFFFAOYSA-N -2 0 400.456 3.829 20 0 HHADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)c1 ZINC000485264084 997657180 /nfs/dbraw/zinc/65/71/80/997657180.db2.gz WAUHZYAUKFXTEU-UHFFFAOYSA-N -2 0 401.415 3.621 20 0 HHADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)c1 ZINC000485279457 997674363 /nfs/dbraw/zinc/67/43/63/997674363.db2.gz WBWLXBNUJJQKKU-UHFFFAOYSA-N -2 0 409.382 3.821 20 0 HHADRL Cc1cc(Br)c(O)c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000477340795 998029431 /nfs/dbraw/zinc/02/94/31/998029431.db2.gz LYAUEWBLHZVPAN-UHFFFAOYSA-N -2 0 414.277 3.579 20 0 HHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1NC(=O)c1ccccc1 ZINC000477414734 998099805 /nfs/dbraw/zinc/09/98/05/998099805.db2.gz GRKZENJPWMYDCU-UHFFFAOYSA-N -2 0 410.451 3.746 20 0 HHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(OC(F)(F)F)c1 ZINC000486088823 998535830 /nfs/dbraw/zinc/53/58/30/998535830.db2.gz AMCNGLNABNYIRY-UHFFFAOYSA-N -2 0 401.318 3.830 20 0 HHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)s1 ZINC000486130251 998578620 /nfs/dbraw/zinc/57/86/20/998578620.db2.gz RTRYABMHHBBUOV-UHFFFAOYSA-N -2 0 416.496 3.588 20 0 HHADRL Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)o1 ZINC000479257821 999350880 /nfs/dbraw/zinc/35/08/80/999350880.db2.gz XGMLTLOEBHKSOV-UHFFFAOYSA-N -2 0 407.835 3.506 20 0 HHADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1 ZINC000488256761 999412455 /nfs/dbraw/zinc/41/24/55/999412455.db2.gz ASYKOUQURJAKPZ-UHFFFAOYSA-N -2 0 417.361 3.677 20 0 HHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000479448558 999422551 /nfs/dbraw/zinc/42/25/51/999422551.db2.gz CLOWIEWSDDGSKW-UHFFFAOYSA-N -2 0 409.769 3.888 20 0 HHADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000479528617 999462499 /nfs/dbraw/zinc/46/24/99/999462499.db2.gz PRPZQDHPEAKCMW-UHFFFAOYSA-N -2 0 419.480 3.931 20 0 HHADRL COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1)CCC2 ZINC000480238769 999753559 /nfs/dbraw/zinc/75/35/59/999753559.db2.gz CRBHLEGZRRCCBZ-UHFFFAOYSA-N -2 0 419.499 3.537 20 0 HHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1C ZINC000480242387 999754699 /nfs/dbraw/zinc/75/46/99/999754699.db2.gz BPGPBCPQKDYQTL-VIFPVBQESA-N -2 0 405.398 3.680 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cnn1-c1ccc(Cl)cc1 ZINC000480243735 999754927 /nfs/dbraw/zinc/75/49/27/999754927.db2.gz VUYYKOLMLMBVKL-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000480245197 999755232 /nfs/dbraw/zinc/75/52/32/999755232.db2.gz YTBHKBOAHGQCAR-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)c1C(C)C ZINC000480256499 999757533 /nfs/dbraw/zinc/75/75/33/999757533.db2.gz ZVTXYYOHCGREDV-UHFFFAOYSA-N -2 0 423.535 3.688 20 0 HHADRL Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489695294 999819147 /nfs/dbraw/zinc/81/91/47/999819147.db2.gz KECFWSNZWSETEL-UHFFFAOYSA-N -2 0 424.906 3.533 20 0 HHADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000491574643 1000085001 /nfs/dbraw/zinc/08/50/01/1000085001.db2.gz XLCZTBRZGSXOOT-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Br)cc1C(=O)[O-] ZINC000491578416 1000085364 /nfs/dbraw/zinc/08/53/64/1000085364.db2.gz GLZJLFZQOUCLSQ-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000504696455 1000330611 /nfs/dbraw/zinc/33/06/11/1000330611.db2.gz YTKHZVNJRKSOSZ-UHFFFAOYSA-N -2 0 408.234 3.787 20 0 HHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1)C(=O)[O-] ZINC000504703175 1000333181 /nfs/dbraw/zinc/33/31/81/1000333181.db2.gz NIEJRYHOHMOUNY-LBPRGKRZSA-N -2 0 404.469 3.708 20 0 HHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000498006514 1001600864 /nfs/dbraw/zinc/60/08/64/1001600864.db2.gz BFDFRRLPJJNXOH-UHFFFAOYSA-N -2 0 404.669 3.910 20 0 HHADRL Cc1c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c2ccccc2n1C ZINC000507639989 1002241158 /nfs/dbraw/zinc/24/11/58/1002241158.db2.gz YMBLIOOQVZNCNS-CYBMUJFWSA-N -2 0 404.513 3.853 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cc(C(=O)[O-])c1 ZINC000507651083 1002250933 /nfs/dbraw/zinc/25/09/33/1002250933.db2.gz RLRZDEYTXZFETR-UHFFFAOYSA-N -2 0 406.204 3.535 20 0 HHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1ccccc1Cl ZINC000507979720 1002508661 /nfs/dbraw/zinc/50/86/61/1002508661.db2.gz OJNMPWQLQMNXEE-UHFFFAOYSA-N -2 0 419.890 3.896 20 0 HHADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000499492419 1002880715 /nfs/dbraw/zinc/88/07/15/1002880715.db2.gz APYPWKPRBRYIDQ-UHFFFAOYSA-N -2 0 419.890 3.652 20 0 HHADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000510087715 1004314219 /nfs/dbraw/zinc/31/42/19/1004314219.db2.gz TUHASQGCDKNRDB-UHFFFAOYSA-N -2 0 411.483 3.559 20 0 HHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)c1 ZINC000512757980 1004540548 /nfs/dbraw/zinc/54/05/48/1004540548.db2.gz VGDQHFSDXGWPEA-UHFFFAOYSA-N -2 0 422.459 3.669 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC[C@H]2CCCCO2)c(C)c1C(=O)[O-] ZINC000512785776 1004558956 /nfs/dbraw/zinc/55/89/56/1004558956.db2.gz OKSLMHDLEVCRRV-MRXNPFEDSA-N -2 0 419.499 3.750 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000511093928 1005016160 /nfs/dbraw/zinc/01/61/60/1005016160.db2.gz WPDQCJALWCXEPF-UHFFFAOYSA-N -2 0 407.341 3.574 20 0 HHADRL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000513813113 1005139179 /nfs/dbraw/zinc/13/91/79/1005139179.db2.gz XUSCFIKNGUFITI-UHFFFAOYSA-N -2 0 420.668 3.616 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3)c2)cc(C(=O)[O-])c1C ZINC000531600211 1006297760 /nfs/dbraw/zinc/29/77/60/1006297760.db2.gz QPKRTBOKCKPGFC-UHFFFAOYSA-N -2 0 419.890 3.701 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cccn1 ZINC000515628577 1006566627 /nfs/dbraw/zinc/56/66/27/1006566627.db2.gz HZCKIGNUJJUVNL-UHFFFAOYSA-N -2 0 405.863 3.587 20 0 HHADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000534974713 1007031709 /nfs/dbraw/zinc/03/17/09/1007031709.db2.gz AHBQZZZMPWOXSV-UHFFFAOYSA-N -2 0 402.291 3.670 20 0 HHADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc1Cl ZINC000535067409 1007088893 /nfs/dbraw/zinc/08/88/93/1007088893.db2.gz QHODMNNUYMEEBM-UHFFFAOYSA-N -2 0 424.887 3.728 20 0 HHADRL COc1cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c(Cl)cc1C(=O)[O-] ZINC000532846577 1007232426 /nfs/dbraw/zinc/23/24/26/1007232426.db2.gz JTIJNXNIVHKHOW-UHFFFAOYSA-N -2 0 418.858 3.910 20 0 HHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC000535399752 1007466218 /nfs/dbraw/zinc/46/62/18/1007466218.db2.gz CWYSEDUOIKVLHC-UHFFFAOYSA-N -2 0 416.268 3.796 20 0 HHADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1C ZINC000539397464 1007704143 /nfs/dbraw/zinc/70/41/43/1007704143.db2.gz NEEGWXPOLVFFGF-CQSZACIVSA-N -2 0 409.508 3.515 20 0 HHADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000517925133 1008059013 /nfs/dbraw/zinc/05/90/13/1008059013.db2.gz QYNJDULDDQJPLR-UHFFFAOYSA-N -2 0 421.233 3.590 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)cc(C(=O)[O-])c1C ZINC000540213260 1008338259 /nfs/dbraw/zinc/33/82/59/1008338259.db2.gz QKLHIMXCITUGAX-UHFFFAOYSA-N -2 0 403.378 3.585 20 0 HHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000543654619 1009259577 /nfs/dbraw/zinc/25/95/77/1009259577.db2.gz YYIDGOGDGPIWME-JTQLQIEISA-N -2 0 405.369 3.909 20 0 HHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000544095340 1009705451 /nfs/dbraw/zinc/70/54/51/1009705451.db2.gz QBHRGAWKLNEUSJ-CYBMUJFWSA-N -2 0 405.472 3.887 20 0 HHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C(C)C)sc2c1 ZINC000520702414 1009770729 /nfs/dbraw/zinc/77/07/29/1009770729.db2.gz JCEUVURETPHAIA-UHFFFAOYSA-N -2 0 420.512 3.856 20 0 HHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2Cl)cc1 ZINC000551107190 1010372605 /nfs/dbraw/zinc/37/26/05/1010372605.db2.gz MSMHLDUXSWIHPJ-UHFFFAOYSA-N -2 0 404.669 3.530 20 0 HHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[n-]3)cc(C(F)(F)F)c2)s1 ZINC000551431421 1010582691 /nfs/dbraw/zinc/58/26/91/1010582691.db2.gz VJJSKYHZFBIQAI-UHFFFAOYSA-N -2 0 418.422 3.621 20 0 HHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000548589259 1010674344 /nfs/dbraw/zinc/67/43/44/1010674344.db2.gz JEIUMAWSDLSIOG-UHFFFAOYSA-N -2 0 404.271 3.820 20 0 HHADRL CCc1nc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3OC(C)C)ccc2o1 ZINC000548595847 1010675789 /nfs/dbraw/zinc/67/57/89/1010675789.db2.gz ZGOPFPNSMZQNAV-UHFFFAOYSA-N -2 0 404.444 3.676 20 0 HHADRL O=S(=O)([N-]c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000545214720 1010687449 /nfs/dbraw/zinc/68/74/49/1010687449.db2.gz SPEIUSZBFIASLS-UHFFFAOYSA-N -2 0 422.915 3.942 20 0 HHADRL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000522958196 1011405903 /nfs/dbraw/zinc/40/59/03/1011405903.db2.gz KTNKGGNWYKNSKR-UHFFFAOYSA-N -2 0 412.254 3.678 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)cc1C(=O)[O-] ZINC000523124707 1011591922 /nfs/dbraw/zinc/59/19/22/1011591922.db2.gz CVMQJIZWCXUYMD-UHFFFAOYSA-N -2 0 405.419 3.990 20 0 HHADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c(C)c1OCC(=O)[O-] ZINC000536629528 1011785713 /nfs/dbraw/zinc/78/57/13/1011785713.db2.gz CVFIGJVZDZAKOF-UHFFFAOYSA-N -2 0 418.496 3.691 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cnn1-c1cccc(F)c1 ZINC000541306007 1012011610 /nfs/dbraw/zinc/01/16/10/1012011610.db2.gz FYAGWEFUCPNJCN-UHFFFAOYSA-N -2 0 423.491 3.833 20 0 HHADRL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000523869982 1012566941 /nfs/dbraw/zinc/56/69/41/1012566941.db2.gz KLGGDJIAQYORJW-UHFFFAOYSA-N -2 0 407.488 3.828 20 0 HHADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)nn1-c1ccccc1Cl ZINC000537395340 1012876931 /nfs/dbraw/zinc/87/69/31/1012876931.db2.gz ULFUQCCVLCGDFI-UHFFFAOYSA-N -2 0 405.863 3.642 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c(C)c1CC(=O)[O-] ZINC000542007887 1012890817 /nfs/dbraw/zinc/89/08/17/1012890817.db2.gz CTDQVEXRWNBAEG-UHFFFAOYSA-N -2 0 417.405 3.938 20 0 HHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c(C)c1CC(=O)[O-] ZINC000542010838 1012894189 /nfs/dbraw/zinc/89/41/89/1012894189.db2.gz BLUPFXQXPRFFSU-UHFFFAOYSA-N -2 0 417.405 3.780 20 0 HHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cnn1-c1ccccc1 ZINC000542093873 1013021460 /nfs/dbraw/zinc/02/14/60/1013021460.db2.gz MJMGNDXVPOORIE-UHFFFAOYSA-N -2 0 413.499 3.941 20 0 HHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2)sc1C(=O)[O-] ZINC000729665107 1071778161 /nfs/dbraw/zinc/77/81/61/1071778161.db2.gz FAZSKURFDXCLCR-UHFFFAOYSA-N -2 0 412.489 3.903 20 0 HHADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000555305789 1073332328 /nfs/dbraw/zinc/33/23/28/1073332328.db2.gz XSTWTCAFWYMROO-UHFFFAOYSA-N -2 0 418.496 3.601 20 0 HHADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-n3cccc3C(=O)[O-])c(C)c2)c(F)c1 ZINC000589149590 1073463135 /nfs/dbraw/zinc/46/31/35/1073463135.db2.gz QMTXPEABTCYJHP-UHFFFAOYSA-N -2 0 422.409 3.572 20 0 HHADRL CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000590470426 1073823953 /nfs/dbraw/zinc/82/39/53/1073823953.db2.gz XLJOHIGQFGBVHR-UHFFFAOYSA-N -2 0 419.908 3.624 20 0 HHADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1C ZINC000903999349 1074173736 /nfs/dbraw/zinc/17/37/36/1074173736.db2.gz MHADSELRRPRFGJ-UHFFFAOYSA-N -2 0 417.270 3.759 20 0 HHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Sc1nccn1C ZINC000591682244 1074485155 /nfs/dbraw/zinc/48/51/55/1074485155.db2.gz JLYPOLRWMWVVIE-UHFFFAOYSA-N -2 0 417.512 3.633 20 0 HHADRL