smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471132703 834869842 /nfs/dbraw/zinc/86/98/42/834869842.db2.gz GHSDUCXSNQQFIU-UHFFFAOYSA-N -2 0 399.472 3.605 20 0 GHADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000683650125 838179291 /nfs/dbraw/zinc/17/92/91/838179291.db2.gz CKVVONGWOICVFP-UHFFFAOYSA-N -2 0 381.475 3.533 20 0 GHADRL CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000544099552 838388162 /nfs/dbraw/zinc/38/81/62/838388162.db2.gz RBNHHGDMLWSKLA-UHFFFAOYSA-N -2 0 393.820 3.839 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(Cl)n1 ZINC000184052160 839425868 /nfs/dbraw/zinc/42/58/68/839425868.db2.gz DZUZVZUZXZAEBA-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cnn1C1CCCC1 ZINC000194225905 840260885 /nfs/dbraw/zinc/26/08/85/840260885.db2.gz AZQHYDRZZIXXNI-UHFFFAOYSA-N -2 0 397.884 3.767 20 0 GHADRL COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000393113668 840525989 /nfs/dbraw/zinc/52/59/89/840525989.db2.gz NBBYXVRIAYTINZ-UHFFFAOYSA-N -2 0 383.491 3.862 20 0 GHADRL CCc1nc2cc(S(=O)(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)ccc2o1 ZINC000548197406 842061435 /nfs/dbraw/zinc/06/14/35/842061435.db2.gz VWSZBHUTCMOSIP-UHFFFAOYSA-N -2 0 380.809 3.543 20 0 GHADRL CSc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2s1 ZINC000326683650 845012036 /nfs/dbraw/zinc/01/20/36/845012036.db2.gz QOHOLSSBIGZVTK-UHFFFAOYSA-N -2 0 398.462 3.656 20 0 GHADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccccc3OC(F)F)c1)CCCC2 ZINC000511145477 847450529 /nfs/dbraw/zinc/45/05/29/847450529.db2.gz UYCYLFZKOPVQRS-UHFFFAOYSA-N -2 0 397.399 3.666 20 0 GHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)ccc12 ZINC000599926281 861917920 /nfs/dbraw/zinc/91/79/20/861917920.db2.gz DIHRNOJLMKCUIL-UHFFFAOYSA-N -2 0 385.228 3.974 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000582866327 848587781 /nfs/dbraw/zinc/58/77/81/848587781.db2.gz HBZGBEWKENUNSQ-UHFFFAOYSA-N -2 0 391.779 3.785 20 0 GHADRL CCCc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)n[nH]2)cc1 ZINC000673896843 862056915 /nfs/dbraw/zinc/05/69/15/862056915.db2.gz BUGGQMFHNFDDID-UHFFFAOYSA-N -2 0 391.474 3.590 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)ccc1F ZINC000488306062 851395305 /nfs/dbraw/zinc/39/53/05/851395305.db2.gz ZSXIDZYTCBKXTG-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1O ZINC000436575136 852060219 /nfs/dbraw/zinc/06/02/19/852060219.db2.gz HWFJDKYSVVDKTI-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)c1 ZINC000436726013 852226108 /nfs/dbraw/zinc/22/61/08/852226108.db2.gz UMKGFIIWVUSMGU-UHFFFAOYSA-N -2 0 399.852 3.640 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1C(=O)[O-] ZINC000156337093 853658271 /nfs/dbraw/zinc/65/82/71/853658271.db2.gz LRMYSRZYSXAQEX-UHFFFAOYSA-N -2 0 391.424 3.564 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1C(=O)[O-] ZINC000156353249 853708468 /nfs/dbraw/zinc/70/84/68/853708468.db2.gz ZJMIVSOZJMYIKO-UHFFFAOYSA-N -2 0 390.392 3.652 20 0 GHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000189468730 855108235 /nfs/dbraw/zinc/10/82/35/855108235.db2.gz WXWFOMRACKZANO-UHFFFAOYSA-N -2 0 378.208 3.560 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2OC)cc1C(=O)[O-] ZINC000589937994 855184383 /nfs/dbraw/zinc/18/43/83/855184383.db2.gz FCJVEKFRWGSREM-UHFFFAOYSA-N -2 0 399.852 3.555 20 0 GHADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000542734994 855586416 /nfs/dbraw/zinc/58/64/16/855586416.db2.gz URZMEDYQSLDZNQ-NSHDSACASA-N -2 0 391.420 3.944 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000485380805 856436097 /nfs/dbraw/zinc/43/60/97/856436097.db2.gz OYWYMVZPUBBEFU-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC000057432519 857205982 /nfs/dbraw/zinc/20/59/82/857205982.db2.gz LDRLDFBHKYTUFC-UHFFFAOYSA-N -2 0 399.424 3.987 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)sc1C(=O)[O-] ZINC000326920175 858742610 /nfs/dbraw/zinc/74/26/10/858742610.db2.gz RFQMZUSTUKLIRB-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC000443531769 858898284 /nfs/dbraw/zinc/89/82/84/858898284.db2.gz QWBVNMQIHKHDOV-CQSZACIVSA-N -2 0 399.472 3.697 20 0 GHADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000483671220 859539574 /nfs/dbraw/zinc/53/95/74/859539574.db2.gz SNASKOPRHFMSHH-UHFFFAOYSA-N -2 0 377.462 3.508 20 0 GHADRL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2cccc3ccccc32)n1 ZINC000484774726 860340637 /nfs/dbraw/zinc/34/06/37/860340637.db2.gz HEULAQKVEWVIIM-UHFFFAOYSA-N -2 0 393.424 3.525 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c(Cl)c1 ZINC000671663207 860597981 /nfs/dbraw/zinc/59/79/81/860597981.db2.gz GPHNWFMIVMNBJH-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1C ZINC000480224022 864294389 /nfs/dbraw/zinc/29/43/89/864294389.db2.gz LGTIXLBFUJVCRS-GFCCVEGCSA-N -2 0 391.493 3.540 20 0 GHADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000737336773 865460487 /nfs/dbraw/zinc/46/04/87/865460487.db2.gz SZXWUECBDGBDHS-UHFFFAOYSA-N -2 0 392.330 3.760 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479516451 867941668 /nfs/dbraw/zinc/94/16/68/867941668.db2.gz LFBHATJUPMQULM-UHFFFAOYSA-N -2 0 392.458 3.583 20 0 GHADRL O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1F ZINC000427303333 882271654 /nfs/dbraw/zinc/27/16/54/882271654.db2.gz ZFLORRWUCYPYDR-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000446626705 870143918 /nfs/dbraw/zinc/14/39/18/870143918.db2.gz YCRCDZSZXRFVHF-UHFFFAOYSA-N -2 0 399.490 3.562 20 0 GHADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(Cl)n1 ZINC001192401874 870373039 /nfs/dbraw/zinc/37/30/39/870373039.db2.gz JRFKTYHQRPGLAX-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(C3CC3)c2)c(Cl)cc1Cl ZINC001192408147 870378319 /nfs/dbraw/zinc/37/83/19/870378319.db2.gz XHRAJYAXDWTIJP-UHFFFAOYSA-N -2 0 387.244 3.765 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c3cnccc23)c(Cl)cc1F ZINC001194016773 871434553 /nfs/dbraw/zinc/43/45/53/871434553.db2.gz JSIOCAKTPHWSSJ-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1 ZINC001194981295 872083782 /nfs/dbraw/zinc/08/37/82/872083782.db2.gz QMISOOVWJRDXJB-QGZVFWFLSA-N -2 0 399.472 3.645 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)nc3ccccc23)c(F)cc1F ZINC001195194597 872247700 /nfs/dbraw/zinc/24/77/00/872247700.db2.gz JECKCJPCLCZLNA-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(-c3ccccc3)c2)c(F)cc1F ZINC001195201207 872253435 /nfs/dbraw/zinc/25/34/35/872253435.db2.gz CJGCQMWMBVSIDA-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL CC(C)(C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195246283 872276466 /nfs/dbraw/zinc/27/64/66/872276466.db2.gz ZFOUGGHCQYHHCB-UHFFFAOYSA-N -2 0 385.388 3.641 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1)C(=O)[O-] ZINC000463794147 872570305 /nfs/dbraw/zinc/57/03/05/872570305.db2.gz FSEZNVORBPBCDF-CYBMUJFWSA-N -2 0 383.416 3.727 20 0 GHADRL CCCc1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)on1 ZINC001196067659 872838794 /nfs/dbraw/zinc/83/87/94/872838794.db2.gz BPVLEPSTPCEOLY-UHFFFAOYSA-N -2 0 386.429 3.793 20 0 GHADRL CC(C)c1nccnc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196076469 872865746 /nfs/dbraw/zinc/86/57/46/872865746.db2.gz VSQUSPQFEKEBDD-UHFFFAOYSA-N -2 0 397.456 3.766 20 0 GHADRL CCCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccccc1 ZINC000541165170 873075241 /nfs/dbraw/zinc/07/52/41/873075241.db2.gz ONIDESCJFDXGPS-UHFFFAOYSA-N -2 0 399.472 3.632 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)ccc1Cl ZINC000768283778 873207288 /nfs/dbraw/zinc/20/72/88/873207288.db2.gz UGVPWOLFIKMUHM-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2ccc(C(F)(F)F)cc2c1 ZINC001198746564 874594305 /nfs/dbraw/zinc/59/43/05/874594305.db2.gz FKBAQEUEHVFKAQ-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000776454457 876554925 /nfs/dbraw/zinc/55/49/25/876554925.db2.gz RZLKZEHYWAIAJP-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL CC1(C)CCc2cccc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)c2O1 ZINC000530148087 877172199 /nfs/dbraw/zinc/17/21/99/877172199.db2.gz YEVYKGZUXIJCDS-UHFFFAOYSA-N -2 0 389.473 3.608 20 0 GHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000179434633 877551906 /nfs/dbraw/zinc/55/19/06/877551906.db2.gz DOLIGWHMMFSLQC-UHFFFAOYSA-N -2 0 389.260 3.597 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000007053765 879469920 /nfs/dbraw/zinc/46/99/20/879469920.db2.gz HPYLTEOSNQWGMW-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)ccc1C ZINC000790389221 879660670 /nfs/dbraw/zinc/66/06/70/879660670.db2.gz LNWSZDDIBAZLCI-UHFFFAOYSA-N -2 0 399.852 3.555 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C1CC1 ZINC000762474959 886258183 /nfs/dbraw/zinc/25/81/83/886258183.db2.gz HKWAYEHTSGGGFS-JTQLQIEISA-N -2 0 397.884 3.884 20 0 GHADRL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000326592395 888527869 /nfs/dbraw/zinc/52/78/69/888527869.db2.gz DFPSLJAXCDATPY-UHFFFAOYSA-N -2 0 389.260 3.558 20 0 GHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000533689487 891120696 /nfs/dbraw/zinc/12/06/96/891120696.db2.gz FMHIDXZKURVTJX-UHFFFAOYSA-N -2 0 397.355 3.527 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Oc1cccnc1 ZINC001185906152 914167088 /nfs/dbraw/zinc/16/70/88/914167088.db2.gz LQNNJHZWAHNMLG-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2csnc2-c2ccccc2)ccc1Cl ZINC000821169337 897777073 /nfs/dbraw/zinc/77/70/73/897777073.db2.gz UYUHMMQNMXZNNF-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccsc2)cc1 ZINC000575972528 901541729 /nfs/dbraw/zinc/54/17/29/901541729.db2.gz JPMOUXOXTMUJHR-UHFFFAOYSA-N -2 0 389.454 3.923 20 0 GHADRL CCOC(=O)Cc1ccc(Cl)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176243865 908001801 /nfs/dbraw/zinc/00/18/01/908001801.db2.gz LXHOVDFKMLKGKG-UHFFFAOYSA-N -2 0 377.780 3.586 20 0 GHADRL CCOC(=O)c1ccc2c(cccc2Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176244147 908003473 /nfs/dbraw/zinc/00/34/73/908003473.db2.gz GPXVTGYGCWDSJT-UHFFFAOYSA-N -2 0 380.356 3.552 20 0 GHADRL O=C([O-])C1(c2ccc(Nc3ccc(S(=O)(=O)[O-])c4ccccc34)cc2)CC1 ZINC001176587960 908168691 /nfs/dbraw/zinc/16/86/91/908168691.db2.gz DUQBRQRQXXTGBK-UHFFFAOYSA-N -2 0 383.425 3.946 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3o2)c1 ZINC001187540384 915340374 /nfs/dbraw/zinc/34/03/74/915340374.db2.gz SJSLVFVSOBICMW-UHFFFAOYSA-N -2 0 387.200 3.634 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(F)c(Cl)c1F ZINC000775298756 916866724 /nfs/dbraw/zinc/86/67/24/916866724.db2.gz WSASLOLWKLJEKM-UHFFFAOYSA-N -2 0 386.763 3.599 20 0 GHADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001189877153 916968493 /nfs/dbraw/zinc/96/84/93/916968493.db2.gz HGWBEJQCMYTKPX-QGZVFWFLSA-N -2 0 386.344 3.617 20 0 GHADRL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000677233340 924293553 /nfs/dbraw/zinc/29/35/53/924293553.db2.gz MMLYLFNBWJNJAS-UHFFFAOYSA-N -2 0 389.351 3.603 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cnc3ccsc3c2)cccc1C(=O)[O-] ZINC000410399169 925616400 /nfs/dbraw/zinc/61/64/00/925616400.db2.gz DGAYDSKLDUAOMH-UHFFFAOYSA-N -2 0 392.458 3.583 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCCC2)cc1 ZINC000467757078 929377718 /nfs/dbraw/zinc/37/77/18/929377718.db2.gz CYJDBLKNZYKSQA-UHFFFAOYSA-N -2 0 379.434 3.799 20 0 GHADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000753522141 929387282 /nfs/dbraw/zinc/38/72/82/929387282.db2.gz PVSNXCFGAMTJTO-UHFFFAOYSA-N -2 0 381.837 3.658 20 0 GHADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753774824 929529560 /nfs/dbraw/zinc/52/95/60/929529560.db2.gz HRPUVNUMVJTFOL-UHFFFAOYSA-N -2 0 387.816 3.685 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1 ZINC000753780050 929533022 /nfs/dbraw/zinc/53/30/22/929533022.db2.gz ZGOYOLSBFVWYTC-UHFFFAOYSA-N -2 0 391.392 3.948 20 0 GHADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1 ZINC000753779030 929533817 /nfs/dbraw/zinc/53/38/17/929533817.db2.gz SGUJRLJJQAMHAG-NSHDSACASA-N -2 0 383.853 3.855 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)nn1[C@H](C)C1CC1 ZINC000783847155 931689292 /nfs/dbraw/zinc/68/92/92/931689292.db2.gz 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IITCWOFVRFRRED-UHFFFAOYSA-N -2 0 395.305 3.569 20 0 GHADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000740281787 600695231 /nfs/dbraw/zinc/69/52/31/600695231.db2.gz ZWJWIMOLILBOKZ-UHFFFAOYSA-N -2 0 383.834 3.759 20 0 GHADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c1 ZINC000833297938 600977246 /nfs/dbraw/zinc/97/72/46/600977246.db2.gz YFBLXDQCBJOTRX-UHFFFAOYSA-N -2 0 386.882 3.564 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)c1C(=O)[O-] ZINC000738970963 601051186 /nfs/dbraw/zinc/05/11/86/601051186.db2.gz ZGTAUZYPZYNSLA-UHFFFAOYSA-N -2 0 397.424 3.856 20 0 GHADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000735647243 601332702 /nfs/dbraw/zinc/33/27/02/601332702.db2.gz XGTNPLILYNUTHJ-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C3CC3)nn2-c2ccccc2)c1C(=O)[O-] ZINC000832972670 601402586 /nfs/dbraw/zinc/40/25/86/601402586.db2.gz JLSZEUXCUPZTQE-UHFFFAOYSA-N -2 0 397.456 3.557 20 0 GHADRL CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000827072473 601484960 /nfs/dbraw/zinc/48/49/60/601484960.db2.gz ANDSTABIJOHBGM-UHFFFAOYSA-N -2 0 392.911 3.796 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c1 ZINC000131939096 601557534 /nfs/dbraw/zinc/55/75/34/601557534.db2.gz AADBIJDZIDKGDY-UHFFFAOYSA-N -2 0 391.342 3.820 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3C)s2)cc1C(=O)[O-] ZINC000832956666 601627958 /nfs/dbraw/zinc/62/79/58/601627958.db2.gz PJTPSXKUKAERKB-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000826860741 601837253 /nfs/dbraw/zinc/83/72/53/601837253.db2.gz DOWSIZSRCNGXJB-UHFFFAOYSA-N -2 0 398.868 3.659 20 0 GHADRL CCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000726519095 601839510 /nfs/dbraw/zinc/83/95/10/601839510.db2.gz OIKXYZBVRVKJJR-UHFFFAOYSA-N -2 0 387.816 3.515 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1-c1ncco1 ZINC000164669013 602202700 /nfs/dbraw/zinc/20/27/00/602202700.db2.gz MXESQKKOXSBIMT-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL CC1=C(C(=O)[O-])[C@H](c2cscc2Cl)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000828136592 604462862 /nfs/dbraw/zinc/46/28/62/604462862.db2.gz WPTQYOHLVOFAEN-AWEZNQCLSA-N -2 0 392.820 3.729 20 0 GHADRL O=C([O-])c1cccc(NC2CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)CC2)c1 ZINC000833331809 604955664 /nfs/dbraw/zinc/95/56/64/604955664.db2.gz ITJRZXMOSKGPFT-UHFFFAOYSA-N -2 0 397.456 3.531 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c(Cl)c1Cl ZINC000833734387 605022655 /nfs/dbraw/zinc/02/26/55/605022655.db2.gz AYEOFCPSJJYYBM-UHFFFAOYSA-N -2 0 382.246 3.563 20 0 GHADRL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(C4(C(=O)[O-])CC4)cc3)nc21 ZINC000833753201 605135158 /nfs/dbraw/zinc/13/51/58/605135158.db2.gz NPELDPVPYRMJGB-UHFFFAOYSA-N -2 0 388.470 3.522 20 0 GHADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833506912 605167796 /nfs/dbraw/zinc/16/77/96/605167796.db2.gz VLNGFVQIRUTYIO-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833651885 605168525 /nfs/dbraw/zinc/16/85/25/605168525.db2.gz FPMRGTGTLCQYLI-UHFFFAOYSA-N -2 0 387.816 3.767 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c1Br ZINC000830533438 605470561 /nfs/dbraw/zinc/47/05/61/605470561.db2.gz VECAGZDGDNXBQV-UHFFFAOYSA-N -2 0 385.239 3.648 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1Cl ZINC000178954436 834875592 /nfs/dbraw/zinc/87/55/92/834875592.db2.gz LTEIWGNAGZQSTR-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)c1 ZINC000024345754 836352274 /nfs/dbraw/zinc/35/22/74/836352274.db2.gz AZWSBEWMWRCRJJ-UHFFFAOYSA-N -2 0 397.421 3.902 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)sc1C(=O)[O-] ZINC000066588458 836375988 /nfs/dbraw/zinc/37/59/88/836375988.db2.gz LFWQGGDNMZKXSS-UHFFFAOYSA-N -2 0 379.431 3.870 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1C(=O)[O-] ZINC000533626629 837273574 /nfs/dbraw/zinc/27/35/74/837273574.db2.gz IOSCDFDUCYIAPZ-UHFFFAOYSA-N -2 0 382.441 3.864 20 0 GHADRL CN1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000048417837 841277172 /nfs/dbraw/zinc/27/71/72/841277172.db2.gz ZYCKIZVEWOWSKV-JYRVWZFOSA-N -2 0 391.383 3.533 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1F ZINC000313228454 841292234 /nfs/dbraw/zinc/29/22/34/841292234.db2.gz RPMKTQSEKPRDAF-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL COc1cc(NS(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)ccc1C(=O)[O-] ZINC000432774405 843778184 /nfs/dbraw/zinc/77/81/84/843778184.db2.gz BSLKAJBIHJEROV-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000731339526 861572099 /nfs/dbraw/zinc/57/20/99/861572099.db2.gz XNHNJHIJMXQOGU-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512786134 845517914 /nfs/dbraw/zinc/51/79/14/845517914.db2.gz VAHOXBCRPTWGGO-UHFFFAOYSA-N -2 0 387.816 3.604 20 0 GHADRL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000502870275 846578100 /nfs/dbraw/zinc/57/81/00/846578100.db2.gz KNOFWKQHTMPGHB-UHFFFAOYSA-N -2 0 376.199 3.905 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000436478392 851946337 /nfs/dbraw/zinc/94/63/37/851946337.db2.gz PZXXBQHSJOJKCH-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC000436997730 852591274 /nfs/dbraw/zinc/59/12/74/852591274.db2.gz XKUNSEBXUVODQS-UHFFFAOYSA-N -2 0 375.427 3.620 20 0 GHADRL CCc1ccc(S(=O)(=O)Nc2cccc(-c3ncco3)c2C)cc1C(=O)[O-] ZINC000427338685 852976356 /nfs/dbraw/zinc/97/63/56/852976356.db2.gz QPHZVGBVOCUOIY-UHFFFAOYSA-N -2 0 386.429 3.711 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(C(=O)[O-])c1 ZINC000507631020 853126515 /nfs/dbraw/zinc/12/65/15/853126515.db2.gz VVPNVHLJQCFFTO-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000058518773 862545734 /nfs/dbraw/zinc/54/57/34/862545734.db2.gz ADWKNJQNAUROEY-UHFFFAOYSA-N -2 0 389.351 3.647 20 0 GHADRL CSc1c(F)cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1F ZINC000543166498 858722998 /nfs/dbraw/zinc/72/29/98/858722998.db2.gz RXZYONFYWRPVJW-UHFFFAOYSA-N -2 0 391.392 3.633 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(O)c1 ZINC000326869258 858729923 /nfs/dbraw/zinc/72/99/23/858729923.db2.gz YGCAFQFJMLIBJH-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccn([C@@H](C)c3ccccc3)n2)cc1C(=O)[O-] ZINC000676723744 858776273 /nfs/dbraw/zinc/77/62/73/858776273.db2.gz LNJBVDJVSISTBR-AWEZNQCLSA-N -2 0 399.472 3.554 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)c(C)c1C(=O)[O-] ZINC000443530217 858908211 /nfs/dbraw/zinc/90/82/11/858908211.db2.gz NPWPURUPHUFISK-UHFFFAOYSA-N -2 0 377.462 3.806 20 0 GHADRL CSc1ccccc1NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000522398659 859348988 /nfs/dbraw/zinc/34/89/88/859348988.db2.gz GYEQVJYWHSTSFO-UHFFFAOYSA-N -2 0 395.502 3.761 20 0 GHADRL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc2O1 ZINC000785484693 859620476 /nfs/dbraw/zinc/62/04/76/859620476.db2.gz BZCFBUOWCXCZAR-KRWDZBQOSA-N -2 0 397.836 3.736 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C(C)C ZINC000480231702 864316613 /nfs/dbraw/zinc/31/66/13/864316613.db2.gz SQLYYPMRPUNIFU-UHFFFAOYSA-N -2 0 379.482 3.614 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1C(CC)CC ZINC000480235427 864320452 /nfs/dbraw/zinc/32/04/52/864320452.db2.gz XLLYYFPWECYKPP-UHFFFAOYSA-N -2 0 385.511 3.676 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C1CC1 ZINC000534972220 867852711 /nfs/dbraw/zinc/85/27/11/867852711.db2.gz LTMVZGWDZOLVCP-GFCCVEGCSA-N -2 0 377.466 3.539 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000157863394 868783103 /nfs/dbraw/zinc/78/31/03/868783103.db2.gz PCCGLWXMGIKNBN-UHFFFAOYSA-N -2 0 379.381 3.660 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1C ZINC000525173966 870142170 /nfs/dbraw/zinc/14/21/70/870142170.db2.gz PUPMTFKILYFMCX-UHFFFAOYSA-N -2 0 389.351 3.527 20 0 GHADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cc1 ZINC000766581403 871183333 /nfs/dbraw/zinc/18/33/33/871183333.db2.gz UGACXELUGKKFIX-UHFFFAOYSA-N -2 0 390.244 3.639 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)no2)c(Cl)cc1F ZINC001193973528 871411286 /nfs/dbraw/zinc/41/12/86/871411286.db2.gz RSBSBHJNVPROEY-UHFFFAOYSA-N -2 0 388.804 3.624 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccsc3c2)c(Cl)cc1F ZINC001193974513 871411312 /nfs/dbraw/zinc/41/13/12/871411312.db2.gz MWSWLLDNJGJHRE-UHFFFAOYSA-N -2 0 386.813 3.588 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c3cccnc23)c(Cl)cc1F ZINC001194011449 871431630 /nfs/dbraw/zinc/43/16/30/871431630.db2.gz CNHYTQIFMJTCBV-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL CCC1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CCC(F)(F)CC1 ZINC001194040860 871457198 /nfs/dbraw/zinc/45/71/98/871457198.db2.gz RXYGWCJOWAUWIM-UHFFFAOYSA-N -2 0 399.818 3.814 20 0 GHADRL Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195234415 872242497 /nfs/dbraw/zinc/24/24/97/872242497.db2.gz JSYSUZZMZGGQRN-UHFFFAOYSA-N -2 0 395.305 3.791 20 0 GHADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cc1 ZINC001196096239 872876841 /nfs/dbraw/zinc/87/68/41/872876841.db2.gz DJUHTHLLVMUKQM-UHFFFAOYSA-N -2 0 397.408 3.551 20 0 GHADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2cccc(Cl)c2)s1 ZINC000769621768 874202040 /nfs/dbraw/zinc/20/20/40/874202040.db2.gz QGUOKBDKLHNIIL-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000551475086 877280120 /nfs/dbraw/zinc/28/01/20/877280120.db2.gz LLJYKNNSFHBOKG-UHFFFAOYSA-N -2 0 397.880 3.947 20 0 GHADRL COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)ccc1OCCC(=O)[O-] ZINC000460782949 878556297 /nfs/dbraw/zinc/55/62/97/878556297.db2.gz CIMQEUJSSXVHBI-UVTDQMKNSA-N -2 0 397.383 3.705 20 0 GHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)s1 ZINC000460461301 881188231 /nfs/dbraw/zinc/18/82/31/881188231.db2.gz SPDWNWVKLDKSHB-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)(C)C)sc1C(=O)[O-] ZINC000498487869 884591176 /nfs/dbraw/zinc/59/11/76/884591176.db2.gz DZTVYRDFKYCVMT-UHFFFAOYSA-N -2 0 387.454 3.872 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c(C)c1 ZINC000032585512 887421687 /nfs/dbraw/zinc/42/16/87/887421687.db2.gz ZZSXFSZXLRDCBZ-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cn2)cc1 ZINC000614831485 887818349 /nfs/dbraw/zinc/81/83/49/887818349.db2.gz DYJSJKORVMQLSY-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL COc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cccc1C(F)(F)F ZINC001184697427 913365453 /nfs/dbraw/zinc/36/54/53/913365453.db2.gz SBPUXGTVRCIPBT-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2cc(Cl)ccc2c1 ZINC001185877239 914171560 /nfs/dbraw/zinc/17/15/60/914171560.db2.gz GIINGBGBNFMXIZ-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)n(C3CCCCC3)n2)sc1C(=O)[O-] ZINC000569046024 898297076 /nfs/dbraw/zinc/29/70/76/898297076.db2.gz JHBXKILRCCEDRJ-UHFFFAOYSA-N -2 0 383.495 3.566 20 0 GHADRL Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C2CCCCC2)n1 ZINC000576195202 901790220 /nfs/dbraw/zinc/79/02/20/901790220.db2.gz CEOOEFBHVUBVHZ-UHFFFAOYSA-N -2 0 397.884 3.620 20 0 GHADRL COc1cc(Br)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1F ZINC001176244562 908003206 /nfs/dbraw/zinc/00/32/06/908003206.db2.gz MGTPWPHSOSUPAE-UHFFFAOYSA-N -2 0 384.157 3.737 20 0 GHADRL O=C([O-])/C=C/c1ccc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)cc1 ZINC001176596019 908173051 /nfs/dbraw/zinc/17/30/51/908173051.db2.gz ZYNCZQNIXJFLRP-FPYGCLRLSA-N -2 0 385.397 3.634 20 0 GHADRL O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)CO1 ZINC000901618587 921402774 /nfs/dbraw/zinc/40/27/74/921402774.db2.gz WEHLGOLVQURCFL-RQJHMYQMSA-N -2 0 382.627 3.561 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(Cl)c(Cl)c2)c1 ZINC001187548656 915345818 /nfs/dbraw/zinc/34/58/18/915345818.db2.gz UXONXVVNNDACIH-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2O)c1 ZINC001187581581 915374955 /nfs/dbraw/zinc/37/49/55/915374955.db2.gz JGNQLVWWJVZEER-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)ccc1Cl ZINC001188277041 915870282 /nfs/dbraw/zinc/87/02/82/915870282.db2.gz SBIHBKHKKGOJHO-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3c(Cl)ccnc23)cc1 ZINC001192142923 918476870 /nfs/dbraw/zinc/47/68/70/918476870.db2.gz WRJPQKOZYFLHKE-UHFFFAOYSA-N -2 0 390.848 3.706 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC001192142359 918476896 /nfs/dbraw/zinc/47/68/96/918476896.db2.gz MMFCUGYJDXTPLT-UHFFFAOYSA-N -2 0 387.379 3.832 20 0 GHADRL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(=O)[O-])c3)c2O1 ZINC000410055456 925279890 /nfs/dbraw/zinc/27/98/90/925279890.db2.gz RNAWZHKVOWIACW-UHFFFAOYSA-N -2 0 381.837 3.553 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)sc1Cl ZINC000410399619 925615658 /nfs/dbraw/zinc/61/56/58/925615658.db2.gz WFQSMDSYTRKFCT-UHFFFAOYSA-N -2 0 389.882 3.996 20 0 GHADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000681562407 925851094 /nfs/dbraw/zinc/85/10/94/925851094.db2.gz SUZXEVKMKXRAAH-UHFFFAOYSA-N -2 0 391.779 3.749 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1C(=O)[O-] ZINC000753775523 929530008 /nfs/dbraw/zinc/53/00/08/929530008.db2.gz MRGHVNOUIBZOAT-UHFFFAOYSA-N -2 0 392.408 3.898 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc(C(=O)[O-])c1F ZINC000758163216 929954925 /nfs/dbraw/zinc/95/49/25/929954925.db2.gz PIDTYBXDNZDNQK-UHFFFAOYSA-N -2 0 394.207 3.646 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NC3(C(=O)[O-])CCCCCC3)n2)c1 ZINC001603106104 972180287 /nfs/dbraw/zinc/18/02/87/972180287.db2.gz YRJPDGADNUKHPL-UHFFFAOYSA-N -2 0 385.464 3.609 20 0 GHADRL CC(C)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)s1 ZINC001592002818 976655173 /nfs/dbraw/zinc/65/51/73/976655173.db2.gz OPUYLLNDHHDEBZ-UHFFFAOYSA-N -2 0 378.834 3.558 20 0 GHADRL CCC1CCC(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])(C(=O)[O-])CC1 ZINC001595425152 981044552 /nfs/dbraw/zinc/04/45/52/981044552.db2.gz FVPRYPWUJFGLTD-UHFFFAOYSA-N -2 0 399.491 3.855 20 0 GHADRL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC001599811339 988339586 /nfs/dbraw/zinc/33/95/86/988339586.db2.gz OTGSVVACPUYBLR-CYBMUJFWSA-N -2 0 388.470 3.784 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1OC1CCCC1 ZINC001599598575 993781581 /nfs/dbraw/zinc/78/15/81/993781581.db2.gz BNNIVNXEXRHBLL-UHFFFAOYSA-N -2 0 397.474 3.577 20 0 GHADRL COc1cccc(-c2cc(C(=O)[N-]c3cccnc3SCCC(=O)[O-])on2)c1 ZINC001599639250 994334366 /nfs/dbraw/zinc/33/43/66/994334366.db2.gz LDZXUCWBJXDSQW-UHFFFAOYSA-N -2 0 399.428 3.564 20 0 GHADRL COc1c(Cl)cc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1Cl ZINC001599334545 997810873 /nfs/dbraw/zinc/81/08/73/997810873.db2.gz UAOLTCQTMLUMEK-UHFFFAOYSA-N -2 0 396.273 3.871 20 0 GHADRL CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000565767144 1019204887 /nfs/dbraw/zinc/20/48/87/1019204887.db2.gz KAZHLHDHVOBHBV-UHFFFAOYSA-N -2 0 383.491 3.952 20 0 GHADRL COc1ccc(Cl)c(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)c1 ZINC001216745603 1029916142 /nfs/dbraw/zinc/91/61/42/1029916142.db2.gz DXPXFIXZJBLJLG-UHFFFAOYSA-N -2 0 382.696 3.537 20 0 GHADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncnc3c(-c4ccccc4)nsc32)c1 ZINC001242160733 1035837650 /nfs/dbraw/zinc/83/76/50/1035837650.db2.gz PKCPBADZGJXDHI-UHFFFAOYSA-N -2 0 377.381 3.817 20 0 GHADRL COC(=O)c1ccc(C)c(-c2cccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)c1 ZINC001242165174 1035839930 /nfs/dbraw/zinc/83/99/30/1035839930.db2.gz VCGDIZBXUSUPOL-UHFFFAOYSA-N -2 0 391.379 3.907 20 0 GHADRL COc1c(C(=O)[O-])cccc1-c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)nc1 ZINC001242920023 1035997295 /nfs/dbraw/zinc/99/72/95/1035997295.db2.gz KPCMVKOPLCNVFN-UHFFFAOYSA-N -2 0 398.440 3.565 20 0 GHADRL O=P([O-])([O-])Oc1ccc(O[C@@H]2CCc3ccc(Br)cc32)cc1 ZINC001234332784 1039971751 /nfs/dbraw/zinc/97/17/51/1039971751.db2.gz SACJEXFUWFYEBS-OAHLLOKOSA-N -2 0 385.150 3.987 20 0 GHADRL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1c(F)cccc1F ZINC001259069147 1044945493 /nfs/dbraw/zinc/94/54/93/1044945493.db2.gz MNPNFKLGAHMBSJ-UHFFFAOYSA-N -2 0 380.235 3.817 20 0 GHADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)ccn1 ZINC001259213911 1045013470 /nfs/dbraw/zinc/01/34/70/1045013470.db2.gz SNPWIUWAVLUASG-UHFFFAOYSA-N -2 0 386.832 3.671 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c(F)cc1Cl ZINC001259219192 1045016623 /nfs/dbraw/zinc/01/66/23/1045016623.db2.gz UJPRNIURENBZRF-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)ccc1Cl ZINC001259219425 1045016690 /nfs/dbraw/zinc/01/66/90/1045016690.db2.gz ZQESGXKSFMQNAE-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc([O-])c(F)c(F)c3)s2)cs1 ZINC001259982941 1045340694 /nfs/dbraw/zinc/34/06/94/1045340694.db2.gz KUQBZLOYAKWCBM-UHFFFAOYSA-N -2 0 388.442 3.965 20 0 GHADRL COc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1-c1ccccc1 ZINC001260189652 1045405275 /nfs/dbraw/zinc/40/52/75/1045405275.db2.gz UEOVNSNXTXUNBQ-UHFFFAOYSA-N -2 0 383.425 3.861 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(-c3ccc(O)cc3)c2)c1 ZINC001260216524 1045417338 /nfs/dbraw/zinc/41/73/38/1045417338.db2.gz MGOOJRLTHPJSJS-UHFFFAOYSA-N -2 0 387.388 3.697 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)ccc2O)cc1 ZINC001260228905 1045421161 /nfs/dbraw/zinc/42/11/61/1045421161.db2.gz FNWFQCQRWNZYHJ-UHFFFAOYSA-N -2 0 375.446 3.939 20 0 GHADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)o1 ZINC000489751560 599974221 /nfs/dbraw/zinc/97/42/21/599974221.db2.gz LSSPFNTZOBPQPQ-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c2n[nH]cc21 ZINC000738632888 600052899 /nfs/dbraw/zinc/05/28/99/600052899.db2.gz OQTQGOUTSLCMTP-UHFFFAOYSA-N -2 0 387.442 3.585 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)sc1C(=O)[O-] ZINC000738363225 600054658 /nfs/dbraw/zinc/05/46/58/600054658.db2.gz FXGCABNUVBWTKK-UHFFFAOYSA-N -2 0 388.426 3.850 20 0 GHADRL Cc1ccc(/C=C\S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1 ZINC000738582965 600055175 /nfs/dbraw/zinc/05/51/75/600055175.db2.gz NIECMYHWGQEBOM-SREVYHEPSA-N -2 0 389.458 3.557 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C(C)(C)C)c1C(=O)[O-] ZINC000738743245 600055891 /nfs/dbraw/zinc/05/58/91/600055891.db2.gz BQGIUPPFHHYTTA-UHFFFAOYSA-N -2 0 393.509 3.743 20 0 GHADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738547710 600056282 /nfs/dbraw/zinc/05/62/82/600056282.db2.gz VSZARIUSJGMBAV-UHFFFAOYSA-N -2 0 390.461 3.501 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccc(Cl)cc2)c[nH]1 ZINC000509620349 600677552 /nfs/dbraw/zinc/67/75/52/600677552.db2.gz OLNWUHAMPBAOAE-UHFFFAOYSA-N -2 0 392.820 3.959 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1C(F)(F)F ZINC000832898926 600686871 /nfs/dbraw/zinc/68/68/71/600686871.db2.gz ZHOTWTBVOJCEOE-UHFFFAOYSA-N -2 0 395.305 3.791 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c2cccnc2c1C ZINC000832898135 600988140 /nfs/dbraw/zinc/98/81/40/600988140.db2.gz BPXWGSHFBOUPBW-UHFFFAOYSA-N -2 0 392.383 3.629 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(Cl)c1Cl ZINC000460820148 601046896 /nfs/dbraw/zinc/04/68/96/601046896.db2.gz MONYFPPVEHOFKK-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)c1 ZINC000740144329 601051253 /nfs/dbraw/zinc/05/12/53/601051253.db2.gz OOEFJPANUVHKNY-UHFFFAOYSA-N -2 0 397.399 3.785 20 0 GHADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000829373310 601201808 /nfs/dbraw/zinc/20/18/08/601201808.db2.gz QDYQPZQPRCOFMT-UHFFFAOYSA-N -2 0 385.873 3.534 20 0 GHADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(Br)c1 ZINC000126549074 601491098 /nfs/dbraw/zinc/49/10/98/601491098.db2.gz FVAOTHWCIJSXRT-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)cc1C(=O)[O-] ZINC000833029740 601491912 /nfs/dbraw/zinc/49/19/12/601491912.db2.gz LSIHGUSFGQWJEC-UHFFFAOYSA-N -2 0 394.630 3.503 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)c1C(=O)[O-] ZINC000832973195 601795309 /nfs/dbraw/zinc/79/53/09/601795309.db2.gz ZOPBGQFBGLODHK-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL O=C([O-])c1ccc(OCc2ccccc2)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000833323871 601987527 /nfs/dbraw/zinc/98/75/27/601987527.db2.gz MQJAFGXSWJTHNE-UHFFFAOYSA-N -2 0 389.454 3.826 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C(=O)[O-])s2)cs1 ZINC000480696301 602196477 /nfs/dbraw/zinc/19/64/77/602196477.db2.gz WMUXLPKXLYUBNS-UHFFFAOYSA-N -2 0 398.462 3.818 20 0 GHADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740002742 602501457 /nfs/dbraw/zinc/50/14/57/602501457.db2.gz UDSRBXDHNGQMGA-UHFFFAOYSA-N -2 0 399.428 3.554 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438788301 604990271 /nfs/dbraw/zinc/99/02/71/604990271.db2.gz FCWDWFPSIOHOPF-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C([O-])C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000834061304 606031412 /nfs/dbraw/zinc/03/14/12/606031412.db2.gz SPUIMTQPOPECCU-CQSZACIVSA-N -2 0 380.759 3.515 20 0 GHADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000564471765 844203320 /nfs/dbraw/zinc/20/33/20/844203320.db2.gz GGIPLGWNQYDQHQ-UHFFFAOYSA-N -2 0 377.853 3.649 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc(C(F)(F)F)c1 ZINC000052471844 844269061 /nfs/dbraw/zinc/26/90/61/844269061.db2.gz FTWUIXBHIRXJTR-UHFFFAOYSA-N -2 0 399.268 3.622 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc(Cl)c1Cl ZINC000067244187 844372054 /nfs/dbraw/zinc/37/20/54/844372054.db2.gz YLDYHJCCXCCAKG-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000471568470 839436276 /nfs/dbraw/zinc/43/62/76/839436276.db2.gz AACRTFWQOSOBQO-HNNXBMFYSA-N -2 0 399.472 3.608 20 0 GHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000471580284 839615110 /nfs/dbraw/zinc/61/51/10/839615110.db2.gz HLBVGLWEKRRAKT-HNNXBMFYSA-N -2 0 399.472 3.608 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)ccc1C(F)(F)F ZINC000684097534 840360553 /nfs/dbraw/zinc/36/05/53/840360553.db2.gz KENGMQQRQHPCCX-UHFFFAOYSA-N -2 0 395.380 3.583 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCCc2ccccc2)cc1 ZINC000512620657 844764723 /nfs/dbraw/zinc/76/47/23/844764723.db2.gz RWWHWVKAGANHRA-UHFFFAOYSA-N -2 0 397.452 3.807 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1sccc1Br ZINC000548529551 845366697 /nfs/dbraw/zinc/36/66/97/845366697.db2.gz GCZOAJNMFBQBAC-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)cs1 ZINC000504030805 849857866 /nfs/dbraw/zinc/85/78/66/849857866.db2.gz BCVALBQIVOXVCE-UHFFFAOYSA-N 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852431166 /nfs/dbraw/zinc/43/11/66/852431166.db2.gz RECRTUHSCUNKEF-UHFFFAOYSA-N -2 0 376.821 3.630 20 0 GHADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489772310 852576862 /nfs/dbraw/zinc/57/68/62/852576862.db2.gz QUDKOHMFKACXEX-UHFFFAOYSA-N -2 0 375.830 3.700 20 0 GHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000517973942 852666781 /nfs/dbraw/zinc/66/67/81/852666781.db2.gz NSYZJZHGSVKGTG-UHFFFAOYSA-N -2 0 389.807 3.781 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cs1 ZINC000507622474 853097060 /nfs/dbraw/zinc/09/70/60/853097060.db2.gz TVYLOTSTPACQPO-UHFFFAOYSA-N -2 0 390.414 3.794 20 0 GHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cs1 ZINC000437661789 853391808 /nfs/dbraw/zinc/39/18/08/853391808.db2.gz KHTGRLYBGQSWLP-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL CCc1ccc(S(=O)(=O)Nc2ccc(O[C@H](C)CC)cc2)cc1C(=O)[O-] ZINC000440814420 853635888 /nfs/dbraw/zinc/63/58/88/853635888.db2.gz DAXSOTDLNHBIGN-CYBMUJFWSA-N -2 0 377.462 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CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000756935959 1023875260 /nfs/dbraw/zinc/87/52/60/1023875260.db2.gz IYSNRDSQFFBNKY-SNVBAGLBSA-N -2 0 385.388 3.641 20 0 GHADRL COc1cc(Br)c(O)c(NC(=O)c2ccc3cccnc3c2O)c1 ZINC001149322713 1030131489 /nfs/dbraw/zinc/13/14/89/1030131489.db2.gz QHEKHPQEVOJOGQ-UHFFFAOYSA-N -2 0 389.205 3.669 20 0 GHADRL CCOC(=O)c1ncoc1-c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163270 1035839725 /nfs/dbraw/zinc/83/97/25/1035839725.db2.gz SQGGJJVRXLWKGO-UHFFFAOYSA-N -2 0 381.340 3.582 20 0 GHADRL O=S(=O)([N-]c1nc2ccccc2nc1-c1cccc(F)c1[O-])c1ccccc1 ZINC001242349523 1035891851 /nfs/dbraw/zinc/89/18/51/1035891851.db2.gz UEPAIMJSNZUOGI-UHFFFAOYSA-N -2 0 395.415 3.942 20 0 GHADRL O=C([O-])c1ccc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)cc1C(F)(F)F ZINC001243155185 1036048418 /nfs/dbraw/zinc/04/84/18/1036048418.db2.gz JGXGIUTYXHFKST-UHFFFAOYSA-N -2 0 380.200 3.578 20 0 GHADRL O=P([O-])([O-])Oc1ccc(O[C@H]2CCc3c2cccc3Br)cc1 ZINC001234332323 1039971725 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ZINC000736261791 599965867 /nfs/dbraw/zinc/96/58/67/599965867.db2.gz SCXZADHEQQRPGE-UHFFFAOYSA-N -2 0 394.474 3.977 20 0 GHADRL Cc1cc(C)c([C@@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1C ZINC000736744981 599987806 /nfs/dbraw/zinc/98/78/06/599987806.db2.gz GHXVFXOBSJJJSE-IBGZPJMESA-N -2 0 388.464 3.682 20 0 GHADRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(F)c(C)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736933034 599988298 /nfs/dbraw/zinc/98/82/98/599988298.db2.gz YTOYIRTZQRHTNX-GOSISDBHSA-N -2 0 392.427 3.594 20 0 GHADRL CCc1ccc([C@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cc1 ZINC000737260361 599992659 /nfs/dbraw/zinc/99/26/59/599992659.db2.gz JOQUFIUQMXZUNX-LJQANCHMSA-N -2 0 394.427 3.572 20 0 GHADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])sc2c1 ZINC000737210520 600051378 /nfs/dbraw/zinc/05/13/78/600051378.db2.gz KUVXNNSJCDNMPA-UHFFFAOYSA-N -2 0 392.458 3.502 20 0 GHADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000740281102 600053547 /nfs/dbraw/zinc/05/35/47/600053547.db2.gz PFJFKCCMZVPFOA-UHFFFAOYSA-N -2 0 389.454 3.725 20 0 GHADRL CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)sc2C1 ZINC000736975965 600055619 /nfs/dbraw/zinc/05/56/19/600055619.db2.gz WCOWLHZUBKQLRS-VIFPVBQESA-N -2 0 386.520 3.609 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC(F)F)c1 ZINC000740155847 600237861 /nfs/dbraw/zinc/23/78/61/600237861.db2.gz XLUCCKCLTYUIMQ-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL CCC1=C(C(=O)[O-])[C@H](c2cc(C)ccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736933074 600253944 /nfs/dbraw/zinc/25/39/44/600253944.db2.gz ZZEBVSQWWQGRQN-SFHVURJKSA-N -2 0 392.427 3.594 20 0 GHADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c1Cl ZINC000738605606 600302797 /nfs/dbraw/zinc/30/27/97/600302797.db2.gz VYGVNJUSBYYCOM-UHFFFAOYSA-N -2 0 389.260 3.870 20 0 GHADRL C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000736708725 600612616 /nfs/dbraw/zinc/61/26/16/600612616.db2.gz LKBJBYMUPSHIDW-CYBMUJFWSA-N -2 0 387.413 3.919 20 0 GHADRL 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LJMJATALVMBRHU-UHFFFAOYSA-N -2 0 390.244 3.891 20 0 GHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000684896095 847439098 /nfs/dbraw/zinc/43/90/98/847439098.db2.gz YFASSAJUMIWLEM-UHFFFAOYSA-N -2 0 384.457 3.751 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)c1 ZINC000504045858 849853769 /nfs/dbraw/zinc/85/37/69/849853769.db2.gz XVPAFVNFWGHPSO-UHFFFAOYSA-N -2 0 383.781 3.502 20 0 GHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cscc2C(F)F)cc1 ZINC000899919229 862183066 /nfs/dbraw/zinc/18/30/66/862183066.db2.gz HIBOHQXIZHEARO-UHFFFAOYSA-N -2 0 375.418 3.849 20 0 GHADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000434626790 851382704 /nfs/dbraw/zinc/38/27/04/851382704.db2.gz LDYYEZCIQWWUKH-UHFFFAOYSA-N -2 0 377.462 3.520 20 0 GHADRL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000436721086 852244589 /nfs/dbraw/zinc/24/45/89/852244589.db2.gz LIHFXQGJVDJJTN-UHFFFAOYSA-N -2 0 382.178 3.982 20 0 GHADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000032630228 852624175 /nfs/dbraw/zinc/62/41/75/852624175.db2.gz UUTWVKKQGPGLDZ-UHFFFAOYSA-N -2 0 393.461 3.682 20 0 GHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1)C(=O)[O-] ZINC000507632840 853128620 /nfs/dbraw/zinc/12/86/20/853128620.db2.gz BSMJZCIFYZUEQT-LBPRGKRZSA-N -2 0 388.470 3.601 20 0 GHADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000439063731 853255010 /nfs/dbraw/zinc/25/50/10/853255010.db2.gz BFQBFJSHPLKRBY-UHFFFAOYSA-N -2 0 389.882 3.754 20 0 GHADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000481974174 862566458 /nfs/dbraw/zinc/56/64/58/862566458.db2.gz NXJRNJHQRCMISU-UHFFFAOYSA-N -2 0 397.399 3.584 20 0 GHADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058494259 856903193 /nfs/dbraw/zinc/90/31/93/856903193.db2.gz MZYQECNNEVSKEB-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000499502394 857015460 /nfs/dbraw/zinc/01/54/60/857015460.db2.gz KALVBKHZHOSVNA-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)s1 ZINC000486107048 857436063 /nfs/dbraw/zinc/43/60/63/857436063.db2.gz HLRPFIJIEXFORA-UHFFFAOYSA-N -2 0 396.534 3.757 20 0 GHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC000521604936 858150945 /nfs/dbraw/zinc/15/09/45/858150945.db2.gz WRMKASZGJVOHAI-UHFFFAOYSA-N -2 0 381.413 3.524 20 0 GHADRL O=C([O-])c1ccc(-c2ccc(C(F)(F)F)cc2CO)cc1C1(C(=O)[O-])CC1 ZINC000657207313 858281116 /nfs/dbraw/zinc/28/11/16/858281116.db2.gz JFTHLACQGUCLRS-UHFFFAOYSA-N -2 0 380.318 3.679 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1C1CC1 ZINC000536498891 859608632 /nfs/dbraw/zinc/60/86/32/859608632.db2.gz YQHNRCBWNMXZBS-GFCCVEGCSA-N -2 0 391.493 3.847 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)cc(C(=O)[O-])c1C ZINC000484192270 859873576 /nfs/dbraw/zinc/87/35/76/859873576.db2.gz PEODHWNCRCLGGV-UHFFFAOYSA-N -2 0 381.425 3.729 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1C(F)(F)F ZINC000120320878 881532414 /nfs/dbraw/zinc/53/24/14/881532414.db2.gz UXHQKYVOKZNOOU-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)cc1 ZINC000325115476 863340726 /nfs/dbraw/zinc/34/07/26/863340726.db2.gz MDONSEMBWBELKH-UHFFFAOYSA-N -2 0 377.365 3.798 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1C(=O)[O-] ZINC000607103357 864071286 /nfs/dbraw/zinc/07/12/86/864071286.db2.gz QANGPOWEQDCHIF-UHFFFAOYSA-N -2 0 393.436 3.730 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1C ZINC000480217623 864279506 /nfs/dbraw/zinc/27/95/06/864279506.db2.gz BVICVGGWYJLYDE-SECBINFHSA-N -2 0 385.873 3.623 20 0 GHADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1Cl ZINC000614790294 866388650 /nfs/dbraw/zinc/38/86/50/866388650.db2.gz GNPIEMPTGBMHTE-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2sccc2Br)c(C(=O)[O-])cc1C ZINC000478715356 866524564 /nfs/dbraw/zinc/52/45/64/866524564.db2.gz YIVAFSPHHDALMM-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cccc1C(=O)[O-] ZINC000479196112 867309875 /nfs/dbraw/zinc/30/98/75/867309875.db2.gz RMHDIPPRFVDVTD-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1C(=O)[O-] ZINC000479259178 867443995 /nfs/dbraw/zinc/44/39/95/867443995.db2.gz DLMDEGNLBYIKAE-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL Cn1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3Cl)ccc21 ZINC001192429849 870359360 /nfs/dbraw/zinc/35/93/60/870359360.db2.gz YCJFEPUUKLSLKJ-UHFFFAOYSA-N -2 0 399.255 3.984 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2C2CC2)c(Cl)cc1Cl ZINC001192407947 870376331 /nfs/dbraw/zinc/37/63/31/870376331.db2.gz STDXJQXAPUYQJD-UHFFFAOYSA-N -2 0 387.244 3.765 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc3c(s2)CCCC3)cc1C(=O)[O-] ZINC001192615760 870551978 /nfs/dbraw/zinc/55/19/78/870551978.db2.gz VQPXVUKOKOSCIZ-UHFFFAOYSA-N -2 0 381.475 3.525 20 0 GHADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)on1 ZINC001193972813 871411157 /nfs/dbraw/zinc/41/11/57/871411157.db2.gz HATWKBADFGDSSN-QMMMGPOBSA-N -2 0 390.820 3.870 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000462080804 871585188 /nfs/dbraw/zinc/58/51/88/871585188.db2.gz PAARWIHFKXQVIJ-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195238901 872306081 /nfs/dbraw/zinc/30/60/81/872306081.db2.gz VAEGZUGPPDJWMN-UHFFFAOYSA-N -2 0 383.416 3.897 20 0 GHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2csc(Cl)c2)c1 ZINC001196016990 872817707 /nfs/dbraw/zinc/81/77/07/872817707.db2.gz JUONSQGPRSUEHC-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196065605 872837047 /nfs/dbraw/zinc/83/70/47/872837047.db2.gz BQFJWTLVZHCTJY-UHFFFAOYSA-N -2 0 383.425 3.861 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc2)c1 ZINC001196066788 872838714 /nfs/dbraw/zinc/83/87/14/872838714.db2.gz QTKGBEZYJMEMBW-UHFFFAOYSA-N -2 0 397.408 3.581 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000527284289 872898955 /nfs/dbraw/zinc/89/89/55/872898955.db2.gz SMJICGHFZXPVJR-LLVKDONJSA-N -2 0 397.884 3.623 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC001198770260 874623671 /nfs/dbraw/zinc/62/36/71/874623671.db2.gz BWDOYUCPTIUGNT-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(=O)[O-])cs3)cc2)s1 ZINC000542235474 875198411 /nfs/dbraw/zinc/19/84/11/875198411.db2.gz KGLPVVDJPLLHNZ-UHFFFAOYSA-N -2 0 394.499 3.603 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1F ZINC000475742313 882981172 /nfs/dbraw/zinc/98/11/72/882981172.db2.gz OFQZYZRBRXKIKW-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776502767 877288290 /nfs/dbraw/zinc/28/82/90/877288290.db2.gz IAWPHQINXWCQPB-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)cc1C(=O)[O-] ZINC000776535880 877854948 /nfs/dbraw/zinc/85/49/48/877854948.db2.gz AWNNMDZYOJPLCD-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2ccc(C)nc21 ZINC000531249005 879425397 /nfs/dbraw/zinc/42/53/97/879425397.db2.gz VUSQSRAKBGVAMX-UHFFFAOYSA-N -2 0 388.470 3.764 20 0 GHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1)C(=O)[O-] ZINC000461346021 879615453 /nfs/dbraw/zinc/61/54/53/879615453.db2.gz FTSKOGDGSRCWKU-SECBINFHSA-N -2 0 393.408 3.831 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1C(C)C ZINC000790421719 879703165 /nfs/dbraw/zinc/70/31/65/879703165.db2.gz OWSKHWWHIYKLRL-UHFFFAOYSA-N -2 0 397.472 3.753 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531489438 879956098 /nfs/dbraw/zinc/95/60/98/879956098.db2.gz ZDYCURIOQVLBOZ-UHFFFAOYSA-N -2 0 375.402 3.721 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3Cl)no2)cc1C(=O)[O-] ZINC001184664722 913354002 /nfs/dbraw/zinc/35/40/02/913354002.db2.gz SCFKZTDGUHXEDS-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000574348434 900854390 /nfs/dbraw/zinc/85/43/90/900854390.db2.gz JAIRQKHRJAMFSA-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1ccccc1Oc1ccccc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926475 904260578 /nfs/dbraw/zinc/26/05/78/904260578.db2.gz NNIRYWBNHXRIGU-UHFFFAOYSA-N -2 0 399.424 3.992 20 0 GHADRL O=C(NN=c1[n-]nc(-c2ccccn2)s1)c1cc(Cl)c2ccccc2c1[O-] ZINC000188219970 904894060 /nfs/dbraw/zinc/89/40/60/904894060.db2.gz ZULBSEVTOJWIJI-UHFFFAOYSA-N -2 0 397.847 3.869 20 0 GHADRL O=C([O-])c1cc(Nc2ccc3nnc(-c4ccc(F)cc4)n3c2)cc(C(=O)[O-])c1 ZINC001176238947 908000456 /nfs/dbraw/zinc/00/04/56/908000456.db2.gz VQXYVJNTHSDHFZ-UHFFFAOYSA-N -2 0 392.346 3.675 20 0 GHADRL COC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Cl)cc1Cl ZINC001176244073 908002890 /nfs/dbraw/zinc/00/28/90/908002890.db2.gz GSCKPRUGNOJIKN-UHFFFAOYSA-N -2 0 384.171 3.920 20 0 GHADRL O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000740728738 909195865 /nfs/dbraw/zinc/19/58/65/909195865.db2.gz GFQMKZFGBFHETB-GWCFXTLKSA-N -2 0 387.263 3.694 20 0 GHADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1F ZINC000795365677 910065962 /nfs/dbraw/zinc/06/59/62/910065962.db2.gz AGNSLVZEQNLHRA-UHFFFAOYSA-N -2 0 375.780 3.680 20 0 GHADRL COc1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)ccc2c1 ZINC000795365264 910067137 /nfs/dbraw/zinc/06/71/37/910067137.db2.gz CPSPVWSHSSDJTM-UHFFFAOYSA-N -2 0 393.367 3.626 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cnc1Cl ZINC000097575803 915705240 /nfs/dbraw/zinc/70/52/40/915705240.db2.gz DLWKNKJPTXWWNN-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL O=C(N[C@@H](c1ccccc1)C1CCCC1)c1ccccc1OP(=O)([O-])[O-] ZINC001189899394 916996276 /nfs/dbraw/zinc/99/62/76/916996276.db2.gz POIUWJHWIPCOJF-SFHVURJKSA-N -2 0 375.361 3.819 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ncccc2Oc2ccccc2)cc1 ZINC001192106419 918412040 /nfs/dbraw/zinc/41/20/40/918412040.db2.gz FBKCSCWTTKJGRI-UHFFFAOYSA-N -2 0 398.440 3.692 20 0 GHADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000013262495 919320825 /nfs/dbraw/zinc/32/08/25/919320825.db2.gz PABOQVBKZANRKN-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc(C(=O)[O-])c1C ZINC000677234781 924294635 /nfs/dbraw/zinc/29/46/35/924294635.db2.gz KPNCQCIVFLHBRW-UHFFFAOYSA-N -2 0 382.441 3.864 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1 ZINC000677234921 924294726 /nfs/dbraw/zinc/29/47/26/924294726.db2.gz UERMUFBSGZIPQI-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000682896231 926291174 /nfs/dbraw/zinc/29/11/74/926291174.db2.gz KABPYVFQSCOXKN-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1F ZINC000751557398 928248944 /nfs/dbraw/zinc/24/89/44/928248944.db2.gz GGGBNPWZQNKJNM-UHFFFAOYSA-N -2 0 375.780 3.680 20 0 GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000544685250 929442720 /nfs/dbraw/zinc/44/27/20/929442720.db2.gz YZHLFXYXDPRERR-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1Cl ZINC000753770232 929527039 /nfs/dbraw/zinc/52/70/39/929527039.db2.gz OOLDTBOMZJMAIA-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c(F)c1 ZINC000327192018 971376297 /nfs/dbraw/zinc/37/62/97/971376297.db2.gz AZPDLNNEZLKFEA-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000327605899 971411742 /nfs/dbraw/zinc/41/17/42/971411742.db2.gz JHHQMMIXMFSJRG-UHFFFAOYSA-N -2 0 381.475 3.877 20 0 GHADRL C[C@@H](C(=O)[O-])C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC001602806681 971591270 /nfs/dbraw/zinc/59/12/70/971591270.db2.gz SMLXVWONDAAPDZ-MRVPVSSYSA-N -2 0 397.214 3.611 20 0 GHADRL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000013078396 956929824 /nfs/dbraw/zinc/92/98/24/956929824.db2.gz JOXDFJQUFNTNOW-UHFFFAOYSA-N -2 0 399.268 3.622 20 0 GHADRL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000013267998 957003495 /nfs/dbraw/zinc/00/34/95/957003495.db2.gz LLUPOLARMUUYMS-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)s1 ZINC000390264710 972272353 /nfs/dbraw/zinc/27/23/53/972272353.db2.gz ITXRHJXRBIENJG-UHFFFAOYSA-N -2 0 383.781 3.502 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1C ZINC001597137668 986877689 /nfs/dbraw/zinc/87/76/89/986877689.db2.gz QFGXWYFGTLZOKO-UHFFFAOYSA-N -2 0 393.461 3.680 20 0 GHADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC001597604653 988482979 /nfs/dbraw/zinc/48/29/79/988482979.db2.gz RQESRGLYQLMHNF-UHFFFAOYSA-N -2 0 379.416 3.708 20 0 GHADRL CC(C)(C)c1nc(NC(=O)c2c([O-])cnc3c(F)cccc32)sc1C(=O)[O-] ZINC001590545173 990179614 /nfs/dbraw/zinc/17/96/14/990179614.db2.gz TYPDNGSWKVRSJD-UHFFFAOYSA-N 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O=P([O-])([O-])c1ccc(-c2ccc(Br)cc2OC(F)(F)F)cc1 ZINC001244556017 1036544876 /nfs/dbraw/zinc/54/48/76/1036544876.db2.gz XHBGTIPGNGUYPD-UHFFFAOYSA-N -2 0 397.083 3.818 20 0 GHADRL Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001237760152 1042357397 /nfs/dbraw/zinc/35/73/97/1042357397.db2.gz KAYWWXTWXDWICE-UHFFFAOYSA-N -2 0 395.651 3.728 20 0 GHADRL Cc1c(F)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000548266748 1043959411 /nfs/dbraw/zinc/95/94/11/1043959411.db2.gz FAEVCJJAVUMMJH-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)[n-]1 ZINC001257765948 1044156034 /nfs/dbraw/zinc/15/60/34/1044156034.db2.gz UDBQATLRHRKTBW-UHFFFAOYSA-N -2 0 384.244 3.686 20 0 GHADRL O=S(=O)([N-]c1ccc2[n-]c(=S)sc2c1)c1ccc(F)c(F)c1F ZINC001259079277 1044951326 /nfs/dbraw/zinc/95/13/26/1044951326.db2.gz JROBCOLQWIMWPE-UHFFFAOYSA-N -2 0 376.406 3.803 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)no2)c(F)cc1Cl ZINC001259212277 1045012385 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20 0 GHADRL COC(=O)c1c(C)csc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869354 1045727003 /nfs/dbraw/zinc/72/70/03/1045727003.db2.gz NCJFEUDOWBSUSL-UHFFFAOYSA-N -2 0 396.273 3.656 20 0 GHADRL O=S(=O)([N-]c1snc2cccnc21)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260871526 1045727980 /nfs/dbraw/zinc/72/79/80/1045727980.db2.gz QCYZSQAUPQJZQD-UHFFFAOYSA-N -2 0 376.246 3.505 20 0 GHADRL COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1[S-] ZINC001261060283 1045880442 /nfs/dbraw/zinc/88/04/42/1045880442.db2.gz WBXLLHIFXVXGMN-UHFFFAOYSA-N -2 0 398.314 3.931 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000589873091 599738314 /nfs/dbraw/zinc/73/83/14/599738314.db2.gz ALPUMRJMCILBHG-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)cc1 ZINC000589874699 599738489 /nfs/dbraw/zinc/73/84/89/599738489.db2.gz MPBFTZHGQCRXSZ-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL CCc1ccc([C@@H]2NC(=O)N(c3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])s1 ZINC000737260713 599904572 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398.415 3.626 20 0 GHADRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(C)c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736930909 600017465 /nfs/dbraw/zinc/01/74/65/600017465.db2.gz ARIHKTRXAGHXPF-GOSISDBHSA-N -2 0 392.427 3.594 20 0 GHADRL Cc1cc2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)nc2c(C)c1 ZINC000018994586 600050749 /nfs/dbraw/zinc/05/07/49/600050749.db2.gz KVYDONGJLZKWER-UHFFFAOYSA-N -2 0 376.459 3.721 20 0 GHADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)nc21 ZINC000738347580 600054383 /nfs/dbraw/zinc/05/43/83/600054383.db2.gz OJEQGNOGLGQDLR-UHFFFAOYSA-N -2 0 376.459 3.721 20 0 GHADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(C(C)(C)C)n1 ZINC000736294225 600055493 /nfs/dbraw/zinc/05/54/93/600055493.db2.gz LIXYNEZSXGDITO-UHFFFAOYSA-N -2 0 397.472 3.574 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)cn2)cc1 ZINC000738690214 600103722 /nfs/dbraw/zinc/10/37/22/600103722.db2.gz SWOYKAADVSJFNV-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncccc2OCC2CCCCC2)c1 ZINC000740235997 600104361 /nfs/dbraw/zinc/10/43/61/600104361.db2.gz ZKOVXLWKPRUOKK-UHFFFAOYSA-N -2 0 390.461 3.540 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)c1 ZINC000604738236 600210942 /nfs/dbraw/zinc/21/09/42/600210942.db2.gz QUTDFIYPHVYRBR-UHFFFAOYSA-N -2 0 381.475 3.959 20 0 GHADRL Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2)c1 ZINC000738716859 600237359 /nfs/dbraw/zinc/23/73/59/600237359.db2.gz FMIQKYRXFWFZKP-UHFFFAOYSA-N -2 0 387.413 3.666 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1NC(=O)C(C)(C)C ZINC000738632571 600237400 /nfs/dbraw/zinc/23/74/00/600237400.db2.gz HYXBJKRKECUOIY-UHFFFAOYSA-N -2 0 396.490 3.540 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCCCC(=O)[O-])cc1 ZINC000738295007 600274871 /nfs/dbraw/zinc/27/48/71/600274871.db2.gz HYXNQIHJKWXHCL-UHFFFAOYSA-N -2 0 383.853 3.693 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(ccc4c3CCCC4)s2)s1 ZINC000740187111 600361793 /nfs/dbraw/zinc/36/17/93/600361793.db2.gz WVFVHBVFLNADEG-UHFFFAOYSA-N -2 0 394.499 3.736 20 0 GHADRL CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000736294323 600465260 /nfs/dbraw/zinc/46/52/60/600465260.db2.gz NLGGYXHBBXTWLF-LBPRGKRZSA-N -2 0 375.446 3.941 20 0 GHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC000738017263 600488200 /nfs/dbraw/zinc/48/82/00/600488200.db2.gz WCZDNWJMONJCAC-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000740289741 600546362 /nfs/dbraw/zinc/54/63/62/600546362.db2.gz MWOXJVMKWLELID-UHFFFAOYSA-N -2 0 381.475 3.706 20 0 GHADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738477080 600637827 /nfs/dbraw/zinc/63/78/27/600637827.db2.gz JAQFPLWXBAVYRS-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000484952395 600891176 /nfs/dbraw/zinc/89/11/76/600891176.db2.gz ADJKWSIMQQXOFZ-UHFFFAOYSA-N -2 0 386.429 3.521 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cn2)ccc1C(=O)[O-] ZINC000832904550 600981478 /nfs/dbraw/zinc/98/14/78/600981478.db2.gz RQHHDGWDKRTJQR-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000392131610 601321668 /nfs/dbraw/zinc/32/16/68/601321668.db2.gz AJNLCXIKKZDQLH-UHFFFAOYSA-N -2 0 390.244 3.639 20 0 GHADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000392162327 601323397 /nfs/dbraw/zinc/32/33/97/601323397.db2.gz SUVDBLXMUQJOKV-UHFFFAOYSA-N -2 0 390.244 3.639 20 0 GHADRL Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000476425898 601334996 /nfs/dbraw/zinc/33/49/96/601334996.db2.gz KJBOLVVGRARVTI-UHFFFAOYSA-N -2 0 383.491 3.871 20 0 GHADRL Cc1nc(NC(=O)c2cc(Br)cc(Cl)c2[O-])sc1C(=O)[O-] ZINC000833001987 601383248 /nfs/dbraw/zinc/38/32/48/601383248.db2.gz HDXZQSGQRWLTPJ-UHFFFAOYSA-N -2 0 391.630 3.524 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)c1 ZINC000126546903 601491155 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Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c1C(=O)[O-] ZINC000832973170 602170628 /nfs/dbraw/zinc/17/06/28/602170628.db2.gz XVNAVESSOPLAHA-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c1 ZINC000833296918 602170640 /nfs/dbraw/zinc/17/06/40/602170640.db2.gz DZAPAKUQUZZAQD-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(F)cc2Cl)NC(=O)N1CCCCCC(=O)[O-] ZINC000828135000 604668172 /nfs/dbraw/zinc/66/81/72/604668172.db2.gz LVFJIMMOYZKHQO-MRXNPFEDSA-N -2 0 398.818 3.549 20 0 GHADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000828580534 604806694 /nfs/dbraw/zinc/80/66/94/604806694.db2.gz MBYACWLZPKRFCD-UHFFFAOYSA-N -2 0 389.454 3.993 20 0 GHADRL C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000825832242 605355003 /nfs/dbraw/zinc/35/50/03/605355003.db2.gz RNLXNDHNFVLOPO-WFASDCNBSA-N -2 0 388.851 3.973 20 0 GHADRL O=C([O-])CC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000834058892 606049501 /nfs/dbraw/zinc/04/95/01/606049501.db2.gz FWHDYXOWXUTULX-HNNXBMFYSA-N -2 0 376.796 3.766 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1-n1cccc1C(=O)[O-] ZINC000110138564 844260408 /nfs/dbraw/zinc/26/04/08/844260408.db2.gz WAEFGRCBXZSMFA-UHFFFAOYSA-N -2 0 392.383 3.563 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C1CC1 ZINC000535687261 844308335 /nfs/dbraw/zinc/30/83/35/844308335.db2.gz XATWNYRDWRULLE-NSHDSACASA-N -2 0 377.466 3.539 20 0 GHADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccccc2SC(F)F)c1 ZINC000328312124 839541798 /nfs/dbraw/zinc/54/17/98/839541798.db2.gz LRYITKDQIJRPOT-UHFFFAOYSA-N -2 0 395.355 3.779 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000601710746 842995490 /nfs/dbraw/zinc/99/54/90/842995490.db2.gz WASCGZBTOYPNJO-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL CCc1ccc([N-]S(=O)(=O)c2ccccc2Br)c(C(=O)[O-])c1 ZINC000139329062 845106691 /nfs/dbraw/zinc/10/66/91/845106691.db2.gz BAPBBVRDRXEDCQ-UHFFFAOYSA-N -2 0 384.251 3.511 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)c1 ZINC000512767716 845445714 /nfs/dbraw/zinc/44/57/14/845445714.db2.gz TTWRSYNYRHBNRV-UHFFFAOYSA-N -2 0 391.342 3.960 20 0 GHADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000731339039 861570213 /nfs/dbraw/zinc/57/02/13/861570213.db2.gz MNOADSTUZKTGPP-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000326870621 846251443 /nfs/dbraw/zinc/25/14/43/846251443.db2.gz YVVDBBVUJNAXPQ-UHFFFAOYSA-N -2 0 383.853 3.874 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1C(=O)[O-] ZINC000435476062 850578472 /nfs/dbraw/zinc/57/84/72/850578472.db2.gz AMCVAXHVLMOUBA-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489737659 852560767 /nfs/dbraw/zinc/56/07/67/852560767.db2.gz CMORLPPTFUWPID-UHFFFAOYSA-N -2 0 383.853 3.764 20 0 GHADRL Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000437658629 853387632 /nfs/dbraw/zinc/38/76/32/853387632.db2.gz GHYOHSSKWZTEEP-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL COc1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)ccc1OCCC(=O)[O-] ZINC000439279344 853504515 /nfs/dbraw/zinc/50/45/15/853504515.db2.gz YDBIJPQUBQWYAR-SOFGYWHQSA-N -2 0 383.356 3.559 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)sc1C(=O)[O-] ZINC000518650802 853610346 /nfs/dbraw/zinc/61/03/46/853610346.db2.gz SOLDMYHNMQEWFA-UHFFFAOYSA-N -2 0 379.459 3.538 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cnn1C(CC)CC ZINC000572185666 854436267 /nfs/dbraw/zinc/43/62/67/854436267.db2.gz BOXDHGHDKKUZTF-UHFFFAOYSA-N -2 0 385.511 3.676 20 0 GHADRL O=C([O-])c1ccc(Oc2ccccc2)c([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000485049473 856046444 /nfs/dbraw/zinc/04/64/44/856046444.db2.gz LWSCOKAIPLAPQB-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc12 ZINC000592429666 856868829 /nfs/dbraw/zinc/86/88/29/856868829.db2.gz NWZZPOMPNOJAKD-UHFFFAOYSA-N -2 0 385.228 3.974 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000675092927 857003130 /nfs/dbraw/zinc/00/31/30/857003130.db2.gz ZGVLRHCVTMFHFC-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)sc1C(=O)[O-] ZINC000057119680 857147684 /nfs/dbraw/zinc/14/76/84/857147684.db2.gz AIDBSADLCTYFBA-UHFFFAOYSA-N -2 0 392.458 3.827 20 0 GHADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000166575154 857977203 /nfs/dbraw/zinc/97/72/03/857977203.db2.gz MIZFNINVTUORNL-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL CCc1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cc1F ZINC000443463598 858766112 /nfs/dbraw/zinc/76/61/12/858766112.db2.gz SYLWBZQKGPNAJR-UHFFFAOYSA-N -2 0 387.816 3.549 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1)C(=O)[O-] ZINC000509382155 859239280 /nfs/dbraw/zinc/23/92/80/859239280.db2.gz ARAAGBHEBXDROP-OAHLLOKOSA-N -2 0 384.457 3.689 20 0 GHADRL C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(F)(F)F ZINC000673492037 859569078 /nfs/dbraw/zinc/56/90/78/859569078.db2.gz GSLDPMMPBWVVJW-MRVPVSSYSA-N -2 0 395.380 3.577 20 0 GHADRL CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000327346513 859818701 /nfs/dbraw/zinc/81/87/01/859818701.db2.gz CUALBNXJKKENNC-UHFFFAOYSA-N -2 0 383.853 3.936 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3C)s2)cs1 ZINC000161390912 859924417 /nfs/dbraw/zinc/92/44/17/859924417.db2.gz XYVDNRIDGSAMFE-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1C(F)(F)F ZINC000120312934 881521163 /nfs/dbraw/zinc/52/11/63/881521163.db2.gz TWFWLBJJIDTPPE-UHFFFAOYSA-N -2 0 399.268 3.622 20 0 GHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000480194623 864220473 /nfs/dbraw/zinc/22/04/73/864220473.db2.gz LCAXDIZPCNKISL-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1C ZINC000480223882 864294969 /nfs/dbraw/zinc/29/49/69/864294969.db2.gz KVCDFEBIAKZEOX-VIFPVBQESA-N -2 0 385.873 3.623 20 0 GHADRL CSc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000479198103 867313398 /nfs/dbraw/zinc/31/33/98/867313398.db2.gz IMKSHVCUMAPOCR-UHFFFAOYSA-N -2 0 381.475 3.695 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)c1F ZINC000766325849 869331652 /nfs/dbraw/zinc/33/16/52/869331652.db2.gz FCTOOYZCDWUQAV-UHFFFAOYSA-N -2 0 397.472 3.609 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1 ZINC000745978410 869923183 /nfs/dbraw/zinc/92/31/83/869923183.db2.gz WTMBFPHNRQXZSH-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000446636332 870125635 /nfs/dbraw/zinc/12/56/35/870125635.db2.gz DCNANHMQTQHYNI-UHFFFAOYSA-N -2 0 397.518 3.734 20 0 GHADRL CCC(CC)Oc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192726892 870618710 /nfs/dbraw/zinc/61/87/10/870618710.db2.gz JXLBIVFZCRWQHO-UHFFFAOYSA-N -2 0 393.461 3.518 20 0 GHADRL Cc1ccc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)cccc2n1 ZINC001194011890 871431365 /nfs/dbraw/zinc/43/13/65/871431365.db2.gz OOSHJSTXOMZGON-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL CCC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC001194011632 871431754 /nfs/dbraw/zinc/43/17/54/871431754.db2.gz IZOVHSKTHLVEJQ-UHFFFAOYSA-N -2 0 385.800 3.571 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000462106740 871604502 /nfs/dbraw/zinc/60/45/02/871604502.db2.gz YYEUMTCFFOESPA-UHFFFAOYSA-N -2 0 391.779 3.516 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2ccncc2)c(F)cc1F ZINC001195237855 872305541 /nfs/dbraw/zinc/30/55/41/872305541.db2.gz KZHRRDAEYIYJNN-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463799299 872653042 /nfs/dbraw/zinc/65/30/42/872653042.db2.gz NSKBDEMHCGAQRO-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)sc1C ZINC001196060342 872833863 /nfs/dbraw/zinc/83/38/63/872833863.db2.gz CFXQGBGLJAIVJA-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL C=Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC001196046563 872854639 /nfs/dbraw/zinc/85/46/39/872854639.db2.gz GIUGFFDVHCXVJX-UHFFFAOYSA-N -2 0 382.235 3.591 20 0 GHADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)on1 ZINC001196068468 872859357 /nfs/dbraw/zinc/85/93/57/872859357.db2.gz RTDQDRJBUYGHBB-UHFFFAOYSA-N -2 0 386.429 3.964 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c(Cl)cc1F ZINC000541793866 874286080 /nfs/dbraw/zinc/28/60/80/874286080.db2.gz KIIWIENEKANOFM-LLVKDONJSA-N -2 0 385.844 3.852 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC2CCCC2)ccc1F ZINC000769834550 874315364 /nfs/dbraw/zinc/31/53/64/874315364.db2.gz QOFUMMJWQRNGFB-UHFFFAOYSA-N -2 0 397.399 3.785 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2cc(C(F)(F)F)ccc2c1 ZINC001198747004 874595250 /nfs/dbraw/zinc/59/52/50/874595250.db2.gz QFUPWAJXDKLROP-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c(F)cc1F ZINC000475739677 882948884 /nfs/dbraw/zinc/94/88/84/882948884.db2.gz NSKVMLXVEJRVJY-UHFFFAOYSA-N -2 0 375.780 3.734 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000491610777 875849155 /nfs/dbraw/zinc/84/91/55/875849155.db2.gz UOJAFEAQKLKEGQ-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)c2O1 ZINC000788759210 878295186 /nfs/dbraw/zinc/29/51/86/878295186.db2.gz BAQZBAHVRCQVAM-UHFFFAOYSA-N -2 0 399.827 3.692 20 0 GHADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)c2O1 ZINC000788763221 878301459 /nfs/dbraw/zinc/30/14/59/878301459.db2.gz USPRBDCCUSYENC-UHFFFAOYSA-N -2 0 381.837 3.553 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000790382598 879654866 /nfs/dbraw/zinc/65/48/66/879654866.db2.gz XLSDGTJHAPIBOM-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1F ZINC000790397350 879712301 /nfs/dbraw/zinc/71/23/01/879712301.db2.gz CULZXJWFJVMAEC-UHFFFAOYSA-N -2 0 387.816 3.549 20 0 GHADRL CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)c1 ZINC000551113938 883302300 /nfs/dbraw/zinc/30/23/00/883302300.db2.gz NDKAYHWEHVBOBV-UHFFFAOYSA-N -2 0 383.853 3.800 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)c(SCCC(=O)[O-])c1 ZINC000460443630 886035414 /nfs/dbraw/zinc/03/54/14/886035414.db2.gz LYRQOCGFGXMKFU-UHFFFAOYSA-N -2 0 383.466 3.810 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1C1CC1 ZINC000556799680 886193906 /nfs/dbraw/zinc/19/39/06/886193906.db2.gz KCPWFLPQQMXXKS-LBPRGKRZSA-N -2 0 377.466 3.539 20 0 GHADRL O=S(=O)([N-][C@@H]1[CH]CC=C1)c1c(Cl)sc(Cl)c1Br ZINC001184584540 913301474 /nfs/dbraw/zinc/30/14/74/913301474.db2.gz OIRLZPAAYGRHFM-YFKPBYRVSA-N -2 0 376.104 3.628 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)nn1C1CCCCC1 ZINC000811718240 889916901 /nfs/dbraw/zinc/91/69/01/889916901.db2.gz CVOYVPYKLWOXIS-UHFFFAOYSA-N -2 0 395.456 3.643 20 0 GHADRL O=Cc1cccc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)s2)c1 ZINC000874972022 892393127 /nfs/dbraw/zinc/39/31/27/892393127.db2.gz JCNKZJUMWJABAR-UHFFFAOYSA-N -2 0 387.438 3.727 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc3ccccc3s2)c(S(=O)(=O)[O-])c1 ZINC001185462451 913887217 /nfs/dbraw/zinc/88/72/17/913887217.db2.gz DJDAGXAZXULNCT-UHFFFAOYSA-N -2 0 397.499 3.566 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000564781233 895244563 /nfs/dbraw/zinc/24/45/63/895244563.db2.gz URLVLIDPYRIYAB-UHFFFAOYSA-N -2 0 391.342 3.960 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c(Cl)c1 ZINC000565325737 895534420 /nfs/dbraw/zinc/53/44/20/895534420.db2.gz NPMQWYABECQVIJ-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)snc1-c1ccccc1 ZINC001185878804 914172570 /nfs/dbraw/zinc/17/25/70/914172570.db2.gz DZEFFXXCNIUAHF-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc3ccccc3c(C(=O)[O-])c2)cn1 ZINC000629295485 906686276 /nfs/dbraw/zinc/68/62/76/906686276.db2.gz PYPKSFRGYMEBAF-LBPRGKRZSA-N -2 0 385.445 3.506 20 0 GHADRL COc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Br)cc1C ZINC001176241524 908000169 /nfs/dbraw/zinc/00/01/69/908000169.db2.gz KAHPPRUSNWWVJK-UHFFFAOYSA-N -2 0 380.194 3.906 20 0 GHADRL O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000740728740 909195154 /nfs/dbraw/zinc/19/51/54/909195154.db2.gz GFQMKZFGBFHETB-MFKMUULPSA-N -2 0 387.263 3.694 20 0 GHADRL CC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187582556 915376455 /nfs/dbraw/zinc/37/64/55/915376455.db2.gz UBRDZIVXMDVOTF-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL Cc1ccnc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)ccc12 ZINC001187582104 915377183 /nfs/dbraw/zinc/37/71/83/915377183.db2.gz PWNXEQGWUMUPOI-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1nc2c(F)cccc2cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188282924 915874207 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O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccc(Br)s2)ccc1F ZINC000740013209 600101606 /nfs/dbraw/zinc/10/16/06/600101606.db2.gz ZJTSEZQTOPDWLW-UHFFFAOYSA-N -2 0 395.231 3.540 20 0 GHADRL O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000740144474 600104343 /nfs/dbraw/zinc/10/43/43/600104343.db2.gz PDBYJNDBFUJYRV-UHFFFAOYSA-N -2 0 398.843 3.578 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)c1 ZINC000740145060 600106059 /nfs/dbraw/zinc/10/60/59/600106059.db2.gz WCACWKZIVFMKKG-UHFFFAOYSA-N -2 0 392.452 3.705 20 0 GHADRL CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736969924 600241845 /nfs/dbraw/zinc/24/18/45/600241845.db2.gz JGBOQDDSYCIAGS-SFHVURJKSA-N -2 0 395.521 3.718 20 0 GHADRL CN(Cc1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1)C(=O)[O-] ZINC000737485236 600331122 /nfs/dbraw/zinc/33/11/22/600331122.db2.gz DFZHUZWJTSZIMG-UHFFFAOYSA-N -2 0 379.210 3.517 20 0 GHADRL CC(C)c1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000736511833 600510995 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GHADRL Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)cc1C(=O)[O-] ZINC000832956716 600828466 /nfs/dbraw/zinc/82/84/66/600828466.db2.gz WRYGQGLZXRPAOY-UHFFFAOYSA-N -2 0 388.470 3.541 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c1C(=O)[O-] ZINC000393066596 600867937 /nfs/dbraw/zinc/86/79/37/600867937.db2.gz WNUKSZWZKZNTPZ-UHFFFAOYSA-N -2 0 377.340 3.723 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnccc2Oc2ccccc2)ccc1C(=O)[O-] ZINC000832904539 600978825 /nfs/dbraw/zinc/97/88/25/600978825.db2.gz QZUQQKMHHWQKMR-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000387217588 600982600 /nfs/dbraw/zinc/98/26/00/600982600.db2.gz MIRMJMRCDJHYCY-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c(Cl)c1 ZINC000489738278 601050866 /nfs/dbraw/zinc/05/08/66/601050866.db2.gz BRRQPSSZHQYOES-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)sc1C(=O)[O-] ZINC000833002839 601229808 /nfs/dbraw/zinc/22/98/08/601229808.db2.gz HOAGPUSOIKSKOX-UHFFFAOYSA-N -2 0 388.879 3.819 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000833029391 601231482 /nfs/dbraw/zinc/23/14/82/601231482.db2.gz HZQBNUFDUYWNIO-UHFFFAOYSA-N -2 0 383.731 3.759 20 0 GHADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000833345105 601384531 /nfs/dbraw/zinc/38/45/31/601384531.db2.gz PMAWTZODBSGLHN-UHFFFAOYSA-N -2 0 396.852 3.555 20 0 GHADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000321115892 601770728 /nfs/dbraw/zinc/77/07/28/601770728.db2.gz GYHJCIDXWVHIIY-UHFFFAOYSA-N -2 0 395.289 3.658 20 0 GHADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000032798058 601827347 /nfs/dbraw/zinc/82/73/47/601827347.db2.gz AXBWXGWYRXTXDA-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000833345340 601829407 /nfs/dbraw/zinc/82/94/07/601829407.db2.gz VKOLZCDIIRBYQL-UHFFFAOYSA-N -2 0 394.808 3.549 20 0 GHADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000122145204 601830669 /nfs/dbraw/zinc/83/06/69/601830669.db2.gz AUKFFBRFFCTOTK-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000726931242 601839413 /nfs/dbraw/zinc/83/94/13/601839413.db2.gz VDZKNKFVSVQAGY-VIFPVBQESA-N -2 0 387.816 3.686 20 0 GHADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000833346657 602156555 /nfs/dbraw/zinc/15/65/55/602156555.db2.gz MZEIKXFANDWLGL-UHFFFAOYSA-N -2 0 387.653 3.602 20 0 GHADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000761891750 602315526 /nfs/dbraw/zinc/31/55/26/602315526.db2.gz LQLZJYJUTIGAFZ-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1C(=O)[O-] ZINC000833030156 604793148 /nfs/dbraw/zinc/79/31/48/604793148.db2.gz SGFHCHHJPARYNA-UHFFFAOYSA-N -2 0 394.630 3.503 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000584150972 835698605 /nfs/dbraw/zinc/69/86/05/835698605.db2.gz LMGUAQWADYSARB-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000471967962 844145166 /nfs/dbraw/zinc/14/51/66/844145166.db2.gz DGEIOOOATRLNMK-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000122144874 838479672 /nfs/dbraw/zinc/47/96/72/838479672.db2.gz OWWXUOQRILIPIS-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)sc1C(=O)[O-] ZINC000544099157 838520387 /nfs/dbraw/zinc/52/03/87/838520387.db2.gz UQKFUZALEHZGKC-UHFFFAOYSA-N -2 0 391.417 3.621 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000511709499 840539815 /nfs/dbraw/zinc/53/98/15/840539815.db2.gz AZHJAOCWBWGYDU-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL CCCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC000432054727 840568797 /nfs/dbraw/zinc/56/87/97/840568797.db2.gz MSPJKUIHTGGWKF-UHFFFAOYSA-N -2 0 399.472 3.632 20 0 GHADRL O=C([O-])C/C(=C/c1ccc(OC(F)(F)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000730730056 861246882 /nfs/dbraw/zinc/24/68/82/861246882.db2.gz SAGGFSPLHBHGFZ-XFXZXTDPSA-N -2 0 389.310 3.899 20 0 GHADRL CCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1C1CC1 ZINC000581707621 842071969 /nfs/dbraw/zinc/07/19/69/842071969.db2.gz KRTADLDGHSWMLS-UHFFFAOYSA-N -2 0 397.884 3.631 20 0 GHADRL O=C([O-])c1cc(F)cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1F ZINC000548549858 845488368 /nfs/dbraw/zinc/48/83/68/845488368.db2.gz RAZANLVGJVVLNA-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000504529553 850123322 /nfs/dbraw/zinc/12/33/22/850123322.db2.gz GFGBKHVWGRHYGF-UHFFFAOYSA-N -2 0 391.470 3.728 20 0 GHADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000509566393 852970794 /nfs/dbraw/zinc/97/07/94/852970794.db2.gz FBYOUZDXIFTVET-UHFFFAOYSA-N -2 0 399.472 3.554 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)sc1C(=O)[O-] ZINC000427324185 852983304 /nfs/dbraw/zinc/98/33/04/852983304.db2.gz ZNFDMPVBSLILKZ-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c1 ZINC000440831994 853663771 /nfs/dbraw/zinc/66/37/71/853663771.db2.gz ODXZAAYUXPDLTR-UHFFFAOYSA-N -2 0 384.413 3.635 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)cc1C(=O)[O-] ZINC000589938533 855192514 /nfs/dbraw/zinc/19/25/14/855192514.db2.gz JPVNYCNJAIAVEL-UHFFFAOYSA-N -2 0 393.461 3.619 20 0 GHADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1C ZINC000542947796 857047851 /nfs/dbraw/zinc/04/78/51/857047851.db2.gz MBWLXBJJFWDFBO-CYBMUJFWSA-N -2 0 393.509 3.516 20 0 GHADRL CC(C)CCn1ncc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C(C)C ZINC000486088258 857412726 /nfs/dbraw/zinc/41/27/26/857412726.db2.gz ONMDCOOEHIBIGA-UHFFFAOYSA-N -2 0 397.472 3.691 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(Cl)c1 ZINC000160371798 858851470 /nfs/dbraw/zinc/85/14/70/858851470.db2.gz VFKNSBVUDOALBU-UHFFFAOYSA-N -2 0 394.630 3.503 20 0 GHADRL C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC000443531768 858897718 /nfs/dbraw/zinc/89/77/18/858897718.db2.gz QWBVNMQIHKHDOV-AWEZNQCLSA-N -2 0 399.472 3.697 20 0 GHADRL Cc1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1OCCC(C)C ZINC000738637759 859483403 /nfs/dbraw/zinc/48/34/03/859483403.db2.gz ZHVSWBGDFLRGHB-UHFFFAOYSA-N -2 0 377.462 3.919 20 0 GHADRL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000498488039 859613981 /nfs/dbraw/zinc/61/39/81/859613981.db2.gz PPKMWWDZDPIQEG-UHFFFAOYSA-N -2 0 385.388 3.641 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)CC)c1 ZINC000484971064 860558958 /nfs/dbraw/zinc/55/89/58/860558958.db2.gz HNDOSYPMVOSJSX-UHFFFAOYSA-N -2 0 391.445 3.567 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000484969527 860559393 /nfs/dbraw/zinc/55/93/93/860559393.db2.gz KAJYWRAXHPZEAX-UHFFFAOYSA-N -2 0 387.816 3.767 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000484978767 860568255 /nfs/dbraw/zinc/56/82/55/860568255.db2.gz GGZGIUUKUOGWNN-UHFFFAOYSA-N -2 0 375.855 3.688 20 0 GHADRL COc1cc(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)ccc1OCC(=O)[O-] ZINC000766007346 860761402 /nfs/dbraw/zinc/76/14/02/860761402.db2.gz LPFIVDVRVQZFIN-KXFIGUGUSA-N -2 0 379.368 3.575 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000509088452 860940804 /nfs/dbraw/zinc/94/08/04/860940804.db2.gz CGYSKPAQEOHDPC-UHFFFAOYSA-N -2 0 386.429 3.521 20 0 GHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000324373961 863322093 /nfs/dbraw/zinc/32/20/93/863322093.db2.gz LKSXNKMKQRHXFD-UHFFFAOYSA-N -2 0 389.882 3.998 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1C(CC)CC ZINC000480219776 864285460 /nfs/dbraw/zinc/28/54/60/864285460.db2.gz DBSODTKLRDUBNQ-UHFFFAOYSA-N -2 0 379.482 3.614 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1Cl ZINC000479196793 867312360 /nfs/dbraw/zinc/31/23/60/867312360.db2.gz STTIUURITSMUOF-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000479274494 867500923 /nfs/dbraw/zinc/50/09/23/867500923.db2.gz AFHYUNMQTCSQLM-UHFFFAOYSA-N -2 0 391.779 3.749 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)c(F)c1 ZINC000743258977 867996869 /nfs/dbraw/zinc/99/68/69/867996869.db2.gz PQADTNWHTIYGOF-UHFFFAOYSA-N -2 0 398.843 3.578 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)cc1C(=O)[O-] ZINC000479569181 868022551 /nfs/dbraw/zinc/02/25/51/868022551.db2.gz RRVHJKAVGQMHGF-UHFFFAOYSA-N -2 0 393.461 3.587 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nn1C1CCCCC1 ZINC000793442283 882186748 /nfs/dbraw/zinc/18/67/48/882186748.db2.gz GAOYPHLOLABNPX-UHFFFAOYSA-N -2 0 395.456 3.643 20 0 GHADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000446635092 870122791 /nfs/dbraw/zinc/12/27/91/870122791.db2.gz RWUJYOXZNOYYHJ-UHFFFAOYSA-N -2 0 397.522 3.632 20 0 GHADRL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)ccc1C(=O)[O-] ZINC000446648550 870173547 /nfs/dbraw/zinc/17/35/47/870173547.db2.gz OTPTUJGDPBPJSP-UHFFFAOYSA-N -2 0 397.474 3.551 20 0 GHADRL CC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192408155 870377516 /nfs/dbraw/zinc/37/75/16/870377516.db2.gz XMOKEUFXBYAECG-UHFFFAOYSA-N -2 0 394.257 3.757 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)c(Cl)cc1Cl ZINC001192407852 870378094 /nfs/dbraw/zinc/37/80/94/870378094.db2.gz RCRSUQBYONZHLQ-UHFFFAOYSA-N -2 0 399.614 3.680 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1)C(=O)[O-] ZINC000447111538 871002873 /nfs/dbraw/zinc/00/28/73/871002873.db2.gz DZAOHAZSQPQEBH-CYBMUJFWSA-N -2 0 397.880 3.803 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])sc1Br ZINC000149472975 871175835 /nfs/dbraw/zinc/17/58/35/871175835.db2.gz WZYVLCXMZKDSMM-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1C(=O)[O-] ZINC000462101185 871595215 /nfs/dbraw/zinc/59/52/15/871595215.db2.gz KVLDQJAEAHPEIV-UHFFFAOYSA-N -2 0 389.351 3.527 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)ccc1Cl ZINC000766895249 872063235 /nfs/dbraw/zinc/06/32/35/872063235.db2.gz CAXJVGVQNCZXGQ-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195236188 872244995 /nfs/dbraw/zinc/24/49/95/872244995.db2.gz MYOLWNRWMGXQFH-UHFFFAOYSA-N -2 0 375.780 3.734 20 0 GHADRL CC(C)Cn1cnc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1 ZINC001196076252 872865546 /nfs/dbraw/zinc/86/55/46/872865546.db2.gz MYYFELDDFMKZCI-UHFFFAOYSA-N -2 0 399.472 3.705 20 0 GHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000541083388 872885662 /nfs/dbraw/zinc/88/56/62/872885662.db2.gz LDPHWENBIDRVSF-UHFFFAOYSA-N -2 0 386.429 3.550 20 0 GHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)c2n1 ZINC000542004604 874713451 /nfs/dbraw/zinc/71/34/51/874713451.db2.gz KDLXKVMREZGKRI-UHFFFAOYSA-N -2 0 398.484 3.896 20 0 GHADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000776483755 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Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nc2ccccc12 ZINC001187545128 915342618 /nfs/dbraw/zinc/34/26/18/915342618.db2.gz FLJQPGXKVKGWRS-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)ccc2n1 ZINC001187579055 915373855 /nfs/dbraw/zinc/37/38/55/915373855.db2.gz LHGJPPVKJAMFMC-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1cncc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)c12 ZINC001187580948 915374748 /nfs/dbraw/zinc/37/47/48/915374748.db2.gz GIYZIKXQWKPPRA-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cc(O)ccc32)c1 ZINC001187581524 915375458 /nfs/dbraw/zinc/37/54/58/915375458.db2.gz KNMBZCJOOZWSFR-UHFFFAOYSA-N -2 0 377.805 3.698 20 0 GHADRL Cc1cc(CC(C)C)ncc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188282778 915873150 /nfs/dbraw/zinc/87/31/50/915873150.db2.gz VPUGLLLVMQFXPX-UHFFFAOYSA-N -2 0 382.869 3.741 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1Cl ZINC000410397628 925618084 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CC(C)CCOC(=O)[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1ccccc1 ZINC001234332262 1039971938 /nfs/dbraw/zinc/97/19/38/1039971938.db2.gz NPABRQCJPPVAEW-SFHVURJKSA-N -2 0 394.360 3.868 20 0 GHADRL O=P([O-])([O-])Oc1ccc(O[C@@H]2CCc3cc(Br)ccc32)cc1 ZINC001234339570 1039975597 /nfs/dbraw/zinc/97/55/97/1039975597.db2.gz PNNWQTFRBULDIU-OAHLLOKOSA-N -2 0 385.150 3.987 20 0 GHADRL CC1(C)CCNc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)ccc21 ZINC001237970717 1042441076 /nfs/dbraw/zinc/44/10/76/1042441076.db2.gz FPFMZZBVTVYFKU-UHFFFAOYSA-N -2 0 394.880 3.932 20 0 GHADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c2ccccc21 ZINC001256796070 1043656776 /nfs/dbraw/zinc/65/67/76/1043656776.db2.gz PWFJPILGVNEJFX-UHFFFAOYSA-N -2 0 397.861 3.541 20 0 GHADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)on1 ZINC001259213231 1045014016 /nfs/dbraw/zinc/01/40/16/1045014016.db2.gz YCHZUBKEQDNISW-MRVPVSSYSA-N -2 0 390.820 3.870 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c(F)cc1Cl ZINC001259221099 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0 397.884 3.849 20 0 GHADRL O=C([O-])/C(=C\c1cc(Br)c([O-])c(Br)c1)c1ccncc1 ZINC000739491031 599831546 /nfs/dbraw/zinc/83/15/46/599831546.db2.gz UWMPKZXQUVZFOJ-YHYXMXQVSA-N -2 0 399.038 3.937 20 0 GHADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1Cl ZINC000489067082 599852112 /nfs/dbraw/zinc/85/21/12/599852112.db2.gz MHFLZRVCRXBXDU-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1Cl ZINC000737889486 599885955 /nfs/dbraw/zinc/88/59/55/599885955.db2.gz RDCQHSRKQIIMAD-UHFFFAOYSA-N -2 0 382.246 3.563 20 0 GHADRL Cc1cc(C)c([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])c(C)c1 ZINC000736744781 599987896 /nfs/dbraw/zinc/98/78/96/599987896.db2.gz DJHIKPUHPZUICD-LJQANCHMSA-N -2 0 388.464 3.682 20 0 GHADRL CCC1=C(C(=O)[O-])[C@@H](c2cc(C)cc(C)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736931670 599989080 /nfs/dbraw/zinc/98/90/80/599989080.db2.gz HSQZDXNXAHBWFV-LJQANCHMSA-N -2 0 388.464 3.763 20 0 GHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000391127545 600005326 /nfs/dbraw/zinc/00/53/26/600005326.db2.gz MARUEKWMHIXZQP-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)sc1-c1ccccc1 ZINC000738347222 600055779 /nfs/dbraw/zinc/05/57/79/600055779.db2.gz GUKGIGGNNPHFRF-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000738347493 600103698 /nfs/dbraw/zinc/10/36/98/600103698.db2.gz NIZRHJPKYAJYGT-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL CC(C)[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736354332 600203162 /nfs/dbraw/zinc/20/31/62/600203162.db2.gz WLDGVPXQVRKKRF-SFHVURJKSA-N -2 0 395.521 3.573 20 0 GHADRL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738464207 600233863 /nfs/dbraw/zinc/23/38/63/600233863.db2.gz DBCXJCPZLVNECO-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(OC(F)F)c1 ZINC000740154563 600237787 /nfs/dbraw/zinc/23/77/87/600237787.db2.gz GGRWEGWIDCOZRR-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(OC(F)F)c1 ZINC000740154617 600237900 /nfs/dbraw/zinc/23/79/00/600237900.db2.gz INNMSDKREUUPEP-UHFFFAOYSA-N -2 0 393.367 3.940 20 0 GHADRL CN(Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1)C(=O)[O-] ZINC000737485686 600299506 /nfs/dbraw/zinc/29/95/06/600299506.db2.gz BCPVOVLOSDBNFN-UHFFFAOYSA-N -2 0 389.260 3.904 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccccc2Oc2ccncc2)c1C(=O)[O-] ZINC000738969016 600424191 /nfs/dbraw/zinc/42/41/91/600424191.db2.gz GMGLDXZFQKPFFR-UHFFFAOYSA-N -2 0 388.401 3.583 20 0 GHADRL O=C([O-])CCCOc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000739686937 600506482 /nfs/dbraw/zinc/50/64/82/600506482.db2.gz HBBNSMUDTXXIAG-UHFFFAOYSA-N -2 0 394.221 3.651 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2OC(C)C)cc1C(=O)[O-] ZINC000605292052 600545257 /nfs/dbraw/zinc/54/52/57/600545257.db2.gz AYEYOTPCDHRXPS-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2)oc1C ZINC000511261582 600676238 /nfs/dbraw/zinc/67/62/38/600676238.db2.gz XHUSBTISZRGKDX-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CSC3CCCC3)c2)o1 ZINC000740187068 600694763 /nfs/dbraw/zinc/69/47/63/600694763.db2.gz FDCSPIHHGKWANU-UHFFFAOYSA-N -2 0 381.475 3.954 20 0 GHADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000740136773 600694784 /nfs/dbraw/zinc/69/47/84/600694784.db2.gz XPXBWGJWIDYAJH-UHFFFAOYSA-N -2 0 399.827 3.767 20 0 GHADRL O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833143918 600928578 /nfs/dbraw/zinc/92/85/78/600928578.db2.gz IFKGPFUOMZRAIN-UHFFFAOYSA-N -2 0 384.438 3.959 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)ccc1C(=O)[O-] ZINC000832904655 600976640 /nfs/dbraw/zinc/97/66/40/600976640.db2.gz XCZPAGAAVDIYON-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829527632 601325095 /nfs/dbraw/zinc/32/50/95/601325095.db2.gz INQAPYNQIXNGOV-YRNVUSSQSA-N -2 0 375.446 3.682 20 0 GHADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000826905768 601326075 /nfs/dbraw/zinc/32/60/75/601326075.db2.gz SHEYOAZHBIHMHI-XFXZXTDPSA-N -2 0 375.446 3.620 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(-c3ccccc3)nc3ccccn32)s1 ZINC000833323608 601770464 /nfs/dbraw/zinc/77/04/64/601770464.db2.gz RMMBITPTHWSHLL-UHFFFAOYSA-N -2 0 399.453 3.562 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnccc1-c1cccc(F)c1 ZINC000832918730 601795129 /nfs/dbraw/zinc/79/51/29/601795129.db2.gz OOGSQKRHAZLKLM-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000829532501 601859855 /nfs/dbraw/zinc/85/98/55/601859855.db2.gz OFPRXUDJSSYZDV-UHFFFAOYSA-N -2 0 387.816 3.767 20 0 GHADRL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833060141 601964801 /nfs/dbraw/zinc/96/48/01/601964801.db2.gz SDWIWLMOJMMAAE-UHFFFAOYSA-N -2 0 397.884 3.620 20 0 GHADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC000827112412 601979207 /nfs/dbraw/zinc/97/92/07/601979207.db2.gz HOQXYXKSJDUHMJ-HXUWFJFHSA-N -2 0 393.443 3.599 20 0 GHADRL O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000738630281 601987015 /nfs/dbraw/zinc/98/70/15/601987015.db2.gz KEPNWUKSAUPEKO-UHFFFAOYSA-N -2 0 391.392 3.726 20 0 GHADRL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)ccc2C)n1 ZINC000832987959 601989529 /nfs/dbraw/zinc/98/95/29/601989529.db2.gz PEGHGFJTPAKCIJ-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000832998126 602119776 /nfs/dbraw/zinc/11/97/76/602119776.db2.gz FHCFTSGJYHQRII-RMKNXTFCSA-N -2 0 380.491 3.549 20 0 GHADRL C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000825238688 604297423 /nfs/dbraw/zinc/29/74/23/604297423.db2.gz ZWYDFLNFUZNEQV-VXGBXAGGSA-N -2 0 376.840 3.707 20 0 GHADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(F)cc1OC1CCCC1 ZINC000833348166 604399936 /nfs/dbraw/zinc/39/99/36/604399936.db2.gz OGZGCGFQTDTQPO-UHFFFAOYSA-N -2 0 385.438 3.708 20 0 GHADRL Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833753152 604686140 /nfs/dbraw/zinc/68/61/40/604686140.db2.gz GOQMGVZAHVHHRF-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833447691 605118573 /nfs/dbraw/zinc/11/85/73/605118573.db2.gz ORBDKRNVSNUAHG-UHFFFAOYSA-N -2 0 385.388 3.641 20 0 GHADRL O=C([O-])NCC1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000832589308 605555119 /nfs/dbraw/zinc/55/51/19/605555119.db2.gz JTTXODDDZNBZQQ-UHFFFAOYSA-N -2 0 388.851 3.832 20 0 GHADRL O=C([O-])C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000834061302 606031394 /nfs/dbraw/zinc/03/13/94/606031394.db2.gz SPUIMTQPOPECCU-AWEZNQCLSA-N -2 0 380.759 3.515 20 0 GHADRL O=C([O-])Nc1cccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)c1 ZINC000834261284 606061230 /nfs/dbraw/zinc/06/12/30/606061230.db2.gz BCRXPUUEZVXLAQ-UHFFFAOYSA-N -2 0 376.415 3.681 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473405006 844322849 /nfs/dbraw/zinc/32/28/49/844322849.db2.gz XYXZRRRVRCWWEN-UHFFFAOYSA-N -2 0 377.896 3.931 20 0 GHADRL COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000066813729 839075456 /nfs/dbraw/zinc/07/54/56/839075456.db2.gz JDSOWQXKKKIOSQ-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000548260256 842321110 /nfs/dbraw/zinc/32/11/10/842321110.db2.gz VHWJFZYYCUBDAS-UHFFFAOYSA-N -2 0 387.816 3.518 20 0 GHADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000512775391 845487029 /nfs/dbraw/zinc/48/70/29/845487029.db2.gz UWUXWRSEPNKBEU-UHFFFAOYSA-N -2 0 388.401 3.583 20 0 GHADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000684895702 847435736 /nfs/dbraw/zinc/43/57/36/847435736.db2.gz KEETXPNGFZFGEL-UHFFFAOYSA-N -2 0 383.853 3.557 20 0 GHADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000327411281 849057960 /nfs/dbraw/zinc/05/79/60/849057960.db2.gz XDNZVNRANJGNGL-UHFFFAOYSA-N -2 0 387.816 3.767 20 0 GHADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000278217408 849696999 /nfs/dbraw/zinc/69/69/99/849696999.db2.gz WWCJLFKEYCBKQS-UHFFFAOYSA-N -2 0 393.437 3.514 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000505123028 850622592 /nfs/dbraw/zinc/62/25/92/850622592.db2.gz FMLMTGCZZXNNDS-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cc(Cl)c([O-])cc2F)n1 ZINC000436773504 852306537 /nfs/dbraw/zinc/30/65/37/852306537.db2.gz PLZGHMNXRHFOJV-UHFFFAOYSA-N -2 0 379.750 3.776 20 0 GHADRL Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(C(=O)[O-])c(F)c2F)cc1Cl ZINC001212514275 862343069 /nfs/dbraw/zinc/34/30/69/862343069.db2.gz LGMWCLBESQYIMV-UHFFFAOYSA-N -2 0 377.752 3.615 20 0 GHADRL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1n[n-]c2ccccc2c1=O ZINC000156590348 853882055 /nfs/dbraw/zinc/88/20/55/853882055.db2.gz OHGJHJAAJNJNIB-UHFFFAOYSA-N -2 0 384.606 3.841 20 0 GHADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000481959802 862553612 /nfs/dbraw/zinc/55/36/12/862553612.db2.gz WETCAUNZWUVIEG-UHFFFAOYSA-N -2 0 391.779 3.749 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)sc1C(=O)[O-] ZINC000055568065 855348467 /nfs/dbraw/zinc/34/84/67/855348467.db2.gz SGMWLVAXTYANII-UHFFFAOYSA-N -2 0 395.458 3.597 20 0 GHADRL O=C([O-])CCOc1ccc(/C=C\c2nc(C(=O)[O-])c(Br)s2)cc1 ZINC000486009444 857330216 /nfs/dbraw/zinc/33/02/16/857330216.db2.gz UVCBHSFBSHOWTK-UTCJRWHESA-N -2 0 398.234 3.628 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)sc1C(=O)[O-] ZINC000066813920 857374672 /nfs/dbraw/zinc/37/46/72/857374672.db2.gz DNWVIKOZIHKRTK-NSHDSACASA-N -2 0 396.515 3.950 20 0 GHADRL Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486072347 857406794 /nfs/dbraw/zinc/40/67/94/857406794.db2.gz VTASUAJIYZMSJL-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)cc2O1 ZINC000442843676 858162051 /nfs/dbraw/zinc/16/20/51/858162051.db2.gz DNKVAAKMMKSEMJ-GOSISDBHSA-N -2 0 395.408 3.531 20 0 GHADRL Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000509387921 859271492 /nfs/dbraw/zinc/27/14/92/859271492.db2.gz OXGPMOOAEKHNIE-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000507579429 859830343 /nfs/dbraw/zinc/83/03/43/859830343.db2.gz LAALFNXLQSREAE-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1C(F)(F)F ZINC000120315407 881529847 /nfs/dbraw/zinc/52/98/47/881529847.db2.gz RHANREIENGAVAS-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL CSc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000509088850 860937248 /nfs/dbraw/zinc/93/72/48/860937248.db2.gz GDGVYHAUCIVPBJ-UHFFFAOYSA-N -2 0 381.475 3.695 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000742231488 867146460 /nfs/dbraw/zinc/14/64/60/867146460.db2.gz WYNCGSSXFSFQSN-ZHACJKMWSA-N -2 0 379.409 3.644 20 0 GHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1C(=O)[O-] ZINC000479232846 867417548 /nfs/dbraw/zinc/41/75/48/867417548.db2.gz AKTRJLOYSHQMMF-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1C(F)(F)F ZINC000534973114 867854236 /nfs/dbraw/zinc/85/42/36/867854236.db2.gz ANOMXFNTHLXKQJ-UHFFFAOYSA-N -2 0 392.380 3.538 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COc2ccccc2)c1 ZINC000746055558 869985092 /nfs/dbraw/zinc/98/50/92/869985092.db2.gz TZTSKKQKGOYDBD-UHFFFAOYSA-N -2 0 387.413 3.666 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3c(Cl)cccc3c2)c(F)cc1F ZINC001195201099 872253155 /nfs/dbraw/zinc/25/31/55/872253155.db2.gz ADMKAHAGWVRLMK-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL Cc1cccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)c12 ZINC001195246215 872276193 /nfs/dbraw/zinc/27/61/93/872276193.db2.gz YMGGSUBRVDTCDU-UHFFFAOYSA-N -2 0 377.368 3.925 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)cc1)C(=O)[O-] ZINC000463778856 872556550 /nfs/dbraw/zinc/55/65/50/872556550.db2.gz PIZMBGBQNMJTQJ-MRXNPFEDSA-N -2 0 398.484 3.997 20 0 GHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)c1 ZINC001196044096 872853389 /nfs/dbraw/zinc/85/33/89/872853389.db2.gz GBHGREMBJJCCIJ-UHFFFAOYSA-N -2 0 396.222 3.545 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cccn4nccc34)cc2)c1 ZINC001196076431 872866093 /nfs/dbraw/zinc/86/60/93/872866093.db2.gz UHJHEHXDBOUJRH-UHFFFAOYSA-N -2 0 393.424 3.500 20 0 GHADRL COc1cccc(CS(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2[O-])c1 ZINC001197386065 873756377 /nfs/dbraw/zinc/75/63/77/873756377.db2.gz UUUJTODHIZQLJZ-UHFFFAOYSA-N -2 0 376.261 3.958 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000192153857 882812328 /nfs/dbraw/zinc/81/23/28/882812328.db2.gz CTSUSMIEICNCPY-UHFFFAOYSA-N -2 0 399.472 3.803 20 0 GHADRL CC(C)(C)[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)cc1 ZINC001198233493 874301459 /nfs/dbraw/zinc/30/14/59/874301459.db2.gz MEMWXDQEBLQPGQ-HNNXBMFYSA-N -2 0 382.869 3.750 20 0 GHADRL CCc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(O)c1Cl ZINC001198782108 874605019 /nfs/dbraw/zinc/60/50/19/874605019.db2.gz BYROGWBFAZLSGA-UHFFFAOYSA-N -2 0 390.244 3.760 20 0 GHADRL COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)ccc1OCCC(=O)[O-] ZINC000460782945 878556681 /nfs/dbraw/zinc/55/66/81/878556681.db2.gz CIMQEUJSSXVHBI-GXDHUFHOSA-N -2 0 397.383 3.705 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1C(=O)[O-] ZINC000460839038 878649729 /nfs/dbraw/zinc/64/97/29/878649729.db2.gz ULRWHWHDYSIRTP-UHFFFAOYSA-N -2 0 389.351 3.543 20 0 GHADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1F ZINC000790335821 879637292 /nfs/dbraw/zinc/63/72/92/879637292.db2.gz KLZLEYAODRKEHU-UHFFFAOYSA-N -2 0 399.268 3.622 20 0 GHADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cs1 ZINC000475823963 884326265 /nfs/dbraw/zinc/32/62/65/884326265.db2.gz BCFVEIQZXNOIRS-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL CSc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2s1 ZINC000013300354 884770676 /nfs/dbraw/zinc/77/06/76/884770676.db2.gz NALAPGBHPCNPKT-UHFFFAOYSA-N -2 0 386.501 3.579 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)c1 ZINC000762455142 886236596 /nfs/dbraw/zinc/23/65/96/886236596.db2.gz YGZYZDYYWFUZHK-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000794587580 887541191 /nfs/dbraw/zinc/54/11/91/887541191.db2.gz LMIVEOINUYBDIM-UHFFFAOYSA-N -2 0 381.837 3.740 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c(C)cc1C ZINC000794614010 887679673 /nfs/dbraw/zinc/67/96/73/887679673.db2.gz QGIRBEXHOCKZIE-UHFFFAOYSA-N -2 0 383.853 3.773 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)nn1C1CCCCC1 ZINC000811718854 889916891 /nfs/dbraw/zinc/91/68/91/889916891.db2.gz MAIKLDJGFMFLHF-UHFFFAOYSA-N -2 0 395.456 3.643 20 0 GHADRL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c(O)c1 ZINC001185137599 913657869 /nfs/dbraw/zinc/65/78/69/913657869.db2.gz 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3.538 20 0 GHADRL COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC001599653165 994536466 /nfs/dbraw/zinc/53/64/66/994536466.db2.gz SOOJBYBLFOPGDV-SFHVURJKSA-N -2 0 397.349 3.540 20 0 GHADRL C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001593651771 996013357 /nfs/dbraw/zinc/01/33/57/996013357.db2.gz QPDACPPMFINSTN-CQSZACIVSA-N -2 0 398.440 3.721 20 0 GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1 ZINC001599387376 996969592 /nfs/dbraw/zinc/96/95/92/996969592.db2.gz KXNJGSYFSGBWDG-UHFFFAOYSA-N -2 0 381.431 3.619 20 0 GHADRL CC1(Nc2c3c(ccc2Br)[nH]cc3OP(=O)([O-])[O-])CCC1 ZINC001164032492 1026390455 /nfs/dbraw/zinc/39/04/55/1026390455.db2.gz IPVVCCZDUXVXDT-UHFFFAOYSA-N -2 0 375.159 3.756 20 0 GHADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3ccc(F)c4ccccc34)no2)c1 ZINC001215454257 1029215758 /nfs/dbraw/zinc/21/57/58/1029215758.db2.gz QGIUAEIUWDZPAK-UHFFFAOYSA-N -2 0 386.360 3.648 20 0 GHADRL O=C([O-])c1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cc(F)c1F ZINC001215467482 1029223367 /nfs/dbraw/zinc/22/33/67/1029223367.db2.gz DNGBVTKGQAESKO-UHFFFAOYSA-N -2 0 379.340 3.807 20 0 GHADRL O=P([O-])([O-])OCCNC(F)(F)c1cnc(Cl)c(C2CCCCC2)c1 ZINC001157795095 1033773509 /nfs/dbraw/zinc/77/35/09/1033773509.db2.gz DXAWYQREKFHKDI-UHFFFAOYSA-N -2 0 384.747 3.531 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccc(/C=C/C(=O)[O-])c3)cn2)cc1 ZINC001240548046 1042940097 /nfs/dbraw/zinc/94/00/97/1042940097.db2.gz GHULHAKJXZZNAZ-KPKJPENVSA-N -2 0 394.452 3.956 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)ccc3ccccc32)c(F)cc1Cl ZINC001259219807 1045016889 /nfs/dbraw/zinc/01/68/89/1045016889.db2.gz HSCLLOVQEYSULD-UHFFFAOYSA-N -2 0 395.795 3.837 20 0 GHADRL CCOc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001260189881 1045405338 /nfs/dbraw/zinc/40/53/38/1045405338.db2.gz MZJKPQAGANDEDL-UHFFFAOYSA-N -2 0 389.351 3.603 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCCC2)cc1 ZINC001260227757 1045420482 /nfs/dbraw/zinc/42/04/82/1045420482.db2.gz XOEPMWIZPYJWEQ-UHFFFAOYSA-N -2 0 375.446 3.897 20 0 GHADRL O=S(=O)([N-]c1cnn(Cc2ccccc2)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868951 1045725585 /nfs/dbraw/zinc/72/55/85/1045725585.db2.gz UGJMQIGEMLLYSP-UHFFFAOYSA-N -2 0 398.271 3.745 20 0 GHADRL Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260870192 1045726111 /nfs/dbraw/zinc/72/61/11/1045726111.db2.gz DOOXVEQFUKIXOC-UHFFFAOYSA-N -2 0 390.292 3.805 20 0 GHADRL COc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869382 1045726940 /nfs/dbraw/zinc/72/69/40/1045726940.db2.gz ORPBAKLASZVSID-UHFFFAOYSA-N -2 0 383.640 3.557 20 0 GHADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc1F ZINC001260875502 1045731350 /nfs/dbraw/zinc/73/13/50/1045731350.db2.gz UOEODBBCJGXSBM-UHFFFAOYSA-N -2 0 396.223 3.656 20 0 GHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)cc1 ZINC001320307547 1055747105 /nfs/dbraw/zinc/74/71/05/1055747105.db2.gz GPBBUSYGSMVDLR-VIFPVBQESA-N -2 0 389.260 3.767 20 0 GHADRL O=C([O-])/C(=C/c1cc(Br)c([O-])c(Br)c1)c1ccncc1 ZINC000739491025 599831586 /nfs/dbraw/zinc/83/15/86/599831586.db2.gz UWMPKZXQUVZFOJ-BJMVGYQFSA-N -2 0 399.038 3.937 20 0 GHADRL CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000736285388 599852080 /nfs/dbraw/zinc/85/20/80/599852080.db2.gz FVQRQSKSYNISCV-UHFFFAOYSA-N -2 0 398.462 3.594 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2C)sc1C(=O)[O-] ZINC000037462715 599876157 /nfs/dbraw/zinc/87/61/57/599876157.db2.gz DPSKHGXUGQOIAN-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1Cl ZINC000544641639 599885744 /nfs/dbraw/zinc/88/57/44/599885744.db2.gz LQSMBNMYBAVCKR-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C([O-])c1cc2ccccc2cc1NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000739217694 599942163 /nfs/dbraw/zinc/94/21/63/599942163.db2.gz ZROPBDDLUSUYAY-UHFFFAOYSA-N -2 0 389.407 3.736 20 0 GHADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)sc2c1 ZINC000737211955 599966418 /nfs/dbraw/zinc/96/64/18/599966418.db2.gz ZAHBYNKVCCSOJO-UHFFFAOYSA-N -2 0 392.458 3.502 20 0 GHADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000326965329 600051144 /nfs/dbraw/zinc/05/11/44/600051144.db2.gz RHUYTQKVHINUPR-UHFFFAOYSA-N -2 0 377.443 3.717 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C(C)(C)C)c1C(=O)[O-] ZINC000738969175 600056203 /nfs/dbraw/zinc/05/62/03/600056203.db2.gz IWRQSWRQYGRWHZ-UHFFFAOYSA-N -2 0 397.497 3.644 20 0 GHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)c2n1 ZINC000066235503 600098276 /nfs/dbraw/zinc/09/82/76/600098276.db2.gz HNHXREDMUVXXQU-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])Nc1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000740040449 600149904 /nfs/dbraw/zinc/14/99/04/600149904.db2.gz GMLWLNLBPDJYNL-UHFFFAOYSA-N -2 0 375.431 3.701 20 0 GHADRL CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736971292 600242610 /nfs/dbraw/zinc/24/26/10/600242610.db2.gz SPDVTHJLUJSXII-OAHLLOKOSA-N -2 0 381.494 3.576 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)sc1-c1ccccc1 ZINC000738865419 600244622 /nfs/dbraw/zinc/24/46/22/600244622.db2.gz MTCBHGVBZNGBLH-UHFFFAOYSA-N -2 0 388.470 3.546 20 0 GHADRL Cc1ccc(SCC(F)(F)F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000738667979 600256768 /nfs/dbraw/zinc/25/67/68/600256768.db2.gz NRPYRDCQJWGWCW-UHFFFAOYSA-N -2 0 395.380 3.741 20 0 GHADRL CCN(c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1)C(C)C ZINC000737109310 600423392 /nfs/dbraw/zinc/42/33/92/600423392.db2.gz VLRZWBODBPEHCH-UHFFFAOYSA-N -2 0 398.431 3.699 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2OC(C)C)c1C(=O)[O-] ZINC000738746096 600482413 /nfs/dbraw/zinc/48/24/13/600482413.db2.gz UQMXVKQRMIACNS-UHFFFAOYSA-N -2 0 383.853 3.935 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cs1 ZINC000320537978 600670857 /nfs/dbraw/zinc/67/08/57/600670857.db2.gz FQBWPNVEUIGQLX-UHFFFAOYSA-N -2 0 385.772 3.919 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC000740271412 600798860 /nfs/dbraw/zinc/79/88/60/600798860.db2.gz KLFFZHKWBRHDRT-NSHDSACASA-N -2 0 399.799 3.682 20 0 GHADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000737203230 600886949 /nfs/dbraw/zinc/88/69/49/600886949.db2.gz KYOSEWZDJOWHCK-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000740120442 600890244 /nfs/dbraw/zinc/89/02/44/600890244.db2.gz IPIGVSQGORMZLY-UHFFFAOYSA-N -2 0 399.268 3.622 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)ccc1C(=O)[O-] ZINC000832904481 600976849 /nfs/dbraw/zinc/97/68/49/600976849.db2.gz PGXVPUUGQHCWOS-UHFFFAOYSA-N -2 0 388.470 3.541 20 0 GHADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000740288232 601051390 /nfs/dbraw/zinc/05/13/90/601051390.db2.gz CEDSDLDAKGCNNU-UHFFFAOYSA-N -2 0 385.438 3.708 20 0 GHADRL C[C@@H](Oc1cccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000827902794 601339139 /nfs/dbraw/zinc/33/91/39/601339139.db2.gz TWBCWYLWUTYQEP-CQSZACIVSA-N -2 0 398.440 3.721 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)ccc1Cl ZINC000740813075 601829825 /nfs/dbraw/zinc/82/98/25/601829825.db2.gz RCODAWXTIZHPMU-UHFFFAOYSA-N -2 0 381.837 3.628 20 0 GHADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000833345498 601836118 /nfs/dbraw/zinc/83/61/18/601836118.db2.gz XZYIIDFVMQLHJL-UHFFFAOYSA-N -2 0 396.852 3.555 20 0 GHADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000832998129 602119712 /nfs/dbraw/zinc/11/97/12/602119712.db2.gz FHCFTSGJYHQRII-TWGQIWQCSA-N -2 0 380.491 3.549 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)ccc1Cl ZINC000833304023 602308798 /nfs/dbraw/zinc/30/87/98/602308798.db2.gz KVPDCVQRUIKDEB-UHFFFAOYSA-N -2 0 383.857 3.610 20 0 GHADRL O=C([O-])Nc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000740695500 602473311 /nfs/dbraw/zinc/47/33/11/602473311.db2.gz SKPZWOSFFJSEAS-UHFFFAOYSA-N -2 0 390.355 3.525 20 0 GHADRL COc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000739981457 602652725 /nfs/dbraw/zinc/65/27/25/602652725.db2.gz JJZABRZKUHDEFO-UHFFFAOYSA-N -2 0 390.339 3.605 20 0 GHADRL CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC000833455555 604923375 /nfs/dbraw/zinc/92/33/75/604923375.db2.gz IUVRHQSYMGFGLS-UHFFFAOYSA-N -2 0 392.633 3.630 20 0 GHADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000504702304 604926705 /nfs/dbraw/zinc/92/67/05/604926705.db2.gz FVGXHJFMSROOAY-UHFFFAOYSA-N -2 0 383.491 3.700 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2Br)sc1C(=O)[O-] ZINC000832899262 604997912 /nfs/dbraw/zinc/99/79/12/604997912.db2.gz HMVILBNAKICEMQ-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1sc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C(=O)[O-])c1C ZINC000833757912 605022768 /nfs/dbraw/zinc/02/27/68/605022768.db2.gz CGMHWQDXQXPZHT-UHFFFAOYSA-N -2 0 379.381 3.883 20 0 GHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1C(C)C ZINC000833493156 605151354 /nfs/dbraw/zinc/15/13/54/605151354.db2.gz GZIYLJLHFZNPQI-UHFFFAOYSA-N -2 0 399.900 3.815 20 0 GHADRL C[C@@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2)C1 ZINC000833607920 605185425 /nfs/dbraw/zinc/18/54/25/605185425.db2.gz JZKKPFKBNALATI-DYVFJYSZSA-N -2 0 393.461 3.874 20 0 GHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000541303150 605328582 /nfs/dbraw/zinc/32/85/82/605328582.db2.gz YIMJDBBOZLZDTN-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL O=C([O-])NC1CCC(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CC1 ZINC000834168776 605717791 /nfs/dbraw/zinc/71/77/91/605717791.db2.gz ICKQCIXZEFQJIO-UHFFFAOYSA-N -2 0 391.649 3.573 20 0 GHADRL O=C([O-])Nc1ccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)cc1 ZINC000834258624 606061389 /nfs/dbraw/zinc/06/13/89/606061389.db2.gz ZUHDJORKBVTNBW-UHFFFAOYSA-N -2 0 376.415 3.681 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C1CC1 ZINC000535687256 844308609 /nfs/dbraw/zinc/30/86/09/844308609.db2.gz XATWNYRDWRULLE-LLVKDONJSA-N -2 0 377.466 3.539 20 0 GHADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC000656645777 841655611 /nfs/dbraw/zinc/65/56/11/841655611.db2.gz RONRDQYQGGJMFD-UHFFFAOYSA-N -2 0 395.502 3.617 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)cc(Cl)c1Cl ZINC000481434508 861384680 /nfs/dbraw/zinc/38/46/80/861384680.db2.gz KHMUQYLRLBBTNB-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1Br ZINC000132376106 843807289 /nfs/dbraw/zinc/80/72/89/843807289.db2.gz XJNMYRXLOWGGHM-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c(O)c1 ZINC000548521774 845322011 /nfs/dbraw/zinc/32/20/11/845322011.db2.gz LMWADVQOZPLGNU-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL C[C@H](Oc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)(F)F ZINC000582322517 846860505 /nfs/dbraw/zinc/86/05/05/846860505.db2.gz LIXUKAXOSILMTN-QMMMGPOBSA-N -2 0 395.380 3.577 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c(F)cc1F ZINC000504696588 850243123 /nfs/dbraw/zinc/24/31/23/850243123.db2.gz ZAXRTPVIKKZOBC-JTQLQIEISA-N -2 0 387.429 3.639 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c(Cl)cc1C(=O)[O-] ZINC000436179541 851306976 /nfs/dbraw/zinc/30/69/76/851306976.db2.gz KOCFYELGODXXDV-UHFFFAOYSA-N -2 0 394.836 3.637 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)s1 ZINC000488280585 851338872 /nfs/dbraw/zinc/33/88/72/851338872.db2.gz QSROZNFKHGDRAH-UHFFFAOYSA-N -2 0 395.380 3.708 20 0 GHADRL Cc1csc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)c2)n1 ZINC000520628622 855844230 /nfs/dbraw/zinc/84/42/30/855844230.db2.gz PLOSNSUDGRUTQA-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)ccc12 ZINC000485394673 856454873 /nfs/dbraw/zinc/45/48/73/856454873.db2.gz XSHIILSUIWADBV-UHFFFAOYSA-N -2 0 385.228 3.974 20 0 GHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cs1 ZINC000507968217 856748285 /nfs/dbraw/zinc/74/82/85/856748285.db2.gz WHCNJRQEOXBRLA-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000181755542 863001040 /nfs/dbraw/zinc/00/10/40/863001040.db2.gz BAFDPIBDNNIEFA-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1Cl ZINC000507567758 859830274 /nfs/dbraw/zinc/83/02/74/859830274.db2.gz RMPIKXRZNQVQIO-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000498510124 859956990 /nfs/dbraw/zinc/95/69/90/859956990.db2.gz YFZYIIUYASOFEE-UHFFFAOYSA-N -2 0 395.452 3.821 20 0 GHADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000327456354 860031936 /nfs/dbraw/zinc/03/19/36/860031936.db2.gz VNPINCLXJXRCGS-UHFFFAOYSA-N -2 0 395.742 3.738 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(SCCC(=O)[O-])c1 ZINC000484498651 860045927 /nfs/dbraw/zinc/04/59/27/860045927.db2.gz LGVMMKZLTSXSAN-UHFFFAOYSA-N -2 0 383.466 3.810 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1C(F)(F)F ZINC000327471018 860064532 /nfs/dbraw/zinc/06/45/32/860064532.db2.gz UFJCWZRTUBEDPB-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000484978460 860568350 /nfs/dbraw/zinc/56/83/50/860568350.db2.gz UWXHUQHVVGKQQH-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000606342967 863523237 /nfs/dbraw/zinc/52/32/37/863523237.db2.gz LUMFMMQMCJBDLL-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000327271960 864767762 /nfs/dbraw/zinc/76/77/62/864767762.db2.gz XWMWOMZWRYSDGT-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000737757511 865432167 /nfs/dbraw/zinc/43/21/67/865432167.db2.gz ZWHPKHNTQZTJHO-UHFFFAOYSA-N -2 0 393.273 3.609 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3cc(C)cc(C)c3)[nH]n2)sc1C(=O)[O-] ZINC000444422165 866108235 /nfs/dbraw/zinc/10/82/35/866108235.db2.gz KJOVZZUPJVWOKR-UHFFFAOYSA-N -2 0 391.474 3.562 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc1C(=O)[O-] ZINC000534331874 866576675 /nfs/dbraw/zinc/57/66/75/866576675.db2.gz DEKSXDCFMSYNOX-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1F ZINC000427309354 882271137 /nfs/dbraw/zinc/27/11/37/882271137.db2.gz PGXDQSWBUXAKGG-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192393259 870366619 /nfs/dbraw/zinc/36/66/19/870366619.db2.gz NZTHHQHYOUOWJM-UHFFFAOYSA-N -2 0 389.260 3.758 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnccc2C2CC2)c(Cl)cc1Cl ZINC001192406806 870377104 /nfs/dbraw/zinc/37/71/04/870377104.db2.gz FMIMIFDJGCUYLE-UHFFFAOYSA-N -2 0 387.244 3.765 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cnn1-c1cc(C)ccc1C ZINC000447007611 870860618 /nfs/dbraw/zinc/86/06/18/870860618.db2.gz QOOUWUSNNBWNCP-UHFFFAOYSA-N -2 0 399.472 3.605 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)c1 ZINC000447274240 871340881 /nfs/dbraw/zinc/34/08/81/871340881.db2.gz KLPVSVZLLGZMKZ-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL Cc1cccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)nc12 ZINC001193972853 871411431 /nfs/dbraw/zinc/41/14/31/871411431.db2.gz IPYRAUKHOSJSNP-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc(O)ccc32)c(Cl)cc1F ZINC001194011688 871431648 /nfs/dbraw/zinc/43/16/48/871431648.db2.gz LPNNRNYOTNUGBR-UHFFFAOYSA-N -2 0 395.795 3.837 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ncsc32)c(Cl)cc1F ZINC001194011029 871432037 /nfs/dbraw/zinc/43/20/37/871432037.db2.gz SVMGNIWIYKTRGG-UHFFFAOYSA-N -2 0 386.813 3.588 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2c([S-])cccc2Cl)c(Cl)cc1F ZINC001194016630 871434878 /nfs/dbraw/zinc/43/48/78/871434878.db2.gz GYZUXSMDJHOTNU-UHFFFAOYSA-N -2 0 396.248 3.920 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c(F)cc1F ZINC001195195062 872248536 /nfs/dbraw/zinc/24/85/36/872248536.db2.gz PJJJVXBHCNJRKL-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(Cl)ccnc3c2)c(F)cc1F ZINC001195238599 872305984 /nfs/dbraw/zinc/30/59/84/872305984.db2.gz QUHXLHPJCBQFGF-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1OC(C)C ZINC000463787005 872604083 /nfs/dbraw/zinc/60/40/83/872604083.db2.gz IWLBANACMVRVRM-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc(Cl)c1F ZINC000767737498 872798112 /nfs/dbraw/zinc/79/81/12/872798112.db2.gz MFQPIGNDBSABMO-UHFFFAOYSA-N -2 0 399.827 3.767 20 0 GHADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196074882 872863847 /nfs/dbraw/zinc/86/38/47/872863847.db2.gz JSTVLAAYJKFWDY-UHFFFAOYSA-N -2 0 398.440 3.565 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c(O)c1 ZINC001196089072 872872753 /nfs/dbraw/zinc/87/27/53/872872753.db2.gz GAJOKWXIFSVESF-UHFFFAOYSA-N -2 0 383.425 3.867 20 0 GHADRL COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2[S-])c1 ZINC001196765110 873337020 /nfs/dbraw/zinc/33/70/20/873337020.db2.gz VEXGJPWDRUFFGC-UHFFFAOYSA-N -2 0 392.271 3.686 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000541871376 874439812 /nfs/dbraw/zinc/43/98/12/874439812.db2.gz OOGBQIQOLHCKTK-UHFFFAOYSA-N -2 0 397.808 3.810 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c(F)c1 ZINC000464832548 874567264 /nfs/dbraw/zinc/56/72/64/874567264.db2.gz MBBSBQMVVKSHJH-UHFFFAOYSA-N -2 0 391.342 3.820 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c1 ZINC000530145165 877164507 /nfs/dbraw/zinc/16/45/07/877164507.db2.gz NHYFFWUOLZTSQN-UHFFFAOYSA-N -2 0 393.436 3.527 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551477948 877287706 /nfs/dbraw/zinc/28/77/06/877287706.db2.gz XSJBXWWTRLDQRC-UHFFFAOYSA-N -2 0 375.780 3.680 20 0 GHADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc4c(C(=O)[O-])c[nH]c4c3)c2n1 ZINC000530769931 878461370 /nfs/dbraw/zinc/46/13/70/878461370.db2.gz DNKBLOYXUMPRAN-UHFFFAOYSA-N -2 0 381.413 3.524 20 0 GHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)s1 ZINC000776741366 879849045 /nfs/dbraw/zinc/84/90/45/879849045.db2.gz KAGGEINFMNVBKV-UHFFFAOYSA-N -2 0 392.861 3.696 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc(C(F)(F)F)c1 ZINC000057769608 881132776 /nfs/dbraw/zinc/13/27/76/881132776.db2.gz JGOMCIBOHJKWLV-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1C1CC1 ZINC000762477860 886269143 /nfs/dbraw/zinc/26/91/43/886269143.db2.gz XTGIONHFARWWKX-NSHDSACASA-N -2 0 395.456 3.678 20 0 GHADRL CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032587686 887422875 /nfs/dbraw/zinc/42/28/75/887422875.db2.gz ROLVAFAXRDTJDF-UHFFFAOYSA-N -2 0 390.280 3.572 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)cc(C(=O)[O-])c1F ZINC000763278713 888435554 /nfs/dbraw/zinc/43/55/54/888435554.db2.gz OIOMQXABSNXNPF-UHFFFAOYSA-N -2 0 381.425 3.636 20 0 GHADRL Cc1ccc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cn2)cc1 ZINC001185875502 914135466 /nfs/dbraw/zinc/13/54/66/914135466.db2.gz CREPBMIYQFYPRA-UHFFFAOYSA-N -2 0 382.441 3.864 20 0 GHADRL O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000821106958 897748350 /nfs/dbraw/zinc/74/83/50/897748350.db2.gz PQUSZBMOKNETEG-UHFFFAOYSA-N -2 0 378.409 3.887 20 0 GHADRL O=C([O-])/C=C/c1ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)cc1 ZINC001176594938 908173039 /nfs/dbraw/zinc/17/30/39/908173039.db2.gz BBJBNSJEGKYPHX-JXMROGBWSA-N -2 0 385.397 3.634 20 0 GHADRL O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)CO1 ZINC000901618584 921402602 /nfs/dbraw/zinc/40/26/02/921402602.db2.gz WEHLGOLVQURCFL-BQBZGAKWSA-N -2 0 382.627 3.561 20 0 GHADRL CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000779830626 908975705 /nfs/dbraw/zinc/97/57/05/908975705.db2.gz YPZOVMBOBSIAIW-UHFFFAOYSA-N -2 0 375.780 3.680 20 0 GHADRL CC(C)COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000642113828 911766365 /nfs/dbraw/zinc/76/63/65/911766365.db2.gz LJHBVCFYPSUAMB-UHFFFAOYSA-N -2 0 383.853 3.874 20 0 GHADRL Cc1cccc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)nc12 ZINC001188272664 915865900 /nfs/dbraw/zinc/86/59/00/915865900.db2.gz NIDRAMXRWVJJRQ-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)cc(C(=O)[O-])c1F ZINC000775296125 916849296 /nfs/dbraw/zinc/84/92/96/916849296.db2.gz SCVUSTLKLLNLTN-UHFFFAOYSA-N -2 0 381.425 3.636 20 0 GHADRL O=C(NC/C(=C/F)CCc1ccc(F)cc1)c1ccccc1OP(=O)([O-])[O-] ZINC001189900158 916995935 /nfs/dbraw/zinc/99/59/35/916995935.db2.gz SSOOBVKLEOBBGV-SDNWHVSQSA-N -2 0 397.314 3.513 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c1F ZINC000749144072 924047031 /nfs/dbraw/zinc/04/70/31/924047031.db2.gz UVSANIBCRIWNOB-UHFFFAOYSA-N -2 0 393.223 3.522 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2c(F)cccc2Cl)cccc1C(=O)[O-] ZINC000410401335 925613686 /nfs/dbraw/zinc/61/36/86/925613686.db2.gz MAMWPBQTMWGMNX-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n[nH]1 ZINC000392337270 926406689 /nfs/dbraw/zinc/40/66/89/926406689.db2.gz XFWVWJTUBNMTQJ-UHFFFAOYSA-N -2 0 392.264 3.513 20 0 GHADRL CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000753082178 929195696 /nfs/dbraw/zinc/19/56/96/929195696.db2.gz LJINGIYHCBUKNS-UHFFFAOYSA-N -2 0 381.425 3.640 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1Cl ZINC000753767916 929525842 /nfs/dbraw/zinc/52/58/42/929525842.db2.gz CIHZNFVUXYZJDU-UHFFFAOYSA-N -2 0 391.779 3.749 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1C(=O)[O-] ZINC000753781795 929534928 /nfs/dbraw/zinc/53/49/28/929534928.db2.gz DWYRAJKYBVUFAJ-UHFFFAOYSA-N -2 0 391.342 3.960 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1OC(F)F ZINC000546538938 930249377 /nfs/dbraw/zinc/24/93/77/930249377.db2.gz RLDGEZGWOGEZPB-UHFFFAOYSA-N -2 0 397.808 3.810 20 0 GHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cc1 ZINC000547245567 930841158 /nfs/dbraw/zinc/84/11/58/930841158.db2.gz MKKSJADSXYYIED-UHFFFAOYSA-N -2 0 375.833 3.921 20 0 GHADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000392408930 972482146 /nfs/dbraw/zinc/48/21/46/972482146.db2.gz XSZBIBNSNZSJTO-UHFFFAOYSA-N -2 0 397.808 3.810 20 0 GHADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212052 960658842 /nfs/dbraw/zinc/65/88/42/960658842.db2.gz DEOMCQRSHUKBJX-UHFFFAOYSA-N -2 0 391.779 3.516 20 0 GHADRL Cc1cccc([C@@H](NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C(=O)[O-])c1 ZINC001605327983 973175502 /nfs/dbraw/zinc/17/55/02/973175502.db2.gz JGTJVPQBVHRUEA-LJQANCHMSA-N -2 0 393.443 3.565 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1C1CC1 ZINC001595027470 979144697 /nfs/dbraw/zinc/14/46/97/979144697.db2.gz WGXBJEFTVZOHCH-JTQLQIEISA-N -2 0 397.884 3.884 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCCCC4)nc3c2)o1 ZINC000833323359 979158610 /nfs/dbraw/zinc/15/86/10/979158610.db2.gz GOEDLZGPCFAOBJ-UHFFFAOYSA-N -2 0 389.433 3.703 20 0 GHADRL CC(C)(C(=O)[O-])c1csc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])n1 ZINC001589656636 987621806 /nfs/dbraw/zinc/62/18/06/987621806.db2.gz SHJNGVUYYWDSLW-UHFFFAOYSA-N -2 0 375.233 3.770 20 0 GHADRL CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC001590480957 990071422 /nfs/dbraw/zinc/07/14/22/990071422.db2.gz XUOKAKCOJFUZBG-INIZCTEOSA-N -2 0 377.387 3.914 20 0 GHADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001591409683 992485157 /nfs/dbraw/zinc/48/51/57/992485157.db2.gz JQIYZWWXDSTIIF-UHFFFAOYSA-N -2 0 383.853 3.874 20 0 GHADRL CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCN=c1nc(C(C)C)[n-]s1 ZINC000562701666 1018551747 /nfs/dbraw/zinc/55/17/47/1018551747.db2.gz ANNFEIUTEWFZCA-MRXNPFEDSA-N -2 0 385.537 3.618 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)cc1C(=O)[O-] ZINC000564043742 1019001065 /nfs/dbraw/zinc/00/10/65/1019001065.db2.gz LHMPLVXJNVCUNQ-UHFFFAOYSA-N -2 0 391.493 3.584 20 0 GHADRL CCOc1ccc(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)cc1Cl ZINC001216746429 1029915854 /nfs/dbraw/zinc/91/58/54/1029915854.db2.gz TWWUXKYHXGFZSR-UHFFFAOYSA-N -2 0 396.723 3.927 20 0 GHADRL COc1cc(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)ccc1Cl ZINC001216745627 1029915928 /nfs/dbraw/zinc/91/59/28/1029915928.db2.gz FKWSUWUYCVDTQB-UHFFFAOYSA-N -2 0 382.696 3.537 20 0 GHADRL O=P([O-])([O-])OCCNc1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC001157796018 1033775105 /nfs/dbraw/zinc/77/51/05/1033775105.db2.gz RJTMGBLAHYKOPU-UHFFFAOYSA-N -2 0 391.389 3.757 20 0 GHADRL O=C([O-])c1cc(-c2ncccc2S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001241242523 1035543455 /nfs/dbraw/zinc/54/34/55/1035543455.db2.gz KBABRABYQFXKFM-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL CC(=O)Nc1ccc(OC(F)(F)F)cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161354 1035837989 /nfs/dbraw/zinc/83/79/89/1035837989.db2.gz UTNNEGISKNEXOU-UHFFFAOYSA-N -2 0 383.278 3.607 20 0 GHADRL Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(C(=O)[O-])cc2Cl)cc1Cl ZINC001248556879 1035954220 /nfs/dbraw/zinc/95/42/20/1035954220.db2.gz 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389.351 3.543 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000505124924 850647303 /nfs/dbraw/zinc/64/73/03/850647303.db2.gz PURZRWFNGUTFEK-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)c(F)c1 ZINC000488279805 851341631 /nfs/dbraw/zinc/34/16/31/851341631.db2.gz MBGOHJQIZKOKMU-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000488326535 851411079 /nfs/dbraw/zinc/41/10/79/851411079.db2.gz UYFZGCQXPBAOMP-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436725585 852226923 /nfs/dbraw/zinc/22/69/23/852226923.db2.gz SKXUCSHWSMHCCX-UHFFFAOYSA-N -2 0 387.866 3.575 20 0 GHADRL CCC(=O)c1ccc([O-])c(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1 ZINC000436840094 852404798 /nfs/dbraw/zinc/40/47/98/852404798.db2.gz VUBZAZDOXRNSJN-UHFFFAOYSA-N -2 0 385.807 3.782 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(Cl)c1 ZINC000489779392 852581707 /nfs/dbraw/zinc/58/17/07/852581707.db2.gz ZBSQSYURSRBTOV-UHFFFAOYSA-N -2 0 392.820 3.858 20 0 GHADRL Cc1nc2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc2s1 ZINC000427134721 852760411 /nfs/dbraw/zinc/76/04/11/852760411.db2.gz CQAXQXBZEIGAAB-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)sc1C(=O)[O-] ZINC000438759963 852811343 /nfs/dbraw/zinc/81/13/43/852811343.db2.gz JUJZNDMZAZYSDO-UHFFFAOYSA-N -2 0 379.381 3.883 20 0 GHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(C)C)cc1 ZINC000519876265 853556149 /nfs/dbraw/zinc/55/61/49/853556149.db2.gz KBLDEEHKWNFNCE-UHFFFAOYSA-N -2 0 391.489 3.712 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccc1F ZINC000189469052 855108284 /nfs/dbraw/zinc/10/82/84/855108284.db2.gz XWOWXUWCKNDSCN-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)sc1C(=O)[O-] ZINC000057120361 855226455 /nfs/dbraw/zinc/22/64/55/855226455.db2.gz ROXPNDURODGFBC-UHFFFAOYSA-N -2 0 392.458 3.827 20 0 GHADRL Cc1cc(S(=O)(=O)Nc2cccc3[nH]ccc32)ccc1OCCCC(=O)[O-] ZINC000573700897 856444945 /nfs/dbraw/zinc/44/49/45/856444945.db2.gz JQGHVPHJLPMBPD-UHFFFAOYSA-N -2 0 388.445 3.521 20 0 GHADRL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc2O1 ZINC000785484695 859620259 /nfs/dbraw/zinc/62/02/59/859620259.db2.gz BZCFBUOWCXCZAR-QGZVFWFLSA-N -2 0 397.836 3.736 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)cc1C(=O)[O-] ZINC000484112322 859822396 /nfs/dbraw/zinc/82/23/96/859822396.db2.gz SYGMUIKDICZKMH-UHFFFAOYSA-N -2 0 397.424 3.511 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1C(F)(F)F ZINC000120317369 881531054 /nfs/dbraw/zinc/53/10/54/881531054.db2.gz DNOLRTKDPDIXLI-UHFFFAOYSA-N -2 0 385.319 3.951 20 0 GHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000391676612 860634834 /nfs/dbraw/zinc/63/48/34/860634834.db2.gz WVPOSDKDKATYBG-UHFFFAOYSA-N -2 0 389.882 3.998 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C1CC1 ZINC000534971324 867849548 /nfs/dbraw/zinc/84/95/48/867849548.db2.gz CKYOLSUMBCCKTN-LBPRGKRZSA-N -2 0 391.493 3.847 20 0 GHADRL CC(C)c1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2o1 ZINC000745977594 869923129 /nfs/dbraw/zinc/92/31/29/869923129.db2.gz ZMGLMYWCPSAHKA-UHFFFAOYSA-N -2 0 378.381 3.589 20 0 GHADRL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000446642896 870133554 /nfs/dbraw/zinc/13/35/54/870133554.db2.gz QYQUPOJEBCMSQQ-UHFFFAOYSA-N -2 0 393.490 3.729 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2OC(C)C)cc1C(=O)[O-] ZINC001192649294 870557335 /nfs/dbraw/zinc/55/73/35/870557335.db2.gz YIKNNRYLGITIBA-UHFFFAOYSA-N -2 0 397.424 3.511 20 0 GHADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000447114764 871008805 /nfs/dbraw/zinc/00/88/05/871008805.db2.gz UIJOQTXGFYTKFM-NSHDSACASA-N -2 0 383.853 3.728 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnccc2C2CCC2)c(Cl)cc1F ZINC001193974996 871412856 /nfs/dbraw/zinc/41/28/56/871412856.db2.gz QMMODBKCSPOORR-UHFFFAOYSA-N -2 0 384.816 3.641 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc(C)c1F ZINC001194011648 871431879 /nfs/dbraw/zinc/43/18/79/871431879.db2.gz JVNYTNMDCZELNG-UHFFFAOYSA-N -2 0 375.780 3.734 20 0 GHADRL Cc1ccnc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)cccc12 ZINC001194011965 871432008 /nfs/dbraw/zinc/43/20/08/871432008.db2.gz SCFOZQNHCFTTRT-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000462099412 871588971 /nfs/dbraw/zinc/58/89/71/871588971.db2.gz FFXAJOHWFIBLLL-UHFFFAOYSA-N -2 0 381.425 3.847 20 0 GHADRL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c(C)c1 ZINC001196075316 872863857 /nfs/dbraw/zinc/86/38/57/872863857.db2.gz NOTFSDMWHDYDIA-UHFFFAOYSA-N -2 0 382.441 3.864 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000192154149 882812179 /nfs/dbraw/zinc/81/21/79/882812179.db2.gz AMULAWDJTJSEHC-UHFFFAOYSA-N -2 0 399.472 3.803 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccnc2cc(C(F)(F)F)ccc12 ZINC001198739286 874591538 /nfs/dbraw/zinc/59/15/38/874591538.db2.gz QDMURUNGRPTLFW-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1C(=O)[O-] ZINC000790384919 879656320 /nfs/dbraw/zinc/65/63/20/879656320.db2.gz DVDGCNTXIWZPHW-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c(Cl)c1 ZINC000328051380 884458662 /nfs/dbraw/zinc/45/86/62/884458662.db2.gz SFXUOCAWEQDJNR-UHFFFAOYSA-N -2 0 395.742 3.738 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000761887459 884923661 /nfs/dbraw/zinc/92/36/61/884923661.db2.gz ZZVNAKWYCNGHSE-UHFFFAOYSA-N -2 0 399.877 3.764 20 0 GHADRL Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1-n1cccc1C(=O)[O-] ZINC000072066823 885497988 /nfs/dbraw/zinc/49/79/88/885497988.db2.gz BUGXZAQPADUFPL-UHFFFAOYSA-N -2 0 392.383 3.563 20 0 GHADRL CSc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000476397350 885541190 /nfs/dbraw/zinc/54/11/90/885541190.db2.gz KRMZDJITCZNTMA-UHFFFAOYSA-N -2 0 377.896 3.931 20 0 GHADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2CC)c1 ZINC000794588555 887543091 /nfs/dbraw/zinc/54/30/91/887543091.db2.gz DHVFXHQMOUZSGH-UHFFFAOYSA-N -2 0 395.864 3.994 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)cc(C(=O)[O-])c1F ZINC000763278574 888435614 /nfs/dbraw/zinc/43/56/14/888435614.db2.gz CTDCNFCDOOYLEM-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000126459201 893558761 /nfs/dbraw/zinc/55/87/61/893558761.db2.gz UPPHKDVDWHITKP-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NN=c1cnc2ccccc2[nH]1 ZINC000163487235 893692401 /nfs/dbraw/zinc/69/24/01/893692401.db2.gz KDOVULUEHRZXMH-UHFFFAOYSA-N -2 0 392.850 3.593 20 0 GHADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000126782927 893884642 /nfs/dbraw/zinc/88/46/42/893884642.db2.gz PZAKSRNVAYKQCL-UHFFFAOYSA-N -2 0 391.232 3.666 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc3cc(Cl)ccc32)ccc1F ZINC001186150988 914331857 /nfs/dbraw/zinc/33/18/57/914331857.db2.gz PZPIYAGCWABYRH-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000773273248 904645440 /nfs/dbraw/zinc/64/54/40/904645440.db2.gz HOMQPJALKXWQSD-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL CC[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c1 ZINC000629313732 906696811 /nfs/dbraw/zinc/69/68/11/906696811.db2.gz OLXUMEHVTBQTMI-ZDUSSCGKSA-N -2 0 377.462 3.637 20 0 GHADRL O=C([O-])c1ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)cc1Cl ZINC001175318637 907499197 /nfs/dbraw/zinc/49/91/97/907499197.db2.gz BNKCQXTVDGMMSX-UHFFFAOYSA-N -2 0 393.804 3.887 20 0 GHADRL O=C([O-])c1cc(Nc2ccc3nnc(-c4cccc(F)c4)n3c2)cc(C(=O)[O-])c1 ZINC001176238865 908000105 /nfs/dbraw/zinc/00/01/05/908000105.db2.gz UPQPDMAULHNQAI-UHFFFAOYSA-N -2 0 392.346 3.675 20 0 GHADRL CCOC(=O)Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Cl)c1 ZINC001176243783 908002079 /nfs/dbraw/zinc/00/20/79/908002079.db2.gz DLOXTHCEMBTSAV-UHFFFAOYSA-N -2 0 377.780 3.586 20 0 GHADRL COCc1ccc(Br)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176243686 908002676 /nfs/dbraw/zinc/00/26/76/908002676.db2.gz BFBUZAQCUWYGBE-UHFFFAOYSA-N -2 0 380.194 3.736 20 0 GHADRL COc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)cc1Br ZINC001176243634 908002774 /nfs/dbraw/zinc/00/27/74/908002774.db2.gz AKVRHPPVXKAFQO-UHFFFAOYSA-N -2 0 380.194 3.906 20 0 GHADRL CCOc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1Br ZINC001176244280 908003268 /nfs/dbraw/zinc/00/32/68/908003268.db2.gz JGIZDDIGNDBREJ-UHFFFAOYSA-N -2 0 380.194 3.988 20 0 GHADRL O=C([O-])c1cc(Nc2ccc(OC3CCOCC3)c(F)c2)cc(C(=O)[O-])c1 ZINC001176244157 908003782 /nfs/dbraw/zinc/00/37/82/908003782.db2.gz HXCUOOQBNOWPBP-UHFFFAOYSA-N -2 0 375.352 3.524 20 0 GHADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000193501270 908446408 /nfs/dbraw/zinc/44/64/08/908446408.db2.gz CFGJWOHKXQZJGZ-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL Cc1oc2ccc(NS(=O)(=O)c3cc(F)c(F)c(C(=O)[O-])c3)cc2c1C ZINC000775289358 916828644 /nfs/dbraw/zinc/82/86/44/916828644.db2.gz VPEFKTMUECLHGT-UHFFFAOYSA-N -2 0 381.356 3.827 20 0 GHADRL O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ccc(F)c(Br)c1[O-] ZINC001189689670 916829517 /nfs/dbraw/zinc/82/95/17/916829517.db2.gz FPDYOGYENIVJAV-UHFFFAOYSA-N -2 0 396.184 3.514 20 0 GHADRL Cc1c(NC(=O)c2ccccc2OP(=O)([O-])[O-])snc1-c1ccccc1 ZINC001189871969 916965553 /nfs/dbraw/zinc/96/55/53/916965553.db2.gz QQLKSUMJFWCLMR-UHFFFAOYSA-N -2 0 390.357 3.842 20 0 GHADRL O=C(Nc1ccc2sc(Cl)nc2c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189888934 916991877 /nfs/dbraw/zinc/99/18/77/916991877.db2.gz LPFIZUNQOYRPKE-UHFFFAOYSA-N -2 0 384.737 3.674 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)sc1C(=O)[O-] ZINC000371152807 924451627 /nfs/dbraw/zinc/45/16/27/924451627.db2.gz AMWHJHMNYJDXTH-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000680023205 925333346 /nfs/dbraw/zinc/33/33/46/925333346.db2.gz YHGCSOWXIDUBBV-CQSZACIVSA-N -2 0 384.457 3.922 20 0 GHADRL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000410403071 925613046 /nfs/dbraw/zinc/61/30/46/925613046.db2.gz RCVRSCTVLWWTMK-UHFFFAOYSA-N -2 0 383.853 3.935 20 0 GHADRL CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000410399911 925615616 /nfs/dbraw/zinc/61/56/16/925615616.db2.gz XGIXCGZTWMVMTD-UHFFFAOYSA-N -2 0 393.461 3.762 20 0 GHADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000410399455 925616586 /nfs/dbraw/zinc/61/65/86/925616586.db2.gz FGUDRZGCTOBZJS-UHFFFAOYSA-N -2 0 383.853 3.935 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c(C)c1 ZINC000410398789 925617495 /nfs/dbraw/zinc/61/74/95/925617495.db2.gz RPYLMICPVRTGJX-UHFFFAOYSA-N -2 0 393.461 3.680 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1nc2ccccc2[nH]1 ZINC000467751145 929371232 /nfs/dbraw/zinc/37/12/32/929371232.db2.gz FGJLLFOQFQZZOD-UHFFFAOYSA-N -2 0 397.412 3.630 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1Cl ZINC000753769133 929527225 /nfs/dbraw/zinc/52/72/25/929527225.db2.gz IOURVGOHXFRQQI-UHFFFAOYSA-N -2 0 391.779 3.749 20 0 GHADRL O=C([O-])CCOc1cccc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])c1 ZINC000470246326 930484810 /nfs/dbraw/zinc/48/48/10/930484810.db2.gz FXRNXZVFNHZACO-KTKRTIGZSA-N -2 0 390.395 3.866 20 0 GHADRL O=C(Nc1cccc(Cl)c1[O-])c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000782755826 931325675 /nfs/dbraw/zinc/32/56/75/931325675.db2.gz VZWSGWQLYQHEPY-UHFFFAOYSA-N -2 0 394.758 3.559 20 0 GHADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1Cl ZINC000782919591 931365835 /nfs/dbraw/zinc/36/58/35/931365835.db2.gz TYIJZNCKILACLR-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000783849507 931690095 /nfs/dbraw/zinc/69/00/95/931690095.db2.gz MJYWUNCNGKFQAF-LLVKDONJSA-N -2 0 397.884 3.623 20 0 GHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000783861551 931695258 /nfs/dbraw/zinc/69/52/58/931695258.db2.gz NFFBMNIWTPWLNM-SECBINFHSA-N -2 0 389.260 3.767 20 0 GHADRL O=C([O-])c1cccc(-c2nc(C3([N-]C(=O)C(F)(F)F)CCCC3)cs2)c1 ZINC000829614650 935834366 /nfs/dbraw/zinc/83/43/66/935834366.db2.gz SRLDFJKETXARND-UHFFFAOYSA-N -2 0 384.379 3.956 20 0 GHADRL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000327233889 971378282 /nfs/dbraw/zinc/37/82/82/971378282.db2.gz XZCJTFMMWJEBHQ-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL O=Cc1ccc(-c2ccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)c([O-])c2)o1 ZINC001595295515 950125029 /nfs/dbraw/zinc/12/50/29/950125029.db2.gz QAGGRFVVLMEKJQ-ROUUACIJSA-N -2 0 391.379 3.508 20 0 GHADRL CC(C)C[C@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])CC(=O)[O-] ZINC001603046658 972110073 /nfs/dbraw/zinc/11/00/73/972110073.db2.gz RQAANKMOTNNNQG-VIFPVBQESA-N -2 0 392.677 3.675 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)n2)c1 ZINC001603105932 972178281 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CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000008108994 842159330 /nfs/dbraw/zinc/15/93/30/842159330.db2.gz GEEXTKKYBYZELS-UHFFFAOYSA-N -2 0 393.461 3.600 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1OC(F)F ZINC000581917114 842685041 /nfs/dbraw/zinc/68/50/41/842685041.db2.gz JUZAQZUAVLEHCY-UHFFFAOYSA-N -2 0 391.779 3.749 20 0 GHADRL O=C([O-])CCc1ccc(-c2nc(=O)c3snc(-c4ccccc4)c3[n-]2)cc1 ZINC000548356262 842763275 /nfs/dbraw/zinc/76/32/75/842763275.db2.gz ZRIPEHVZJMOVNT-UHFFFAOYSA-N -2 0 377.425 3.731 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1Cl ZINC000512732190 845250819 /nfs/dbraw/zinc/25/08/19/845250819.db2.gz CIIFCESDXKBILS-UHFFFAOYSA-N -2 0 387.816 3.685 20 0 GHADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000731338661 861570945 /nfs/dbraw/zinc/57/09/45/861570945.db2.gz DXOLUBJQPRIWJN-UHFFFAOYSA-N -2 0 386.256 3.981 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cccc1C(=O)[O-] ZINC000685001821 848111947 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GHADRL Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000509384609 859254791 /nfs/dbraw/zinc/25/47/91/859254791.db2.gz GCPDKXRJMSVXTL-UHFFFAOYSA-N -2 0 388.470 3.541 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc(OC)c1C(C)C ZINC000484089750 859799520 /nfs/dbraw/zinc/79/95/20/859799520.db2.gz UMXQBSSGUMUSOJ-UHFFFAOYSA-N -2 0 399.490 3.696 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)c(C)c1C(=O)[O-] ZINC000484126707 859817677 /nfs/dbraw/zinc/81/76/77/859817677.db2.gz AXJNMUHDKOUMLY-UHFFFAOYSA-N -2 0 381.425 3.729 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000673629329 860773819 /nfs/dbraw/zinc/77/38/19/860773819.db2.gz FFDAIKMREBNEKH-UHFFFAOYSA-N -2 0 399.293 3.741 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cnn1-c1ccccc1C ZINC000480198619 864225284 /nfs/dbraw/zinc/22/52/84/864225284.db2.gz IMZCKNQKTULIDF-UHFFFAOYSA-N -2 0 399.472 3.551 20 0 GHADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000478859117 866754226 /nfs/dbraw/zinc/75/42/26/866754226.db2.gz WIOIDQDLEPZTOY-SZMVWBNQSA-N -2 0 397.475 3.559 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])c(F)c1 ZINC000479186656 867335384 /nfs/dbraw/zinc/33/53/84/867335384.db2.gz MIWJQDYFNMHIKW-UHFFFAOYSA-N -2 0 399.465 3.510 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000525369097 870514738 /nfs/dbraw/zinc/51/47/38/870514738.db2.gz KAPKFJGRKULKFI-UHFFFAOYSA-N -2 0 375.446 3.537 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3ccccc3cn2)c(Cl)cc1F ZINC001193971932 871409789 /nfs/dbraw/zinc/40/97/89/871409789.db2.gz PIICWISOLQUILI-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(C(F)(F)F)c2)c(F)cc1F ZINC001195224804 872266908 /nfs/dbraw/zinc/26/69/08/872266908.db2.gz FSCADBMWOKNUCY-UHFFFAOYSA-N -2 0 399.268 3.622 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c(Cl)ccnc23)c(F)cc1F ZINC001195238952 872306850 /nfs/dbraw/zinc/30/68/50/872306850.db2.gz VWWMMJOAZCCIMK-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1)C(=O)[O-] ZINC000463790266 872565560 /nfs/dbraw/zinc/56/55/60/872565560.db2.gz SMVKEBFIHXWRGE-GFCCVEGCSA-N -2 0 385.844 3.933 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cccc4c3OCO4)cc2)c1 ZINC001196065615 872836914 /nfs/dbraw/zinc/83/69/14/872836914.db2.gz BWHBSTVEARUCFO-UHFFFAOYSA-N -2 0 397.408 3.581 20 0 GHADRL Cc1cc(F)ncc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196068658 872859901 /nfs/dbraw/zinc/85/99/01/872859901.db2.gz XABPYXHHWYQUKY-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cccc(F)c3O)cc2)c1 ZINC001196096247 872876690 /nfs/dbraw/zinc/87/66/90/872876690.db2.gz DXBDSMSYPCBXBS-UHFFFAOYSA-N -2 0 387.388 3.697 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cccc4cnoc43)cc2)c1 ZINC001196097740 872877826 /nfs/dbraw/zinc/87/78/26/872877826.db2.gz YBSUJSQLXJOXHQ-UHFFFAOYSA-N -2 0 394.408 3.994 20 0 GHADRL O=C([O-])c1ccc(NC(=S)Nc2c(Cl)c(=O)[n-]c(F)c2Cl)cc1 ZINC001197076537 873582143 /nfs/dbraw/zinc/58/21/43/873582143.db2.gz HQKYHPXIQTWKPJ-UHFFFAOYSA-N -2 0 376.196 3.740 20 0 GHADRL O=S(=O)([N-]c1ccccc1[S-])c1cc(Br)cnc1Cl ZINC001198527536 874461685 /nfs/dbraw/zinc/46/16/85/874461685.db2.gz CQALMTSFKQGWEC-UHFFFAOYSA-N -2 0 379.688 3.587 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)nn1[C@H](C)C1CC1 ZINC000542232848 875189682 /nfs/dbraw/zinc/18/96/82/875189682.db2.gz VTJMCPBJUOWOIC-LLVKDONJSA-N -2 0 397.884 3.623 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc(Cl)c1F ZINC000776748479 879884692 /nfs/dbraw/zinc/88/46/92/879884692.db2.gz KMTWAESACVNKOM-UHFFFAOYSA-N -2 0 396.783 3.633 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(O)c1 ZINC000392220946 883237688 /nfs/dbraw/zinc/23/76/88/883237688.db2.gz ZLHXIHCOBVWMRF-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551114171 883304907 /nfs/dbraw/zinc/30/49/07/883304907.db2.gz OLKWSFVXRNMGGO-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000322565586 885927147 /nfs/dbraw/zinc/92/71/47/885927147.db2.gz JBVAIRUSNRYZET-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)c(SCCC(=O)[O-])c1 ZINC000460442681 886023049 /nfs/dbraw/zinc/02/30/49/886023049.db2.gz GQQPTDVZAFXKPE-UHFFFAOYSA-N -2 0 383.466 3.810 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)sc1Br ZINC000123550452 890713104 /nfs/dbraw/zinc/71/31/04/890713104.db2.gz PKBISHZWQNPRHW-UHFFFAOYSA-N -2 0 396.309 3.688 20 0 GHADRL Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)c(C)c1C(=O)[O-] ZINC000570499462 899345824 /nfs/dbraw/zinc/34/58/24/899345824.db2.gz HHKDVZHBHYYIDR-UHFFFAOYSA-N -2 0 387.457 3.785 20 0 GHADRL CCCn1ncc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1C1CC1 ZINC000570642622 899464600 /nfs/dbraw/zinc/46/46/00/899464600.db2.gz FPDKWHJTUVVMTE-UHFFFAOYSA-N -2 0 397.884 3.631 20 0 GHADRL O=C(Nc1nc[n-]c(=O)c1Br)c1cccc(-c2ccccc2)c1O ZINC001148866865 904234146 /nfs/dbraw/zinc/23/41/46/904234146.db2.gz IAIZSYMJJQBUPL-UHFFFAOYSA-N -2 0 386.205 3.570 20 0 GHADRL Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC001175320947 907500888 /nfs/dbraw/zinc/50/08/88/907500888.db2.gz XMECGPCTXAJMBL-UHFFFAOYSA-N -2 0 376.217 3.990 20 0 GHADRL COc1cc(F)cc(Br)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244155 908002856 /nfs/dbraw/zinc/00/28/56/908002856.db2.gz HWQPIUWWKBVQLY-UHFFFAOYSA-N -2 0 384.157 3.737 20 0 GHADRL COCCOc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001176244779 908003515 /nfs/dbraw/zinc/00/35/15/908003515.db2.gz OJKRUCKWILHYAK-UHFFFAOYSA-N -2 0 399.321 3.871 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(Cl)n1 ZINC000193335632 908273297 /nfs/dbraw/zinc/27/32/97/908273297.db2.gz LKLMYDMFHJGZDR-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)cc1 ZINC000779825214 908922357 /nfs/dbraw/zinc/92/23/57/908922357.db2.gz OZVSVJXDYVQCJS-UHFFFAOYSA-N -2 0 391.779 3.516 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)cc1F ZINC000779829209 908969725 /nfs/dbraw/zinc/96/97/25/908969725.db2.gz GGTYHVYPNGPAII-UHFFFAOYSA-N -2 0 379.743 3.565 20 0 GHADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1 ZINC000779837379 909023471 /nfs/dbraw/zinc/02/34/71/909023471.db2.gz NVUYUVQHMAXTBW-UHFFFAOYSA-N -2 0 379.743 3.565 20 0 GHADRL O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000740728739 909195510 /nfs/dbraw/zinc/19/55/10/909195510.db2.gz GFQMKZFGBFHETB-GXFFZTMASA-N -2 0 387.263 3.694 20 0 GHADRL O=S(=O)(Nc1cccc(O)c1Br)c1cc2c(s1)CCCC2 ZINC001187220349 915128811 /nfs/dbraw/zinc/12/88/11/915128811.db2.gz YVWNTTRXCGFDFB-UHFFFAOYSA-N -2 0 388.308 3.896 20 0 GHADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC001187589935 915352283 /nfs/dbraw/zinc/35/22/83/915352283.db2.gz UQRRYAHQDYDDKP-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc2ccccc2c(C(=O)[O-])c1 ZINC000751547705 928242824 /nfs/dbraw/zinc/24/28/24/928242824.db2.gz ZNOGDWPHQPDUSO-UHFFFAOYSA-N -2 0 387.461 3.733 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1C(=O)[O-] ZINC000753768982 929527359 /nfs/dbraw/zinc/52/73/59/929527359.db2.gz HGYTWIZDJMIABL-UHFFFAOYSA-N -2 0 391.392 3.948 20 0 GHADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000758171713 929959363 /nfs/dbraw/zinc/95/93/63/929959363.db2.gz ZNZJRTNNVBGMBV-LLVKDONJSA-N -2 0 395.864 3.607 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc(C(=O)[O-])c1Cl ZINC000759095964 930272229 /nfs/dbraw/zinc/27/22/29/930272229.db2.gz HEAKZZIHBMPTOR-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000759101964 930274260 /nfs/dbraw/zinc/27/42/60/930274260.db2.gz JAFVSJXDGRNMGH-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1)C(=O)[O-] ZINC000547330842 930923047 /nfs/dbraw/zinc/92/30/47/930923047.db2.gz HXNPDTDUEZAGLA-MRXNPFEDSA-N -2 0 393.509 3.535 20 0 GHADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000783864322 931696711 /nfs/dbraw/zinc/69/67/11/931696711.db2.gz UGMYWJAHZISIAB-NSHDSACASA-N -2 0 395.864 3.922 20 0 GHADRL Cc1cc(COc2ccc(/C=C/c3cc(C(=O)[O-])ncn3)cc2)oc1C(=O)[O-] ZINC000560075322 933051472 /nfs/dbraw/zinc/05/14/72/933051472.db2.gz HSJDVZYCWFMNMY-GORDUTHDSA-N -2 0 380.356 3.524 20 0 GHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000777936961 934233637 /nfs/dbraw/zinc/23/36/37/934233637.db2.gz GOXOXHDVEMVKIV-UHFFFAOYSA-N -2 0 389.260 3.597 20 0 GHADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])c2)cs1 ZINC000324807328 971159618 /nfs/dbraw/zinc/15/96/18/971159618.db2.gz BWTGGCDYBYGGFV-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000326858289 971337091 /nfs/dbraw/zinc/33/70/91/971337091.db2.gz SJPIKNHNUIAGSP-UHFFFAOYSA-N -2 0 387.841 3.838 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])s1 ZINC000048443476 957457754 /nfs/dbraw/zinc/45/77/54/957457754.db2.gz MIWVZNNJDKZCPS-UHFFFAOYSA-N -2 0 390.280 3.572 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1C ZINC001595026713 979136741 /nfs/dbraw/zinc/13/67/41/979136741.db2.gz KTMBOKFPWOFDAG-SNVBAGLBSA-N -2 0 393.490 3.876 20 0 GHADRL C[C@@H](Cc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1)C(=O)[O-] ZINC001592872590 979730350 /nfs/dbraw/zinc/73/03/50/979730350.db2.gz JZFSVKRUVQSINC-JTQLQIEISA-N -2 0 378.222 3.670 20 0 GHADRL C[C@@H](Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])cc1)C(=O)[O-] ZINC001592876884 979742493 /nfs/dbraw/zinc/74/24/93/979742493.db2.gz FWPKCBWBZBQGTJ-LBPRGKRZSA-N -2 0 399.834 3.747 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)c(C)c1 ZINC001597125693 986832669 /nfs/dbraw/zinc/83/26/69/986832669.db2.gz AJINPQGJJNRVMS-UHFFFAOYSA-N -2 0 399.852 3.555 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c2ncccc12 ZINC001597125955 986834074 /nfs/dbraw/zinc/83/40/74/986834074.db2.gz LVRMKRQHERBJFT-KPKJPENVSA-N -2 0 398.440 3.532 20 0 GHADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1 ZINC001597132369 986855238 /nfs/dbraw/zinc/85/52/38/986855238.db2.gz AXTZCSCDIWHPMR-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1nc(C(=O)[O-])c(C2CC2)s1 ZINC001590515444 990126002 /nfs/dbraw/zinc/12/60/02/990126002.db2.gz LMFZTCXFGMVUPV-UHFFFAOYSA-N -2 0 380.491 3.817 20 0 GHADRL COc1cccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc2)c1 ZINC001599681423 994987990 /nfs/dbraw/zinc/98/79/90/994987990.db2.gz VIAQGVJGJYWLHP-UHFFFAOYSA-N -2 0 389.385 3.580 20 0 GHADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1 ZINC001599383422 996899542 /nfs/dbraw/zinc/89/95/42/996899542.db2.gz DNCJFCJWVXBVRZ-UHFFFAOYSA-N -2 0 375.402 3.557 20 0 GHADRL COCc1cc([N-]S(=O)(=O)c2csc3ccccc32)cc(C(=O)[O-])c1 ZINC001599289803 997044431 /nfs/dbraw/zinc/04/44/31/997044431.db2.gz 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CC(C)c1csc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n1 ZINC000391647852 600101876 /nfs/dbraw/zinc/10/18/76/600101876.db2.gz VLHLFVKEAPBCTO-UHFFFAOYSA-N -2 0 382.488 3.980 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c(F)cc1F ZINC000740089901 600236065 /nfs/dbraw/zinc/23/60/65/600236065.db2.gz MXSBORGNUFWLIM-UHFFFAOYSA-N -2 0 395.355 3.779 20 0 GHADRL CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736969898 600241775 /nfs/dbraw/zinc/24/17/75/600241775.db2.gz JDNATBCZIMVNTO-CYBMUJFWSA-N -2 0 387.523 3.638 20 0 GHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000487422708 600487637 /nfs/dbraw/zinc/48/76/37/600487637.db2.gz WCSONLIDKWSQJN-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL CC(C)c1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000736511744 600511150 /nfs/dbraw/zinc/51/11/50/600511150.db2.gz BYPMBRLXKQLJQQ-GFCCVEGCSA-N -2 0 395.502 3.568 20 0 GHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738015859 600637971 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GHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])s1 ZINC000460820912 601046564 /nfs/dbraw/zinc/04/65/64/601046564.db2.gz RJEIKNVCLSBYDK-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccsc2)c(Br)cc1Cl ZINC000195341965 601116467 /nfs/dbraw/zinc/11/64/67/601116467.db2.gz TXSANCPFTLCEPZ-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1C(=O)[O-] ZINC000833030479 601231747 /nfs/dbraw/zinc/23/17/47/601231747.db2.gz YOUYTGCTJZTILQ-UHFFFAOYSA-N -2 0 394.630 3.503 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1C(=O)[O-] ZINC000833030470 601232171 /nfs/dbraw/zinc/23/21/71/601232171.db2.gz YCUOZEAWHDKXTD-UHFFFAOYSA-N -2 0 393.417 3.519 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cc(F)c(F)c(F)c2)o1 ZINC000833324476 601335685 /nfs/dbraw/zinc/33/56/85/601335685.db2.gz RYPRABIOWCRFHZ-UHFFFAOYSA-N -2 0 397.330 3.863 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)s1 ZINC000035426878 601357132 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606054733 /nfs/dbraw/zinc/05/47/33/606054733.db2.gz MHFRBZFXXUYCCM-UHFFFAOYSA-N -2 0 380.356 3.645 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)c1 ZINC000024378807 836518181 /nfs/dbraw/zinc/51/81/81/836518181.db2.gz NLWOXROUHFXXJE-UHFFFAOYSA-N -2 0 389.479 3.708 20 0 GHADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000547872933 837341912 /nfs/dbraw/zinc/34/19/12/837341912.db2.gz RXPVKTUYTMCFOK-UHFFFAOYSA-N -2 0 388.401 3.583 20 0 GHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000533691222 838087207 /nfs/dbraw/zinc/08/72/07/838087207.db2.gz YCKOQEAXIUDSHE-UHFFFAOYSA-N -2 0 387.454 3.692 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1Cl ZINC000323413984 838356946 /nfs/dbraw/zinc/35/69/46/838356946.db2.gz QSGNUKUHZJKYLM-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000181758582 838888371 /nfs/dbraw/zinc/88/83/71/838888371.db2.gz QMZFPDKFZVBIEB-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL N#CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cc1 ZINC000066813777 839079142 /nfs/dbraw/zinc/07/91/42/839079142.db2.gz ZAZSRHVBEMWQDQ-UHFFFAOYSA-N -2 0 385.228 3.558 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(SCCC(=O)[O-])c1 ZINC000460446356 839577405 /nfs/dbraw/zinc/57/74/05/839577405.db2.gz HHYNTNKDLJHWDO-UHFFFAOYSA-N -2 0 387.429 3.641 20 0 GHADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000323383740 839653793 /nfs/dbraw/zinc/65/37/93/839653793.db2.gz PYHNWHDOJAMXSH-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)c(C)c2)cc1C(=O)[O-] ZINC000656637713 841633435 /nfs/dbraw/zinc/63/34/35/841633435.db2.gz MJENFQWFPZVLNZ-UHFFFAOYSA-N -2 0 388.367 3.525 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2F)cc(Cl)c1Cl ZINC000481442045 861399013 /nfs/dbraw/zinc/39/90/13/861399013.db2.gz WFIMQOYUMJGTAX-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)c1 ZINC000512757750 845354707 /nfs/dbraw/zinc/35/47/07/845354707.db2.gz PYDMANCPMLYVNP-UHFFFAOYSA-N -2 0 381.425 3.636 20 0 GHADRL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000731340879 861573132 /nfs/dbraw/zinc/57/31/32/861573132.db2.gz VACRLUQTJUAWLO-UHFFFAOYSA-N -2 0 399.255 3.984 20 0 GHADRL Cc1cc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000443856027 862065986 /nfs/dbraw/zinc/06/59/86/862065986.db2.gz GASLCJLMNPGUHY-ZDUSSCGKSA-N -2 0 378.432 3.535 20 0 GHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1)C(=O)[O-] ZINC000504665290 850223320 /nfs/dbraw/zinc/22/33/20/850223320.db2.gz CSRJQTXJOJTUGY-VIFPVBQESA-N -2 0 389.857 3.845 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c(O)c1 ZINC000504673248 850228722 /nfs/dbraw/zinc/22/87/22/850228722.db2.gz KOJFOSFJVVLGCH-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1)C(=O)[O-] ZINC000504688541 850241747 /nfs/dbraw/zinc/24/17/47/850241747.db2.gz ZOEBYQQDUFUAHZ-SECBINFHSA-N -2 0 389.857 3.845 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000504694203 850260416 /nfs/dbraw/zinc/26/04/16/850260416.db2.gz FPSHXQILKALTMJ-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL O=C([O-])c1cc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc(C(=O)[O-])c1 ZINC000514838369 850348834 /nfs/dbraw/zinc/34/88/34/850348834.db2.gz QLMIXROBUBRFKN-UHFFFAOYSA-N -2 0 382.416 3.570 20 0 GHADRL Cc1n[nH]cc1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[n-]s1 ZINC000505747062 851140950 /nfs/dbraw/zinc/14/09/50/851140950.db2.gz FJCUZBXMUJOLSO-UHFFFAOYSA-N -2 0 377.429 3.703 20 0 GHADRL Cc1nc(C2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)sc1C(=O)[O-] ZINC000910354037 851168535 /nfs/dbraw/zinc/16/85/35/851168535.db2.gz JURLASUONNSMEF-UHFFFAOYSA-N -2 0 398.843 3.668 20 0 GHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000436148871 851263456 /nfs/dbraw/zinc/26/34/56/851263456.db2.gz CTUWXSASBVPMQJ-AWEZNQCLSA-N -2 0 397.456 3.523 20 0 GHADRL COc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)ccc1OCCC(=O)[O-] ZINC000439281114 853506903 /nfs/dbraw/zinc/50/69/03/853506903.db2.gz XQEWDDRAHMLZSW-CLTKARDFSA-N -2 0 383.356 3.559 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1OC(F)F ZINC000481975399 862567886 /nfs/dbraw/zinc/56/78/86/862567886.db2.gz RWNCLKWGXDHCBA-UHFFFAOYSA-N -2 0 385.388 3.658 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cccc1C(=O)[O-] ZINC000189469208 855108709 /nfs/dbraw/zinc/10/87/09/855108709.db2.gz CCBHTTPBLZVNBR-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c(Cl)c1 ZINC000542722480 855558898 /nfs/dbraw/zinc/55/88/98/855558898.db2.gz FBXSCKCHHIBZMS-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1 ZINC000485248254 856263563 /nfs/dbraw/zinc/26/35/63/856263563.db2.gz GMOZNLWERCVOOL-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485297074 856327079 /nfs/dbraw/zinc/32/70/79/856327079.db2.gz ZVVFKQDBKOVCQX-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)ccc1C(=O)[O-] ZINC000507890601 856633157 /nfs/dbraw/zinc/63/31/57/856633157.db2.gz QTHCMVRWZDPGSG-UHFFFAOYSA-N -2 0 391.779 3.749 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000674714072 856727034 /nfs/dbraw/zinc/72/70/34/856727034.db2.gz DYGINGSYVZTARM-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000181768417 863007207 /nfs/dbraw/zinc/00/72/07/863007207.db2.gz BWMVNRMYUGNJMB-AWEZNQCLSA-N -2 0 384.457 3.922 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C(=O)[O-])c3)s2)cs1 ZINC000507652998 859830184 /nfs/dbraw/zinc/83/01/84/859830184.db2.gz ZMYOUSBSZSAHHS-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL CCc1ccc([N-]S(=O)(=O)c2sccc2Br)c(C(=O)[O-])c1 ZINC000385637481 859960496 /nfs/dbraw/zinc/96/04/96/859960496.db2.gz AYGHUNUGLHVSFZ-UHFFFAOYSA-N -2 0 390.280 3.572 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c(O)c1 ZINC000484481242 860044181 /nfs/dbraw/zinc/04/41/81/860044181.db2.gz TZZKKSJQSWHXRO-UHFFFAOYSA-N -2 0 383.834 3.759 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1Br ZINC000484524644 860075706 /nfs/dbraw/zinc/07/57/06/860075706.db2.gz XIGOSYDMIHWWGD-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000484572358 860124951 /nfs/dbraw/zinc/12/49/51/860124951.db2.gz UFJXKJTWXJFEBX-UHFFFAOYSA-N -2 0 380.472 3.517 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000484798087 860356562 /nfs/dbraw/zinc/35/65/62/860356562.db2.gz NWQUZNOXASHPOL-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000484988394 860564965 /nfs/dbraw/zinc/56/49/65/860564965.db2.gz PQXIGYQYGKVRDL-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000671663397 860596047 /nfs/dbraw/zinc/59/60/47/860596047.db2.gz HDLSZOBBOVXGEY-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000671663486 860596928 /nfs/dbraw/zinc/59/69/28/860596928.db2.gz PHMZACQWTBRFEU-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000555455860 860968140 /nfs/dbraw/zinc/96/81/40/860968140.db2.gz KEBSPNNSWFIDKD-UHFFFAOYSA-N -2 0 386.429 3.521 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1C ZINC000480229754 864311677 /nfs/dbraw/zinc/31/16/77/864311677.db2.gz UVCJZUJQVUQARA-LBPRGKRZSA-N -2 0 379.482 3.785 20 0 GHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3c2N=S=N3)cc1 ZINC000328356537 864822942 /nfs/dbraw/zinc/82/29/42/864822942.db2.gz ZOISDBQIXGGXGF-SNVBAGLBSA-N -2 0 377.447 3.792 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000608007275 864910825 /nfs/dbraw/zinc/91/08/25/864910825.db2.gz XZKUXZTVMQZEHX-UHFFFAOYSA-N -2 0 393.417 3.519 20 0 GHADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc4cccnc43)c1)CCCC2 ZINC000614770578 866281184 /nfs/dbraw/zinc/28/11/84/866281184.db2.gz RPWCPWXXJJDGGT-UHFFFAOYSA-N -2 0 382.441 3.613 20 0 GHADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cn1 ZINC000478677069 866444100 /nfs/dbraw/zinc/44/41/00/866444100.db2.gz LRBHDZBRJXGCDJ-GFCCVEGCSA-N -2 0 377.466 3.613 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000479199842 867316067 /nfs/dbraw/zinc/31/60/67/867316067.db2.gz NWIJYBNAKAUTBD-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1C ZINC000523738442 867876905 /nfs/dbraw/zinc/87/69/05/867876905.db2.gz UKWZBBPSFIKBRB-UHFFFAOYSA-N -2 0 393.461 3.680 20 0 GHADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1O ZINC000793430783 882181651 /nfs/dbraw/zinc/18/16/51/882181651.db2.gz LVDMQDMIHICEJE-UHFFFAOYSA-N -2 0 381.425 3.636 20 0 GHADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000504693718 869528246 /nfs/dbraw/zinc/52/82/46/869528246.db2.gz AWCCNJLYEBRZCJ-UHFFFAOYSA-N -2 0 396.273 3.709 20 0 GHADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2)oc1C ZINC000745978556 869923268 /nfs/dbraw/zinc/92/32/68/869923268.db2.gz XNDVJPHGCWMYGU-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)c1 ZINC000745979256 869923901 /nfs/dbraw/zinc/92/39/01/869923901.db2.gz WAOHCAYYHSZVJJ-UHFFFAOYSA-N -2 0 394.811 3.769 20 0 GHADRL Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000745979783 869924247 /nfs/dbraw/zinc/92/42/47/869924247.db2.gz ILGSZIZYVSVORA-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000446633830 870119845 /nfs/dbraw/zinc/11/98/45/870119845.db2.gz AQDIYCCITKMGAA-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ocnc32)c(Cl)cc1Cl ZINC001192429384 870356612 /nfs/dbraw/zinc/35/66/12/870356612.db2.gz ALYOGBVJLRUQAZ-UHFFFAOYSA-N 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ZINC001194302077 871609944 /nfs/dbraw/zinc/60/99/44/871609944.db2.gz WQKUZHWVTHMRAX-UHFFFAOYSA-N -2 0 391.421 3.800 20 0 GHADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000768283768 873207050 /nfs/dbraw/zinc/20/70/50/873207050.db2.gz TXMZMJUWHQNCQD-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000768286031 873208642 /nfs/dbraw/zinc/20/86/42/873208642.db2.gz KVUKZNYRUORCSC-UHFFFAOYSA-N -2 0 388.228 3.523 20 0 GHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1)C(=O)[O-] ZINC000551915514 877992228 /nfs/dbraw/zinc/99/22/28/877992228.db2.gz JXIYYMKDKYGTPZ-LLVKDONJSA-N -2 0 377.443 3.799 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c(Cl)cc1F ZINC000110697378 878435933 /nfs/dbraw/zinc/43/59/33/878435933.db2.gz BSYONTXAJIUBQS-UHFFFAOYSA-N -2 0 394.811 3.769 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000538014985 878714722 /nfs/dbraw/zinc/71/47/22/878714722.db2.gz 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CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)cc1 ZINC000484803040 860360186 /nfs/dbraw/zinc/36/01/86/860360186.db2.gz MPNAGDRCZRVFEP-UHFFFAOYSA-N -2 0 386.429 3.506 20 0 GHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000484956783 860537451 /nfs/dbraw/zinc/53/74/51/860537451.db2.gz ADVKPOVSQBWESZ-UHFFFAOYSA-N -2 0 385.441 3.666 20 0 GHADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000554432753 864326454 /nfs/dbraw/zinc/32/64/54/864326454.db2.gz UOLQXVSGBUEZQN-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)cc1F ZINC000327996937 864790169 /nfs/dbraw/zinc/79/01/69/864790169.db2.gz DXNGHJFVHGPDJZ-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C1CC1 ZINC000534234945 866387174 /nfs/dbraw/zinc/38/71/74/866387174.db2.gz JVXCOJPPIQORNT-SNVBAGLBSA-N -2 0 397.884 3.884 20 0 GHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c1 ZINC000534289517 866476758 /nfs/dbraw/zinc/47/67/58/866476758.db2.gz BJEADSGOWCUBLR-UHFFFAOYSA-N -2 0 390.461 3.636 20 0 GHADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000478859115 866755214 /nfs/dbraw/zinc/75/52/14/866755214.db2.gz WIOIDQDLEPZTOY-NJAFHUGGSA-N -2 0 397.475 3.559 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cc1O ZINC000742231084 867146819 /nfs/dbraw/zinc/14/68/19/867146819.db2.gz KUWNEKUQOXMVIL-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000479334546 867606979 /nfs/dbraw/zinc/60/69/79/867606979.db2.gz LRTGVKMNYWDSKH-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL Cc1cc(C)c(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001192429800 870358271 /nfs/dbraw/zinc/35/82/71/870358271.db2.gz TWXREACSOLFILQ-UHFFFAOYSA-N -2 0 390.244 3.815 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cc1C(=O)[O-] ZINC001192608653 870541311 /nfs/dbraw/zinc/54/13/11/870541311.db2.gz RZZKYRNDFXEKMX-UHFFFAOYSA-N -2 0 398.440 3.646 20 0 GHADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000447106085 871029721 /nfs/dbraw/zinc/02/97/21/871029721.db2.gz AGRJAWMZPPWNOG-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1ccnc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)ccc12 ZINC001194011624 871431495 /nfs/dbraw/zinc/43/14/95/871431495.db2.gz IHLZMSJMGFVMOE-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])s1 ZINC000463367835 871553063 /nfs/dbraw/zinc/55/30/63/871553063.db2.gz NDDHSOVLLRLNKX-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cc1C ZINC000539399155 871896769 /nfs/dbraw/zinc/89/67/69/871896769.db2.gz QJPFCHZLIQRJAQ-SECBINFHSA-N -2 0 385.873 3.623 20 0 GHADRL CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C)c1 ZINC001195234764 872242842 /nfs/dbraw/zinc/24/28/42/872242842.db2.gz RERYKVSMIRHROR-UHFFFAOYSA-N -2 0 398.431 3.618 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3cc(Cl)ccc3c2)c(F)cc1F ZINC001195194888 872247569 /nfs/dbraw/zinc/24/75/69/872247569.db2.gz KZVLZXYISAVTNN-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1)C(=O)[O-] ZINC000463785927 872600217 /nfs/dbraw/zinc/60/02/17/872600217.db2.gz YCGHGWHDYCGROE-LBPRGKRZSA-N -2 0 385.844 3.933 20 0 GHADRL CCc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1C(=O)[O-] ZINC000152937368 872992990 /nfs/dbraw/zinc/99/29/90/872992990.db2.gz DCZCTFBTADHQCM-UHFFFAOYSA-N -2 0 388.489 3.738 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc(F)c1F ZINC000768283679 873206916 /nfs/dbraw/zinc/20/69/16/873206916.db2.gz RBUQDWFPHGKKAF-UHFFFAOYSA-N -2 0 396.396 3.587 20 0 GHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000541304955 873325908 /nfs/dbraw/zinc/32/59/08/873325908.db2.gz FOYSNBGWWOCNIV-UHFFFAOYSA-N -2 0 383.495 3.566 20 0 GHADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc([C@@H](C)CC(=O)[O-])cc3)c2n1 ZINC000541308024 873332665 /nfs/dbraw/zinc/33/26/65/873332665.db2.gz YMXKBOACHUPMMM-ZDUSSCGKSA-N -2 0 384.457 3.922 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2c(cccc2C(F)(F)F)c1 ZINC001198747339 874595601 /nfs/dbraw/zinc/59/56/01/874595601.db2.gz WINKYADKXVBPDM-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1CCC(C)C ZINC000491661497 875875425 /nfs/dbraw/zinc/87/54/25/875875425.db2.gz IZPPGSXOPQBJLY-UHFFFAOYSA-N -2 0 399.900 3.644 20 0 GHADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000530783599 878510426 /nfs/dbraw/zinc/51/04/26/878510426.db2.gz VIFRWMLUCSLEDM-UHFFFAOYSA-N -2 0 385.873 3.542 20 0 GHADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2)o1 ZINC000178377204 879100001 /nfs/dbraw/zinc/10/00/01/879100001.db2.gz SHDCNXBLJJOHHY-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000790606395 879858078 /nfs/dbraw/zinc/85/80/78/879858078.db2.gz GHEOPPKZRQRSFE-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1Cl ZINC000776748625 879905950 /nfs/dbraw/zinc/90/59/50/879905950.db2.gz UNRDTKPPWHXBBS-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)cc(Br)c2)sc1C(=O)[O-] ZINC000230224586 884902090 /nfs/dbraw/zinc/90/20/90/884902090.db2.gz KKYLYPWMRJWVNI-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000762616617 886545066 /nfs/dbraw/zinc/54/50/66/886545066.db2.gz GGXCYMRGOFHXHH-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(C)cc1C ZINC000794612203 887677858 /nfs/dbraw/zinc/67/78/58/887677858.db2.gz HQOCPVLFKCYYNF-UHFFFAOYSA-N -2 0 387.816 3.604 20 0 GHADRL CN(C)[C@@H](CNc1ccc(P(=O)([O-])[O-])cc1)c1ccc(Cl)cc1Cl ZINC001170595858 888107776 /nfs/dbraw/zinc/10/77/76/888107776.db2.gz RUFBAYTVBLMXCX-INIZCTEOSA-N -2 0 389.219 3.511 20 0 GHADRL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2s1 ZINC000326579565 888524792 /nfs/dbraw/zinc/52/47/92/888524792.db2.gz ATFNOAXQZGRBGX-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL COc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184653643 913344702 /nfs/dbraw/zinc/34/47/02/913344702.db2.gz OUAYWLGAHLDQFQ-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2O)cc1C(=O)[O-] ZINC001184696725 913364049 /nfs/dbraw/zinc/36/40/49/913364049.db2.gz IWUZWXXGRMKLNJ-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(C)C)cc1C(=O)[O-] ZINC001184703475 913369722 /nfs/dbraw/zinc/36/97/22/913369722.db2.gz NDUDSQFUVUQFDS-UHFFFAOYSA-N -2 0 381.425 3.668 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1-c1ccccc1 ZINC000533164670 889923668 /nfs/dbraw/zinc/92/36/68/889923668.db2.gz GFRBOIMSYBKHMK-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncsc2C2CC2)cc1C(F)(F)F ZINC000882772518 896975130 /nfs/dbraw/zinc/97/51/30/896975130.db2.gz YWVXSTNTWDJHNA-UHFFFAOYSA-N -2 0 392.380 3.538 20 0 GHADRL CN(C)C(=O)Sc1cccc(NS(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000821173699 897778504 /nfs/dbraw/zinc/77/85/04/897778504.db2.gz VVJDNDYDQXNNAJ-UHFFFAOYSA-N -2 0 386.882 3.620 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c(Cl)ccnc23)ccc1F ZINC001186191396 914351899 /nfs/dbraw/zinc/35/18/99/914351899.db2.gz WLGVMPURWKQQMA-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1C(=O)[O-] ZINC000156300685 899667056 /nfs/dbraw/zinc/66/70/56/899667056.db2.gz PNUYRPKSMLTJGL-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2csc3ccccc32)c(S(=O)(=O)[O-])c1 ZINC001186495492 914579590 /nfs/dbraw/zinc/57/95/90/914579590.db2.gz OGEPDBAEWRFMDT-UHFFFAOYSA-N -2 0 397.499 3.566 20 0 GHADRL O=C([O-])c1cc(Nc2cc(F)ccc2OC[C@H]2CCCO2)cc(C(=O)[O-])c1 ZINC001176241820 907999947 /nfs/dbraw/zinc/99/99/47/907999947.db2.gz ZLIQQKWFXDEXDJ-OAHLLOKOSA-N -2 0 375.352 3.524 20 0 GHADRL CC(C)(C)OC(=O)n1ncc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc21 ZINC001176241423 908000186 /nfs/dbraw/zinc/00/01/86/908000186.db2.gz GTCWNEJOHCGRSP-UHFFFAOYSA-N -2 0 397.387 3.960 20 0 GHADRL O=C([O-])c1cc(Nc2ccc3c(cnn3[C@@H]3CCCCO3)c2)cc(C(=O)[O-])c1 ZINC001176242113 908001210 /nfs/dbraw/zinc/00/12/10/908001210.db2.gz ONXFSCYDVZXCLB-SFHVURJKSA-N -2 0 381.388 3.875 20 0 GHADRL Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1I ZINC001176242226 908001458 /nfs/dbraw/zinc/00/14/58/908001458.db2.gz RCGJDEZVIJCPCM-UHFFFAOYSA-N -2 0 397.168 3.740 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(F)c(Cl)c1F ZINC000779824507 908905308 /nfs/dbraw/zinc/90/53/08/908905308.db2.gz CHUQSVULRNUXEY-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnc3ccc(F)cc3c2)c1 ZINC001187553066 915348959 /nfs/dbraw/zinc/34/89/59/915348959.db2.gz HQJZMQKHPRZGLR-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL Cc1c(Cl)cc(NC(=O)c2ccccc2S(=O)(=O)[O-])c([O-])c1Cl ZINC001189694636 916834765 /nfs/dbraw/zinc/83/47/65/916834765.db2.gz YDWNOZXZAOVVQW-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)cc1C(=O)[O-] ZINC000775295629 916844799 /nfs/dbraw/zinc/84/47/99/916844799.db2.gz MJAZOMCUVDIMPI-UHFFFAOYSA-N -2 0 381.425 3.636 20 0 GHADRL O=C(Nc1c(Cl)ccc([O-])c1Cl)c1nc(Br)ccc1[O-] ZINC001191742116 918190811 /nfs/dbraw/zinc/19/08/11/918190811.db2.gz LVBOIEMHDGCXBV-UHFFFAOYSA-N -2 0 378.009 3.814 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)nc3ccccc23)cc1 ZINC001192109449 918413849 /nfs/dbraw/zinc/41/38/49/918413849.db2.gz FHQITZIWFSRTJK-UHFFFAOYSA-N -2 0 390.848 3.706 20 0 GHADRL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749140980 924044284 /nfs/dbraw/zinc/04/42/84/924044284.db2.gz GODBWZJGOHYYGX-UHFFFAOYSA-N -2 0 381.425 3.729 20 0 GHADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753779728 929533735 /nfs/dbraw/zinc/53/37/35/929533735.db2.gz VKOAHCZPYNNSAH-UHFFFAOYSA-N -2 0 389.351 3.543 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)c(F)c1 ZINC000547245809 930840971 /nfs/dbraw/zinc/84/09/71/930840971.db2.gz AITQXZLOYGFHBR-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3csc(-c4ccccc4)n3)ccc12 ZINC000547558309 931114922 /nfs/dbraw/zinc/11/49/22/931114922.db2.gz WJWGKNPTPSZTQZ-UHFFFAOYSA-N -2 0 399.453 3.790 20 0 GHADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000783874353 931700829 /nfs/dbraw/zinc/70/08/29/931700829.db2.gz SPQZTOCORKKZRN-UHFFFAOYSA-N -2 0 379.409 3.651 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cccc1C(=O)[O-] ZINC000829957560 935885548 /nfs/dbraw/zinc/88/55/48/935885548.db2.gz QOLRZIIGWIQCFI-UHFFFAOYSA-N -2 0 391.445 3.514 20 0 GHADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000325108081 971185382 /nfs/dbraw/zinc/18/53/82/971185382.db2.gz YFAXXQUSTORGIY-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL O=Cc1ccc(-c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)c([O-])c2)o1 ZINC001595295513 950125162 /nfs/dbraw/zinc/12/51/62/950125162.db2.gz QAGGRFVVLMEKJQ-MSOLQXFVSA-N -2 0 391.379 3.508 20 0 GHADRL Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000013262982 957001191 /nfs/dbraw/zinc/00/11/91/957001191.db2.gz DEBWLGPEZAHELO-UHFFFAOYSA-N -2 0 386.385 3.555 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1C1CC1 ZINC001595027471 979144531 /nfs/dbraw/zinc/14/45/31/979144531.db2.gz WGXBJEFTVZOHCH-SNVBAGLBSA-N -2 0 397.884 3.884 20 0 GHADRL CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1C ZINC001594813982 981935449 /nfs/dbraw/zinc/93/54/49/981935449.db2.gz BHJONXRMRHNZJQ-UHFFFAOYSA-N -2 0 381.450 3.792 20 0 GHADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001595780828 982553934 /nfs/dbraw/zinc/55/39/34/982553934.db2.gz PMFHBGWLCJEYGT-UHFFFAOYSA-N -2 0 393.461 3.682 20 0 GHADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)c1 ZINC001594721987 987207888 /nfs/dbraw/zinc/20/78/88/987207888.db2.gz GIOBRZBYYAAWBE-UHFFFAOYSA-N -2 0 387.866 3.802 20 0 GHADRL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001599692291 991089257 /nfs/dbraw/zinc/08/92/57/991089257.db2.gz ONPRQJPNWYKNEF-UHFFFAOYSA-N -2 0 398.440 3.565 20 0 GHADRL O=C(Nc1cccc(Cl)c1[O-])c1cccc(I)c1[O-] ZINC000755622956 1023316310 /nfs/dbraw/zinc/31/63/10/1023316310.db2.gz LLGPEVRFPMJVKL-UHFFFAOYSA-N -2 0 389.576 3.608 20 0 GHADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1Cl ZINC000756936972 1023875929 /nfs/dbraw/zinc/87/59/29/1023875929.db2.gz QKKDLTUTSXBZAC-UHFFFAOYSA-N -2 0 393.820 3.839 20 0 GHADRL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000756937053 1023876237 /nfs/dbraw/zinc/87/62/37/1023876237.db2.gz XVVREBJJPKDTPO-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL O=C([O-])c1c(F)cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cc1F ZINC001203330286 1027278607 /nfs/dbraw/zinc/27/86/07/1027278607.db2.gz RKACMQWBODBOKF-UHFFFAOYSA-N -2 0 379.340 3.807 20 0 GHADRL O=C([O-])c1cc(F)c(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c(F)c1 ZINC001215613059 1029306078 /nfs/dbraw/zinc/30/60/78/1029306078.db2.gz GTAMOSBPUBFVRY-UHFFFAOYSA-N -2 0 395.339 3.512 20 0 GHADRL O=C([O-])c1cc(-c2nc(-c3cccc4ccccc43)no2)cc(S(=O)(=O)[O-])c1 ZINC001216751742 1029918924 /nfs/dbraw/zinc/91/89/24/1029918924.db2.gz JBZSMWNXXUKUDR-UHFFFAOYSA-N -2 0 396.380 3.502 20 0 GHADRL O=P([O-])([O-])OCCNc1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001157788000 1033770670 /nfs/dbraw/zinc/77/06/70/1033770670.db2.gz VRCTZGPPFPTAAB-UHFFFAOYSA-N -2 0 397.730 3.611 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2c(Cl)cccc2C(F)(F)F)ccc1F ZINC000326928239 1034268911 /nfs/dbraw/zinc/26/89/11/1034268911.db2.gz WGGOWVVVUYFNIT-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(SC(F)(F)F)cc2)c1 ZINC000327046765 1034369666 /nfs/dbraw/zinc/36/96/66/1034369666.db2.gz XVYWECUIGQZYRZ-UHFFFAOYSA-N -2 0 395.355 3.937 20 0 GHADRL O=S(=O)([N-]c1nccs1)c1ccc(-c2cc(Cl)c([O-])cc2F)nc1 ZINC001245669717 1036970480 /nfs/dbraw/zinc/97/04/80/1036970480.db2.gz WDJUGBPQNHXMBR-UHFFFAOYSA-N -2 0 385.829 3.504 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cccc4c[nH]nc43)cc2)c1 ZINC001237906669 1042418024 /nfs/dbraw/zinc/41/80/24/1042418024.db2.gz YLCPGVQNQAXHBP-UHFFFAOYSA-N -2 0 393.424 3.729 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3cc(F)ccc3c2)c(F)cc1Cl ZINC001259213997 1045013985 /nfs/dbraw/zinc/01/39/85/1045013985.db2.gz XIXNWPQULIMUBE-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259221169 1045018681 /nfs/dbraw/zinc/01/86/81/1045018681.db2.gz UJKISHUMOLGTEU-UHFFFAOYSA-N -2 0 375.780 3.734 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)ccc3c2)c1 ZINC001260189861 1045405362 /nfs/dbraw/zinc/40/53/62/1045405362.db2.gz LLRSQQPZOAQICF-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)snc1-c1ccccc1 ZINC001260210158 1045416074 /nfs/dbraw/zinc/41/60/74/1045416074.db2.gz QNHRKGHPNLLDCQ-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3c(Cl)ccnc23)c1 ZINC001260215851 1045416630 /nfs/dbraw/zinc/41/66/30/1045416630.db2.gz CSIWBWZWENTQJV-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)n(CC2CCC2)n1 ZINC001260871023 1045726288 /nfs/dbraw/zinc/72/62/88/1045726288.db2.gz GKBFWWDWBKJFGC-UHFFFAOYSA-N -2 0 390.292 3.805 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCc2ccccc2)cc1 ZINC000381177677 1046935305 /nfs/dbraw/zinc/93/53/05/1046935305.db2.gz PJTYFRRROYCVAH-UHFFFAOYSA-N -2 0 383.425 3.765 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)o1 ZINC000327287152 599736081 /nfs/dbraw/zinc/73/60/81/599736081.db2.gz INWBECLNNMGJHN-UHFFFAOYSA-N -2 0 375.427 3.930 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)c1C(=O)[O-] ZINC000738969637 599739876 /nfs/dbraw/zinc/73/98/76/599739876.db2.gz OBIJPKXKEBWUHQ-UHFFFAOYSA-N -2 0 398.868 3.649 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000738635568 599924563 /nfs/dbraw/zinc/92/45/63/599924563.db2.gz DKYVRDSGMOUHSH-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736930976 599987891 /nfs/dbraw/zinc/98/78/91/599987891.db2.gz BIXNUFTZWZIXJZ-QGZVFWFLSA-N -2 0 394.855 3.800 20 0 GHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000322019365 600005644 /nfs/dbraw/zinc/00/56/44/600005644.db2.gz FWDLRSNFAJGRIS-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000736492540 600052576 /nfs/dbraw/zinc/05/25/76/600052576.db2.gz FDTSMFMYCOHHFV-UHFFFAOYSA-N -2 0 392.458 3.583 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1F ZINC000737202360 600052974 /nfs/dbraw/zinc/05/29/74/600052974.db2.gz DBXHQQQXOSWRFT-UHFFFAOYSA-N -2 0 395.433 3.938 20 0 GHADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)nc21 ZINC000738578745 600054608 /nfs/dbraw/zinc/05/46/08/600054608.db2.gz JGWMSKAWVMWITA-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC000738347978 600055846 /nfs/dbraw/zinc/05/58/46/600055846.db2.gz VILMZAZXUCNKKF-UHFFFAOYSA-N -2 0 380.491 3.610 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)sc1Cc1ccccc1 ZINC000738864889 600056278 /nfs/dbraw/zinc/05/62/78/600056278.db2.gz JBBMZIVSZMMPND-UHFFFAOYSA-N -2 0 394.499 3.603 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(OC(F)F)c1 ZINC000740154549 600237840 /nfs/dbraw/zinc/23/78/40/600237840.db2.gz FUSKHXCXRZEEGX-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738614357 600428656 /nfs/dbraw/zinc/42/86/56/600428656.db2.gz GWEJOOALBFOZOK-UHFFFAOYSA-N -2 0 396.490 3.540 20 0 GHADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000740015368 600441077 /nfs/dbraw/zinc/44/10/77/600441077.db2.gz FYFDXXPQKDZYRW-UHFFFAOYSA-N -2 0 396.424 3.562 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1Cl ZINC000195445528 600482813 /nfs/dbraw/zinc/48/28/13/600482813.db2.gz RRMQOMIRPGQUJP-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC000606825827 600541982 /nfs/dbraw/zinc/54/19/82/600541982.db2.gz ULABUXQXIPCCET-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL CCCOc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1OCCC ZINC000614752448 600671253 /nfs/dbraw/zinc/67/12/53/600671253.db2.gz ZFBLQYDGFONBRE-UHFFFAOYSA-N -2 0 399.490 3.825 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC000740271408 600798910 /nfs/dbraw/zinc/79/89/10/600798910.db2.gz KLFFZHKWBRHDRT-LLVKDONJSA-N -2 0 399.799 3.682 20 0 GHADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c1 ZINC000740074885 600892599 /nfs/dbraw/zinc/89/25/99/600892599.db2.gz GBKPLGQDXGPJTA-UHFFFAOYSA-N -2 0 383.857 3.541 20 0 GHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000172605531 600898557 /nfs/dbraw/zinc/89/85/57/600898557.db2.gz PRSUQUDOSHAGCD-UHFFFAOYSA-N -2 0 387.379 3.868 20 0 GHADRL Cc1oc(CN(C)C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])cc1C(=O)[O-] ZINC000738966432 600940683 /nfs/dbraw/zinc/94/06/83/600940683.db2.gz DDLSZYMKERIUIZ-UHFFFAOYSA-N -2 0 397.431 3.573 20 0 GHADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013341147 601317683 /nfs/dbraw/zinc/31/76/83/601317683.db2.gz UEAQCSPPZXBYKW-UHFFFAOYSA-N -2 0 390.244 3.891 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(Cl)cc1Cl ZINC000755260770 601328912 /nfs/dbraw/zinc/32/89/12/601328912.db2.gz QCWDVATWCKJIOQ-UHFFFAOYSA-N -2 0 385.228 3.974 20 0 GHADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)s1 ZINC000830299908 601361027 /nfs/dbraw/zinc/36/10/27/601361027.db2.gz YSYGNHCPQHEGOM-UHFFFAOYSA-N -2 0 381.262 3.511 20 0 GHADRL CCCCc1nc2cc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])ccc2[nH]1 ZINC000829441753 601486347 /nfs/dbraw/zinc/48/63/47/601486347.db2.gz YFWHAIPKHINXFS-UHFFFAOYSA-N -2 0 391.449 3.614 20 0 GHADRL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000826763503 601843462 /nfs/dbraw/zinc/84/34/62/601843462.db2.gz BPBPVNWRTDIMTG-LLVKDONJSA-N -2 0 385.873 3.643 20 0 GHADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829528030 601855718 /nfs/dbraw/zinc/85/57/18/601855718.db2.gz OSXZUSLOCIFASB-BJMVGYQFSA-N -2 0 379.409 3.513 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C(=O)[O-])c3)s2)cs1 ZINC000481575762 602201397 /nfs/dbraw/zinc/20/13/97/602201397.db2.gz XPBVLWHVGMTSGV-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000738667437 602645254 /nfs/dbraw/zinc/64/52/54/602645254.db2.gz OXGYSPCFGWYOFO-UHFFFAOYSA-N -2 0 378.303 3.735 20 0 GHADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000323287717 605049484 /nfs/dbraw/zinc/04/94/84/605049484.db2.gz OWBGOGIRAIZCDG-UHFFFAOYSA-N -2 0 378.222 3.769 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2Br)sc1C(=O)[O-] ZINC000833747362 605119386 /nfs/dbraw/zinc/11/93/86/605119386.db2.gz MHRHPUZQVMBNBD-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000833747566 605128327 /nfs/dbraw/zinc/12/83/27/605128327.db2.gz WLWXFSCUTCQAAX-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CC1=C(C(=O)[O-])[C@@H](c2cc(Cl)ccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000833576284 605168825 /nfs/dbraw/zinc/16/88/25/605168825.db2.gz YPDGVNCDKSBXJU-MRXNPFEDSA-N -2 0 398.818 3.549 20 0 GHADRL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000834162176 605657588 /nfs/dbraw/zinc/65/75/88/605657588.db2.gz QCHQSWOPUZGVOR-YHWZYXNKSA-N -2 0 388.851 3.992 20 0 GHADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000833790117 606053657 /nfs/dbraw/zinc/05/36/57/606053657.db2.gz MQRRELYCBITIOH-MEBBXXQBSA-N -2 0 376.796 3.622 20 0 GHADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000177028897 837723348 /nfs/dbraw/zinc/72/33/48/837723348.db2.gz MIQMVZAFLZMCCL-UHFFFAOYSA-N -2 0 399.859 3.769 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)cc1)C(=O)[O-] ZINC000547956101 837892222 /nfs/dbraw/zinc/89/22/22/837892222.db2.gz RMGLFMLCMMIIMR-MRXNPFEDSA-N -2 0 398.484 3.997 20 0 GHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000181768655 838889964 /nfs/dbraw/zinc/88/99/64/838889964.db2.gz SEOVQZXESPFDAX-SECBINFHSA-N -2 0 389.260 3.767 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1Cl ZINC000520850649 842477750 /nfs/dbraw/zinc/47/77/50/842477750.db2.gz HBUNMRNGYVZRMB-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000184745206 842960086 /nfs/dbraw/zinc/96/00/86/842960086.db2.gz SNEHPKAMNLNKBN-UHFFFAOYSA-N -2 0 393.770 3.787 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000481440409 861392615 /nfs/dbraw/zinc/39/26/15/861392615.db2.gz STCDONFBVHNRNV-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)ccc1C(=O)[O-] ZINC000432761366 843740123 /nfs/dbraw/zinc/74/01/23/843740123.db2.gz 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389.351 3.521 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c3ccccc23)s1 ZINC000830259652 602124309 /nfs/dbraw/zinc/12/43/09/602124309.db2.gz AEQQPIQTEBJEDD-UHFFFAOYSA-N -2 0 391.470 3.728 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(F)c3)s2)cs1 ZINC000533169780 602201092 /nfs/dbraw/zinc/20/10/92/602201092.db2.gz CELSCCWMSKDOHK-UHFFFAOYSA-N -2 0 398.462 3.818 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(CC(=O)[O-])c3)s2)cs1 ZINC000163847004 602201345 /nfs/dbraw/zinc/20/13/45/602201345.db2.gz VYBGBFMSJANIJT-UHFFFAOYSA-N -2 0 394.499 3.608 20 0 GHADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000740716473 602653793 /nfs/dbraw/zinc/65/37/93/602653793.db2.gz NBNXHWBQRXJAJK-UHFFFAOYSA-N -2 0 378.303 3.735 20 0 GHADRL CC(C)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833508662 604902728 /nfs/dbraw/zinc/90/27/28/604902728.db2.gz QFHWFWNDCOEHEB-UHFFFAOYSA-N -2 0 388.239 3.665 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])ccc1C(=O)OC(C)(C)C ZINC000833747333 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20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)c1 ZINC000512726456 845219362 /nfs/dbraw/zinc/21/93/62/845219362.db2.gz XKBGBNRPDZRARH-UHFFFAOYSA-N -2 0 381.425 3.810 20 0 GHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512753286 845344530 /nfs/dbraw/zinc/34/45/30/845344530.db2.gz WYIGCHDGGZEONL-UHFFFAOYSA-N -2 0 387.816 3.685 20 0 GHADRL Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1C(=O)[O-] ZINC000548525236 845346178 /nfs/dbraw/zinc/34/61/78/845346178.db2.gz DIELVVYQILJBFA-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512761787 845366248 /nfs/dbraw/zinc/36/62/48/845366248.db2.gz IJTKJMXTODJHBE-UHFFFAOYSA-N -2 0 381.425 3.730 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)cc1C(=O)[O-] ZINC000433807194 845386982 /nfs/dbraw/zinc/38/69/82/845386982.db2.gz DLMQYTGPJSUQAL-UHFFFAOYSA-N -2 0 393.461 3.587 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)nn1C1CCCCC1 ZINC000582188721 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IZMMUJJTMASAHQ-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1 ZINC000436894743 852445789 /nfs/dbraw/zinc/44/57/89/852445789.db2.gz RXMYWQRGYOZQBT-UHFFFAOYSA-N -2 0 375.427 3.620 20 0 GHADRL CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc21 ZINC000489710718 852539433 /nfs/dbraw/zinc/53/94/33/852539433.db2.gz FKKSZNJQIQIUAA-UHFFFAOYSA-N -2 0 393.852 3.770 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000591680460 856213703 /nfs/dbraw/zinc/21/37/03/856213703.db2.gz UFHYOELRVGVGMF-UHFFFAOYSA-N -2 0 394.474 3.994 20 0 GHADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000485429626 856490896 /nfs/dbraw/zinc/49/08/96/856490896.db2.gz SDSXHOOKDDTSHZ-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000058519008 862807929 /nfs/dbraw/zinc/80/79/29/862807929.db2.gz ZNZGVUDYDWXUQA-UHFFFAOYSA-N -2 0 389.351 3.701 20 0 GHADRL 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CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3ccc(CC(=O)[O-])cc3)n2)cc1 ZINC000827112693 600702188 /nfs/dbraw/zinc/70/21/88/600702188.db2.gz LCUXEGNGZKKJOU-UHFFFAOYSA-N -2 0 379.416 3.581 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccncc2)cc1C(=O)[O-] ZINC000832956448 600830140 /nfs/dbraw/zinc/83/01/40/600830140.db2.gz BBBQIBAOEOHOFP-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)sc2C1 ZINC000829267886 600976225 /nfs/dbraw/zinc/97/62/25/600976225.db2.gz YONAIWRXHRYLMG-VIFPVBQESA-N -2 0 386.520 3.609 20 0 GHADRL O=C([O-])CCCc1nnc([N-]C(=O)c2ncoc2-c2ccccc2Cl)s1 ZINC000739710166 601024949 /nfs/dbraw/zinc/02/49/49/601024949.db2.gz BDJYYOLUTLDAHI-UHFFFAOYSA-N -2 0 392.824 3.506 20 0 GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000831945988 601150529 /nfs/dbraw/zinc/15/05/29/601150529.db2.gz NZRVUPKRNZGGIF-UHFFFAOYSA-N -2 0 389.454 3.923 20 0 GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000831946284 601203166 /nfs/dbraw/zinc/20/31/66/601203166.db2.gz RLUPZLTWJODSJK-UHFFFAOYSA-N -2 0 397.474 3.577 20 0 GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(-c2cccs2)c1 ZINC000831944988 601204049 /nfs/dbraw/zinc/20/40/49/601204049.db2.gz CWKKBFRFJNRLCM-UHFFFAOYSA-N -2 0 395.483 3.984 20 0 GHADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000755255421 601250468 /nfs/dbraw/zinc/25/04/68/601250468.db2.gz CPWXKUXXEUAUCV-UHFFFAOYSA-N -2 0 390.244 3.760 20 0 GHADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000827054668 601329047 /nfs/dbraw/zinc/32/90/47/601329047.db2.gz OCKWJNYEFQEGCB-BJMVGYQFSA-N -2 0 379.409 3.512 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c(Cl)cc1Cl ZINC000321382078 601358354 /nfs/dbraw/zinc/35/83/54/601358354.db2.gz WZHMCNHPVIDVGD-UHFFFAOYSA-N -2 0 393.273 3.826 20 0 GHADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(CSC2CCCC2)c1 ZINC000833346513 601485504 /nfs/dbraw/zinc/48/55/04/601485504.db2.gz QWPPCGBPNUZPSK-UHFFFAOYSA-N -2 0 398.531 3.818 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)n2)c1 ZINC000827129546 601756527 /nfs/dbraw/zinc/75/65/27/601756527.db2.gz QYRQHMYYGXBYCJ-QGZVFWFLSA-N -2 0 391.427 3.530 20 0 GHADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000325373108 601770986 /nfs/dbraw/zinc/77/09/86/601770986.db2.gz TVLDRCOTUOIFKL-HJWRWDBZSA-N -2 0 386.882 3.616 20 0 GHADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000393063783 601772235 /nfs/dbraw/zinc/77/22/35/601772235.db2.gz VALRGWWMQLBZAU-UHFFFAOYSA-N -2 0 376.459 3.504 20 0 GHADRL O=C([O-])COc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c2ccccc12 ZINC000833255478 602069312 /nfs/dbraw/zinc/06/93/12/602069312.db2.gz HEUJYGIGYVHLJM-KRWDZBQOSA-N -2 0 393.395 3.500 20 0 GHADRL O=C([O-])c1csc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000833343413 602118496 /nfs/dbraw/zinc/11/84/96/602118496.db2.gz DLQJTPNGDMLZMZ-UHFFFAOYSA-N -2 0 385.772 3.919 20 0 GHADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1Cl ZINC000532845847 602321549 /nfs/dbraw/zinc/32/15/49/602321549.db2.gz WHIOKLAKLYCOIV-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833508439 604689798 /nfs/dbraw/zinc/68/97/98/604689798.db2.gz UNLHPEFCLWSSGR-UHFFFAOYSA-N -2 0 386.882 3.735 20 0 GHADRL O=C([O-])COc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1Cl ZINC000833255191 604793582 /nfs/dbraw/zinc/79/35/82/604793582.db2.gz AXOHNGMYOIRACI-UHFFFAOYSA-N -2 0 383.828 3.557 20 0 GHADRL Cc1[nH]c(C(=O)Nc2cc(Br)cc(Cl)c2[O-])c(C)c1C(=O)[O-] ZINC000833740195 604990095 /nfs/dbraw/zinc/99/00/95/604990095.db2.gz OXFGWRSHXPZTOB-UHFFFAOYSA-N -2 0 387.617 3.704 20 0 GHADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1 ZINC000386159480 605051883 /nfs/dbraw/zinc/05/18/83/605051883.db2.gz KMABBBQTOIHHPX-UHFFFAOYSA-N -2 0 377.443 3.556 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1 ZINC000549077445 837433395 /nfs/dbraw/zinc/43/33/95/837433395.db2.gz NGKYDGZWPNJIHO-UHFFFAOYSA-N -2 0 381.425 3.729 20 0 GHADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000547939077 837741843 /nfs/dbraw/zinc/74/18/43/837741843.db2.gz WKDCRAVVNHSCAH-SNVBAGLBSA-N -2 0 394.301 3.592 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780382846 835250144 /nfs/dbraw/zinc/25/01/44/835250144.db2.gz IBPQMGCIKZRGEE-UHFFFAOYSA-N -2 0 391.779 3.785 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1 ZINC000511318472 835314678 /nfs/dbraw/zinc/31/46/78/835314678.db2.gz CDZQNRRJNBDPDK-UHFFFAOYSA-N -2 0 390.244 3.517 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471970293 844157382 /nfs/dbraw/zinc/15/73/82/844157382.db2.gz NARJCNASYLUTDE-UHFFFAOYSA-N -2 0 392.408 3.595 20 0 GHADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)n2)cc1 ZINC000181295815 838581003 /nfs/dbraw/zinc/58/10/03/838581003.db2.gz UJIMTELTDKYKQM-UHFFFAOYSA-N -2 0 394.214 3.851 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cc1F ZINC000066813804 839079533 /nfs/dbraw/zinc/07/95/33/839079533.db2.gz FGUYLJFCOLJDHS-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000468779899 840311318 /nfs/dbraw/zinc/31/13/18/840311318.db2.gz BHCOAPJJOCUVJM-UHFFFAOYSA-N -2 0 390.244 3.891 20 0 GHADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000069646910 841246731 /nfs/dbraw/zinc/24/67/31/841246731.db2.gz SIXHUHRQWFIKNR-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000548200901 842152143 /nfs/dbraw/zinc/15/21/43/842152143.db2.gz VQCOTHWDYONXOY-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)c(C)c1C(=O)[O-] ZINC000512757895 845354939 /nfs/dbraw/zinc/35/49/39/845354939.db2.gz SYDRRPOJGCCDBU-UHFFFAOYSA-N -2 0 377.462 3.806 20 0 GHADRL CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512795579 845537702 /nfs/dbraw/zinc/53/77/02/845537702.db2.gz WEXIYZVIDQSWPD-LBPRGKRZSA-N -2 0 381.425 3.810 20 0 GHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000582375840 846986532 /nfs/dbraw/zinc/98/65/32/846986532.db2.gz WLSCCGATVNQRKB-UHFFFAOYSA-N -2 0 377.466 3.504 20 0 GHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000504536509 850110541 /nfs/dbraw/zinc/11/05/41/850110541.db2.gz OTTXTJYVSALBKF-UHFFFAOYSA-N -2 0 381.406 3.548 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1F ZINC000504592313 850179462 /nfs/dbraw/zinc/17/94/62/850179462.db2.gz LDDHRRKOHBEDSD-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000504696258 850242688 /nfs/dbraw/zinc/24/26/88/850242688.db2.gz WVBJWXLKDKNETA-ZDUSSCGKSA-N -2 0 395.502 3.678 20 0 GHADRL C[C@@H](Oc1ccc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1)C(=O)[O-] ZINC000504742245 850279950 /nfs/dbraw/zinc/27/99/50/850279950.db2.gz OXWRMLPAJWDKRS-FWLQQBITSA-N -2 0 390.395 3.864 20 0 GHADRL CCC(=O)c1ccc([O-])c(NC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])c1 ZINC000436833452 852383004 /nfs/dbraw/zinc/38/30/04/852383004.db2.gz LTWVBYYDMARCOA-UHFFFAOYSA-N -2 0 383.379 3.576 20 0 GHADRL Cc1nc2ccc(S(=O)(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)cc2s1 ZINC000427238646 852882313 /nfs/dbraw/zinc/88/23/13/852882313.db2.gz WTRZOVVKAOQJST-UHFFFAOYSA-N -2 0 390.486 3.768 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c1 ZINC000507638569 853117023 /nfs/dbraw/zinc/11/70/23/853117023.db2.gz UPXJCFUNXKAIBZ-UHFFFAOYSA-N -2 0 390.414 3.794 20 0 GHADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)cc2)cs1 ZINC000591679081 856202392 /nfs/dbraw/zinc/20/23/92/856202392.db2.gz CWAZSDLQCHBMHP-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c(Cl)cc1C(=O)[O-] ZINC000485277813 856315318 /nfs/dbraw/zinc/31/53/18/856315318.db2.gz QLYWIQBUGXBJJR-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1cc(C)ccc1C ZINC000507978346 856762684 /nfs/dbraw/zinc/76/26/84/856762684.db2.gz HCPDCBFUVKVDLJ-UHFFFAOYSA-N -2 0 399.472 3.605 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C(C)C)ccc1C(=O)[O-] ZINC000507980939 856765205 /nfs/dbraw/zinc/76/52/05/856765205.db2.gz VYVZYMJPYFTEGC-UHFFFAOYSA-N -2 0 393.509 3.860 20 0 GHADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058488479 856899106 /nfs/dbraw/zinc/89/91/06/856899106.db2.gz MWUFLIQQBDHVQS-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000063180874 857593595 /nfs/dbraw/zinc/59/35/95/857593595.db2.gz AXNKPVNNCYYPJS-UHFFFAOYSA-N -2 0 395.380 3.665 20 0 GHADRL O=C([O-])CCOc1ccc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1 ZINC000443445852 858687902 /nfs/dbraw/zinc/68/79/02/858687902.db2.gz RWAKIJXCWGQSBB-DHZHZOJOSA-N -2 0 390.395 3.866 20 0 GHADRL C[C@@H](Oc1cccc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])c1)C(=O)[O-] ZINC000443447750 858690217 /nfs/dbraw/zinc/69/02/17/858690217.db2.gz SLRJZQZCNNJGOO-IWMPZKFUSA-N -2 0 390.395 3.864 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2nn(C3CCCCC3)cc2C)sc1C(=O)[O-] ZINC000543164737 858697119 /nfs/dbraw/zinc/69/71/19/858697119.db2.gz VQIAFQZLLGRPDJ-UHFFFAOYSA-N -2 0 383.495 3.566 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)Cc1ccccc1-2 ZINC000013360369 859894333 /nfs/dbraw/zinc/89/43/33/859894333.db2.gz HFEFIJYAWSCPMI-UHFFFAOYSA-N -2 0 395.436 3.765 20 0 GHADRL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000327472665 860071880 /nfs/dbraw/zinc/07/18/80/860071880.db2.gz UTNPHIDZGORKNL-UHFFFAOYSA-N -2 0 387.816 3.767 20 0 GHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000484988987 860566587 /nfs/dbraw/zinc/56/65/87/860566587.db2.gz UFYQVLVEPPOMNV-UHFFFAOYSA-N -2 0 391.489 3.712 20 0 GHADRL CO[C@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccc(Cl)cc1 ZINC000509063393 860749450 /nfs/dbraw/zinc/74/94/50/860749450.db2.gz FQRYMJMTRXMKCC-LLVKDONJSA-N -2 0 399.852 3.607 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1C ZINC000160179053 863389618 /nfs/dbraw/zinc/38/96/18/863389618.db2.gz MGGLOAIPSUXMBK-UHFFFAOYSA-N -2 0 379.482 3.614 20 0 GHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000480199415 864228196 /nfs/dbraw/zinc/22/81/96/864228196.db2.gz UXWKPMUOLKOWBR-UHFFFAOYSA-N -2 0 382.246 3.563 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)s2)cs1 ZINC000163930704 864579741 /nfs/dbraw/zinc/57/97/41/864579741.db2.gz AEKBKDFGLKCMMN-UHFFFAOYSA-N -2 0 398.462 3.818 20 0 GHADRL Cc1cc(C(=O)Nc2ccc(SC(C)(C)C)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000742248827 867157111 /nfs/dbraw/zinc/15/71/11/867157111.db2.gz FUNDRXLBQQPXSV-UHFFFAOYSA-N -2 0 384.461 3.887 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1CCC(C)C ZINC000479230803 867415156 /nfs/dbraw/zinc/41/51/56/867415156.db2.gz GLTGETLMFLXAPC-UHFFFAOYSA-N -2 0 399.900 3.698 20 0 GHADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000793388410 882163646 /nfs/dbraw/zinc/16/36/46/882163646.db2.gz KVYDCSYVYNXCLX-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)c2)o1 ZINC000156333583 868329164 /nfs/dbraw/zinc/32/91/64/868329164.db2.gz YPGCBSXVFXXWIG-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000793416831 882194441 /nfs/dbraw/zinc/19/44/41/882194441.db2.gz QRHWDADERRXQSU-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1 ZINC000745977965 869923858 /nfs/dbraw/zinc/92/38/58/869923858.db2.gz KBDBZZCTWLKGFO-UHFFFAOYSA-N -2 0 392.433 3.812 20 0 GHADRL Cc1cncc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)c12 ZINC001194011993 871431551 /nfs/dbraw/zinc/43/15/51/871431551.db2.gz UNWDJRXASGFIIQ-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c(F)cc1F ZINC001195234373 872241952 /nfs/dbraw/zinc/24/19/52/872241952.db2.gz JAQIQEFYIQCPJI-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nccc(Cl)c3c2)c(F)cc1F ZINC001195237403 872305039 /nfs/dbraw/zinc/30/50/39/872305039.db2.gz DVJFVNGCUZWJJC-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc3cnccc32)c(F)cc1F ZINC001195238827 872306200 /nfs/dbraw/zinc/30/62/00/872306200.db2.gz STILPUFCMYKFSE-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2cccnc2)c(F)cc1F ZINC001195238896 872306453 /nfs/dbraw/zinc/30/64/53/872306453.db2.gz UZGACTMAYYXOOM-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)nn1[C@@H](C)C1CC1 ZINC000542232849 875190159 /nfs/dbraw/zinc/19/01/59/875190159.db2.gz VTJMCPBJUOWOIC-NSHDSACASA-N -2 0 397.884 3.623 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Br)cc1 ZINC000491610195 875849088 /nfs/dbraw/zinc/84/90/88/875849088.db2.gz OKYVEXYQGBGMTJ-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000007053729 879469524 /nfs/dbraw/zinc/46/95/24/879469524.db2.gz 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875198878 /nfs/dbraw/zinc/19/88/78/875198878.db2.gz VGZRULCNNGUTQA-UHFFFAOYSA-N -2 0 391.493 3.813 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000173575687 876484579 /nfs/dbraw/zinc/48/45/79/876484579.db2.gz XFKCZOVXFFGPMU-UHFFFAOYSA-N -2 0 378.431 3.574 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000776504250 877292130 /nfs/dbraw/zinc/29/21/30/877292130.db2.gz RPNKCZJEXKILRD-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)nn1-c1cc(C)cc(C)c1 ZINC000538497657 879581185 /nfs/dbraw/zinc/58/11/85/879581185.db2.gz GYTWJZVPTBTTOI-UHFFFAOYSA-N -2 0 399.472 3.605 20 0 GHADRL O=S(=O)(CCc1ccccc1Br)[N-]c1cccc(Cl)c1[O-] ZINC000461342572 879645704 /nfs/dbraw/zinc/64/57/04/879645704.db2.gz ITAUKWHXCYMGLC-UHFFFAOYSA-N -2 0 390.686 3.793 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000321313403 884088439 /nfs/dbraw/zinc/08/84/39/884088439.db2.gz DJJKOKZHPQTXTB-UHFFFAOYSA-N -2 0 379.431 3.870 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OCC(C)C)cc1C(=O)[O-] ZINC000614863234 888388781 /nfs/dbraw/zinc/38/87/81/888388781.db2.gz QHBVBCRQPCFVCP-UHFFFAOYSA-N -2 0 377.462 3.837 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)cc(C(=O)[O-])c1F ZINC000763279708 888435012 /nfs/dbraw/zinc/43/50/12/888435012.db2.gz CJZSPNHTXZEYAW-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)on2)cc1C(=O)[O-] ZINC001184670838 913329142 /nfs/dbraw/zinc/32/91/42/913329142.db2.gz UWWNMPBYZRPZFY-UHFFFAOYSA-N -2 0 398.849 3.864 20 0 GHADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccccc3SC(F)F)c1)CCC2 ZINC000917727683 892470872 /nfs/dbraw/zinc/47/08/72/892470872.db2.gz COANYXJWZUENOB-UHFFFAOYSA-N -2 0 399.440 3.989 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(C)c(Cl)c1O ZINC001185914039 914197860 /nfs/dbraw/zinc/19/78/60/914197860.db2.gz LMNVIYVYBBDVJO-UHFFFAOYSA-N -2 0 390.244 3.815 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c(Cl)cc1F ZINC000132727206 897888637 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3.988 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2[S-])c1 ZINC001187578808 915374233 /nfs/dbraw/zinc/37/42/33/915374233.db2.gz CFEXVDPEVSACEG-UHFFFAOYSA-N -2 0 378.258 3.781 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2c(O)ccc3ccccc32)c1 ZINC001187581663 915375999 /nfs/dbraw/zinc/37/59/99/915375999.db2.gz OSDKGQNWURCBKA-UHFFFAOYSA-N -2 0 377.805 3.698 20 0 GHADRL CC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188312814 915879492 /nfs/dbraw/zinc/87/94/92/915879492.db2.gz XKKAMOYCOLQARD-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL CC[C@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189886919 916991978 /nfs/dbraw/zinc/99/19/78/916991978.db2.gz JVTOAPGSXPCIOB-KSSFIOAISA-N -2 0 385.397 3.562 20 0 GHADRL CC(C)Cc1ccc([C@H](C)NC(=O)c2ccccc2OP(=O)([O-])[O-])cc1 ZINC001189899335 916996289 /nfs/dbraw/zinc/99/62/89/916996289.db2.gz OQJNIAVIRQCRNT-AWEZNQCLSA-N -2 0 377.377 3.848 20 0 GHADRL O=C(NC1c2ccccc2-c2ccccc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189899692 916996406 /nfs/dbraw/zinc/99/64/06/916996406.db2.gz GFJWIAIYFRHBKE-UHFFFAOYSA-N -2 0 381.324 3.658 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)no2)cc1 ZINC001192107201 918411974 /nfs/dbraw/zinc/41/19/74/918411974.db2.gz YVDJNOJZFFXXPH-UHFFFAOYSA-N -2 0 378.450 3.540 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1F ZINC000751142995 928047824 /nfs/dbraw/zinc/04/78/24/928047824.db2.gz RFKVJVYGEKGSPA-UHFFFAOYSA-N -2 0 390.392 3.652 20 0 GHADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC000470437140 930614653 /nfs/dbraw/zinc/61/46/53/930614653.db2.gz GZAFCOCWWKUINV-UHFFFAOYSA-N -2 0 397.424 3.512 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)cc1C(=O)[O-] ZINC000799930334 933174085 /nfs/dbraw/zinc/17/40/85/933174085.db2.gz QKHXJZFILAPOTH-UHFFFAOYSA-N -2 0 381.425 3.636 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c(F)cc1Cl ZINC001259218789 960676670 /nfs/dbraw/zinc/67/66/70/960676670.db2.gz JHNUMPNXHCNHBB-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL CCOCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC001318765325 960921799 /nfs/dbraw/zinc/92/17/99/960921799.db2.gz PWCSWPUDYZQLHN-UHFFFAOYSA-N -2 0 387.816 3.515 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)c1 ZINC001324654268 961043427 /nfs/dbraw/zinc/04/34/27/961043427.db2.gz IGCKQZGRGOLJAK-UHFFFAOYSA-N -2 0 383.857 3.541 20 0 GHADRL CC(C)c1nc([N-]S(=O)(=O)c2c(F)cccc2Cl)sc1C(=O)[O-] ZINC001592030316 976734979 /nfs/dbraw/zinc/73/49/79/976734979.db2.gz LLTCTSVVBDYWRT-UHFFFAOYSA-N -2 0 378.834 3.558 20 0 GHADRL CC(C)c1sc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)nc1C(=O)[O-] ZINC001592118041 976922678 /nfs/dbraw/zinc/92/26/78/976922678.db2.gz XBQMIUARTYFBHE-UHFFFAOYSA-N -2 0 394.396 3.784 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1C1CC1 ZINC001595027330 979142466 /nfs/dbraw/zinc/14/24/66/979142466.db2.gz SKXBFOTVMNEHFN-SNVBAGLBSA-N -2 0 397.884 3.884 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1C1CC1 ZINC001595027329 979142658 /nfs/dbraw/zinc/14/26/58/979142658.db2.gz SKXBFOTVMNEHFN-JTQLQIEISA-N -2 0 397.884 3.884 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1C1CC1 ZINC001595027620 979146434 /nfs/dbraw/zinc/14/64/34/979146434.db2.gz ZMBZFJRDZUSJSF-GFCCVEGCSA-N -2 0 377.466 3.539 20 0 GHADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001599418951 997559617 /nfs/dbraw/zinc/55/96/17/997559617.db2.gz RHFYGKDGAZRBBU-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001155070860 1032399905 /nfs/dbraw/zinc/39/99/05/1032399905.db2.gz XYJWAGPMKQPRGP-UHFFFAOYSA-N -2 0 383.713 3.607 20 0 GHADRL O=C([O-])c1cc(Cl)c(Nc2nc[n-]c(=O)c2Br)c(Cl)c1 ZINC001214511580 1028768063 /nfs/dbraw/zinc/76/80/63/1028768063.db2.gz FATQBHXHRDUIGL-UHFFFAOYSA-N -2 0 378.997 3.693 20 0 GHADRL O=C([O-])Cc1ccc(F)c(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001216682024 1029729024 /nfs/dbraw/zinc/72/90/24/1029729024.db2.gz TZQRULNWQQDMTJ-UHFFFAOYSA-N -2 0 375.377 3.596 20 0 GHADRL CCOC(=O)c1ncoc1-c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242160744 1035837676 /nfs/dbraw/zinc/83/76/76/1035837676.db2.gz JDCXNCSXMZDHRD-UHFFFAOYSA-N -2 0 381.340 3.582 20 0 GHADRL Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c12 ZINC001242160592 1035837742 /nfs/dbraw/zinc/83/77/42/1035837742.db2.gz LYKLLCKCBYFETF-UHFFFAOYSA-N -2 0 391.383 3.753 20 0 GHADRL O=C([O-])c1cc(-c2ccc(F)cc2[N-]S(=O)(=O)c2ccccc2)cnc1F ZINC001244751674 1036627336 /nfs/dbraw/zinc/62/73/36/1036627336.db2.gz HKJZJUNKOYGWKT-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL O=c1cc(-c2ccccc2C(F)(F)F)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245911521 1037052945 /nfs/dbraw/zinc/05/29/45/1037052945.db2.gz BANOQZYSZUFXLR-UHFFFAOYSA-N -2 0 384.335 3.510 20 0 GHADRL COc1ccccc1[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C(F)(F)F ZINC001234334797 1039971574 /nfs/dbraw/zinc/97/15/74/1039971574.db2.gz HIGQNHFEUIIRCH-CQSZACIVSA-N -2 0 378.239 3.849 20 0 GHADRL O=C([O-])c1ccc2cccnc2c1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548206098 1043945739 /nfs/dbraw/zinc/94/57/39/1043945739.db2.gz XAWTYTVEBLQMQO-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259218954 1045015081 /nfs/dbraw/zinc/01/50/81/1045015081.db2.gz OLQBMNNRTVPAKN-UHFFFAOYSA-N -2 0 391.779 3.516 20 0 GHADRL Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001259524549 1045221800 /nfs/dbraw/zinc/22/18/00/1045221800.db2.gz XAIMSKQNZPBJPP-UHFFFAOYSA-N -2 0 391.470 3.504 20 0 GHADRL CC(C)(C)OC(=O)Nc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260189654 1045405128 /nfs/dbraw/zinc/40/51/28/1045405128.db2.gz UNRLVFSUFCZFQF-UHFFFAOYSA-N -2 0 392.433 3.533 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)Nc2c(Cl)cccc2OC(F)(F)F)c1 ZINC001260189938 1045405176 /nfs/dbraw/zinc/40/51/76/1045405176.db2.gz QIFRDPXUSCQIMQ-UHFFFAOYSA-N -2 0 395.742 3.738 20 0 GHADRL Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)cc1Br ZINC001260189467 1045405373 /nfs/dbraw/zinc/40/53/73/1045405373.db2.gz CSGMFIXSFJNDRN-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000575850237 1046257456 /nfs/dbraw/zinc/25/74/56/1046257456.db2.gz KXFQEQIGEKYVFE-UHFFFAOYSA-N -2 0 391.342 3.738 20 0 GHADRL COc1cc(/C=C/c2nc3ccccc3c(C(=O)[O-])c2C)ccc1OCC(=O)[O-] ZINC001317731238 1054239043 /nfs/dbraw/zinc/23/90/43/1054239043.db2.gz LKMCZIZZILSSPX-VQHVLOKHSA-N -2 0 393.395 3.884 20 0 GHADRL CCOCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1 ZINC001320139460 1055672702 /nfs/dbraw/zinc/67/27/02/1055672702.db2.gz DDOQTLYERBNDKX-UHFFFAOYSA-N -2 0 383.853 3.684 20 0 GHADRL O=C([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2[O-])cc1C(F)(F)F ZINC000436480044 450602446 /nfs/dbraw/zinc/60/24/46/450602446.db2.gz YQBPHVLJGUCWCC-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL C[C@](CC(=O)[O-])(C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000736551993 599981606 /nfs/dbraw/zinc/98/16/06/599981606.db2.gz YYGWESWMRBQEHI-LAUBAEHRSA-N -2 0 375.465 3.770 20 0 GHADRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(F)cc2C)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932393 599988322 /nfs/dbraw/zinc/98/83/22/599988322.db2.gz PRJSMKQWBOJDSR-GOSISDBHSA-N -2 0 392.427 3.594 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc3c(cc(C)cc3C)s2)c1C(=O)[O-] ZINC000738357037 600051780 /nfs/dbraw/zinc/05/17/80/600051780.db2.gz DBXLMJOULKBZCR-UHFFFAOYSA-N -2 0 380.447 3.622 20 0 GHADRL Cc1cccc2sc([N-]S(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])nc21 ZINC000738749642 600054307 /nfs/dbraw/zinc/05/43/07/600054307.db2.gz JFNDNPADMIFVAA-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2)s1 ZINC000738347224 600054459 /nfs/dbraw/zinc/05/44/59/600054459.db2.gz GWFLRSAPYWZOSE-UHFFFAOYSA-N -2 0 388.470 3.541 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)c2ccccc12 ZINC000737209961 600054911 /nfs/dbraw/zinc/05/49/11/600054911.db2.gz DLBDKRJFSRCMLT-UHFFFAOYSA-N -2 0 392.458 3.502 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc(Cc2ccccc2)cs1 ZINC000738347430 600055806 /nfs/dbraw/zinc/05/58/06/600055806.db2.gz MAGVNHDFYNDCQE-UHFFFAOYSA-N -2 0 388.470 3.541 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cn2)c1C(=O)[O-] ZINC000738746204 600103618 /nfs/dbraw/zinc/10/36/18/600103618.db2.gz VRDOVBDTNJDZDE-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000740122406 600127293 /nfs/dbraw/zinc/12/72/93/600127293.db2.gz CAJVWNVUBJNDDA-UHFFFAOYSA-N -2 0 392.380 3.538 20 0 GHADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccc1 ZINC000740290371 600170044 /nfs/dbraw/zinc/17/00/44/600170044.db2.gz REUCDXUFVSMITH-UHFFFAOYSA-N -2 0 382.850 3.691 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000484991967 600204081 /nfs/dbraw/zinc/20/40/81/600204081.db2.gz ZMNUJIQDQQOLHS-UHFFFAOYSA-N -2 0 386.429 3.521 20 0 GHADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738209739 600233928 /nfs/dbraw/zinc/23/39/28/600233928.db2.gz ACHXVDYCCQGWRG-UHFFFAOYSA-N -2 0 393.820 3.839 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)c(F)cc1F ZINC000740090168 600234343 /nfs/dbraw/zinc/23/43/43/600234343.db2.gz VYBIRZKGRVTVQP-UHFFFAOYSA-N -2 0 397.399 3.785 20 0 GHADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)nc21 ZINC000738580063 600422543 /nfs/dbraw/zinc/42/25/43/600422543.db2.gz XGFGPOIYQISKPU-UHFFFAOYSA-N -2 0 398.412 3.690 20 0 GHADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1Oc1ccncc1 ZINC000740147101 600424770 /nfs/dbraw/zinc/42/47/70/600424770.db2.gz ZFEULHAJKCMOJY-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000321164026 600482133 /nfs/dbraw/zinc/48/21/33/600482133.db2.gz QBHRUQRDTQOGGE-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccc3NC(=O)[O-])c2)n1 ZINC000737251696 600571771 /nfs/dbraw/zinc/57/17/71/600571771.db2.gz XFYXQAUVMMQWMT-UHFFFAOYSA-N -2 0 378.388 3.754 20 0 GHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000172605497 600898561 /nfs/dbraw/zinc/89/85/61/600898561.db2.gz ADWKQJROQRLWQA-UHFFFAOYSA-N -2 0 398.278 3.612 20 0 GHADRL Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccn3)cc2)c1 ZINC000832975286 600982895 /nfs/dbraw/zinc/98/28/95/600982895.db2.gz QNJKRQSWNGIYRJ-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013265392 601318795 /nfs/dbraw/zinc/31/87/95/601318795.db2.gz NRSPHZABKORCBH-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)nc21 ZINC000832925588 601358846 /nfs/dbraw/zinc/35/88/46/601358846.db2.gz QCCYMBPHBWJFSC-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)nc1 ZINC000832780873 601361734 /nfs/dbraw/zinc/36/17/34/601361734.db2.gz JWKSBISEYPLMKB-UHFFFAOYSA-N -2 0 393.273 3.609 20 0 GHADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000828870390 601501564 /nfs/dbraw/zinc/50/15/64/601501564.db2.gz PMYZUSIFIZLNRW-UHFFFAOYSA-N -2 0 389.886 3.594 20 0 GHADRL CCCCc1nnc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])s1 ZINC000829440819 601502221 /nfs/dbraw/zinc/50/22/21/601502221.db2.gz QOQSAYMRNVAKTQ-UHFFFAOYSA-N -2 0 397.503 3.594 20 0 GHADRL Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)[nH]n2)cc1C ZINC000444421457 601604063 /nfs/dbraw/zinc/60/40/63/601604063.db2.gz UWJMPLYMXHSDJH-UHFFFAOYSA-N -2 0 391.474 3.562 20 0 GHADRL Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)n[nH]2)cc1C ZINC000832873705 601604795 /nfs/dbraw/zinc/60/47/95/601604795.db2.gz LMPYUQQLYXHQGS-UHFFFAOYSA-N -2 0 391.474 3.562 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c(Cl)cc1F ZINC000069147759 601830655 /nfs/dbraw/zinc/83/06/55/601830655.db2.gz JCDUULIKTLQTDL-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000829373219 601843864 /nfs/dbraw/zinc/84/38/64/601843864.db2.gz MFBGCNMXUAGRCQ-UHFFFAOYSA-N -2 0 385.873 3.534 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)ccc1Cl ZINC000833304337 601844012 /nfs/dbraw/zinc/84/40/12/601844012.db2.gz YQVDTYZWJZRQQM-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000827033663 601862471 /nfs/dbraw/zinc/86/24/71/601862471.db2.gz NQVACZPVCYUVIA-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000830049490 602309279 /nfs/dbraw/zinc/30/92/79/602309279.db2.gz DLPIPJBDPZWAAU-BJMVGYQFSA-N -2 0 381.837 3.637 20 0 GHADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833476207 604989473 /nfs/dbraw/zinc/98/94/73/604989473.db2.gz ZLOROEOQVXLXQS-NSHDSACASA-N -2 0 385.873 3.643 20 0 GHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000185570114 605051415 /nfs/dbraw/zinc/05/14/15/605051415.db2.gz GPSRHCKCWAAWRP-UHFFFAOYSA-N -2 0 393.770 3.787 20 0 GHADRL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000833430228 605139049 /nfs/dbraw/zinc/13/90/49/605139049.db2.gz KSGGOSYDIBVFDN-RMKNXTFCSA-N -2 0 380.491 3.630 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc(C(=O)[O-])c1C ZINC000471128593 834849493 /nfs/dbraw/zinc/84/94/93/834849493.db2.gz DHLFVYSOZLHPBS-UHFFFAOYSA-N -2 0 389.351 3.543 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)ccc1F ZINC000471969983 844171832 /nfs/dbraw/zinc/17/18/32/844171832.db2.gz LIKWTXIPZMLVES-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000066813791 839079697 /nfs/dbraw/zinc/07/96/97/839079697.db2.gz BURNZOAHSJIQEP-UHFFFAOYSA-N -2 0 390.244 3.639 20 0 GHADRL CC(C)c1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2s1 ZINC000433500639 844524443 /nfs/dbraw/zinc/52/44/43/844524443.db2.gz YBJHHCPQVHWHHS-UHFFFAOYSA-N -2 0 392.458 3.624 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Nc2ccccc2)c[nH]1 ZINC000432495001 842690114 /nfs/dbraw/zinc/69/01/14/842690114.db2.gz POHWAGLILKGTKE-UHFFFAOYSA-N -2 0 391.836 3.911 20 0 GHADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000326474945 842861227 /nfs/dbraw/zinc/86/12/27/842861227.db2.gz FGFOMYAOKNDGJV-UHFFFAOYSA-N -2 0 390.244 3.639 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000430975244 843317108 /nfs/dbraw/zinc/31/71/08/843317108.db2.gz KKQSXPFOWVYSIC-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000433809425 845392895 /nfs/dbraw/zinc/39/28/95/845392895.db2.gz URIGYIWYOGOWFV-UHFFFAOYSA-N -2 0 383.853 3.842 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c(Cl)c1 ZINC000548541060 845434481 /nfs/dbraw/zinc/43/44/81/845434481.db2.gz BZSAAIQEZCXZRF-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c1 ZINC000327104050 848279695 /nfs/dbraw/zinc/27/96/95/848279695.db2.gz KXAWVPZPSCVWQQ-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL CCCOc1ccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])cc1 ZINC000505124715 850647839 /nfs/dbraw/zinc/64/78/39/850647839.db2.gz NSDDLZRCOYKTFI-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)cc1)C(=O)[O-] ZINC000434631445 851364464 /nfs/dbraw/zinc/36/44/64/851364464.db2.gz WUHBOQJGAXGFMD-MRXNPFEDSA-N -2 0 391.489 3.766 20 0 GHADRL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc(Br)c2[O-])c1 ZINC000436645724 852154757 /nfs/dbraw/zinc/15/47/57/852154757.db2.gz MRDWCVCOHGHGDV-UHFFFAOYSA-N -2 0 382.185 3.844 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000489287605 852188694 /nfs/dbraw/zinc/18/86/94/852188694.db2.gz LVVUNNKVKYPXJM-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000156366746 853714074 /nfs/dbraw/zinc/71/40/74/853714074.db2.gz YDYDZEPQWVVJCG-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CCC(C)C ZINC000520077886 853808135 /nfs/dbraw/zinc/80/81/35/853808135.db2.gz PWZYCPPITCQHTO-UHFFFAOYSA-N -2 0 377.462 3.783 20 0 GHADRL CCCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)c(C)c1 ZINC000068076139 854547112 /nfs/dbraw/zinc/54/71/12/854547112.db2.gz YQHDALUHQRENFR-UHFFFAOYSA-N -2 0 393.461 3.682 20 0 GHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc4c3CCCC4)c2n1 ZINC000589438736 854876102 /nfs/dbraw/zinc/87/61/02/854876102.db2.gz CWWLWAVWAJKOHA-UHFFFAOYSA-N -2 0 396.468 3.921 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1 ZINC000572695956 854964680 /nfs/dbraw/zinc/96/46/80/854964680.db2.gz OTSADNVUFVEFIL-UHFFFAOYSA-N -2 0 391.420 3.616 20 0 GHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cs1 ZINC000189720154 855183727 /nfs/dbraw/zinc/18/37/27/855183727.db2.gz PHXAHZQGCXFQAF-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C2CC2)cc1Cl ZINC000655603439 855191157 /nfs/dbraw/zinc/19/11/57/855191157.db2.gz XFCOGFWBXKAAFJ-UHFFFAOYSA-N -2 0 387.866 3.787 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1Cl ZINC000485007354 856001060 /nfs/dbraw/zinc/00/10/60/856001060.db2.gz WREIASJPLRVESJ-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)cc2)o1 ZINC000591679082 856202781 /nfs/dbraw/zinc/20/27/81/856202781.db2.gz CWWAEJOGQAPHQG-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)c1C ZINC000675284415 857127612 /nfs/dbraw/zinc/12/76/12/857127612.db2.gz AXZZTQKHBFPGCG-OAHLLOKOSA-N -2 0 399.472 3.608 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccn([C@@H](C)c3ccccc3)n2)cc1C(=O)[O-] ZINC000675284777 857136042 /nfs/dbraw/zinc/13/60/42/857136042.db2.gz LTIXLEANRSEDNA-HNNXBMFYSA-N -2 0 399.472 3.608 20 0 GHADRL CCc1cccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1CC ZINC000486091203 857543373 /nfs/dbraw/zinc/54/33/73/857543373.db2.gz WIBCYZGNSCMQKU-UHFFFAOYSA-N -2 0 397.880 3.972 20 0 GHADRL O=P([O-])([O-])OCCNc1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC001168590963 857739794 /nfs/dbraw/zinc/73/97/94/857739794.db2.gz DVWZNJXXSVKJFK-UHFFFAOYSA-N -2 0 384.166 3.542 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(Br)c1 ZINC000442843858 858161600 /nfs/dbraw/zinc/16/16/00/858161600.db2.gz KKYDCVHYPCRTLS-UHFFFAOYSA-N -2 0 396.218 3.694 20 0 GHADRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000574878453 858381892 /nfs/dbraw/zinc/38/18/92/858381892.db2.gz SBBTTYFHBUCHIX-VIFPVBQESA-N -2 0 390.661 3.525 20 0 GHADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(Cc2nc(C(=O)[O-])cs2)cc1 ZINC000543162226 858693859 /nfs/dbraw/zinc/69/38/59/858693859.db2.gz YTFVFIBQAMIEEM-UHFFFAOYSA-N -2 0 394.499 3.603 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cc3ccccc3o2)cccc1C(=O)[O-] ZINC000522384853 859305505 /nfs/dbraw/zinc/30/55/05/859305505.db2.gz WWBLDBOUNNFMIU-UHFFFAOYSA-N -2 0 375.402 3.719 20 0 GHADRL O=C([O-])c1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1C1(C(=O)[O-])CC1 ZINC000568266057 859523261 /nfs/dbraw/zinc/52/32/61/859523261.db2.gz IDEUXKCDYFLWMM-AWEZNQCLSA-N -2 0 382.412 3.583 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc(C(=O)[O-])c1 ZINC000673483298 859553099 /nfs/dbraw/zinc/55/30/99/859553099.db2.gz RQIKTZMZQRACHK-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000484588193 860149333 /nfs/dbraw/zinc/14/93/33/860149333.db2.gz LYECRIPDRSHZJS-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000671663185 860597863 /nfs/dbraw/zinc/59/78/63/860597863.db2.gz CGWXGBIGDLJOHR-UHFFFAOYSA-N -2 0 388.470 3.872 20 0 GHADRL Cc1cc(C(=O)Nc2cccc(COC(C)(C)C)c2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000474778028 860778944 /nfs/dbraw/zinc/77/89/44/860778944.db2.gz UMCZEEVMHCYPPL-UHFFFAOYSA-N -2 0 396.447 3.620 20 0 GHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000480193162 864215278 /nfs/dbraw/zinc/21/52/78/864215278.db2.gz GKHZKPSUBXYUSD-UHFFFAOYSA-N -2 0 396.273 3.871 20 0 GHADRL COc1cc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c(C)cc1C ZINC000478687200 866502007 /nfs/dbraw/zinc/50/20/07/866502007.db2.gz RPZCCWBORBHVNV-UHFFFAOYSA-N -2 0 391.489 3.665 20 0 GHADRL Cc1ccc(-c2ccc(Cl)cc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)o1 ZINC000478706325 866510710 /nfs/dbraw/zinc/51/07/10/866510710.db2.gz UWTPDIUYRRZSHH-UHFFFAOYSA-N -2 0 380.809 3.736 20 0 GHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000479334190 867608555 /nfs/dbraw/zinc/60/85/55/867608555.db2.gz KWJXRCBVUZNQBM-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c1 ZINC000535401576 868696140 /nfs/dbraw/zinc/69/61/40/868696140.db2.gz MNVKGTGQMUCFAD-UHFFFAOYSA-N -2 0 383.853 3.557 20 0 GHADRL Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000462365057 869317461 /nfs/dbraw/zinc/31/74/61/869317461.db2.gz YEBAWEDBPHAIGD-UHFFFAOYSA-N -2 0 378.837 3.639 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)cc1C(=O)[O-] ZINC000766328471 869494028 /nfs/dbraw/zinc/49/40/28/869494028.db2.gz YPUXITKDKGYUEN-UHFFFAOYSA-N -2 0 397.472 3.609 20 0 GHADRL Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cccc1C(=O)[O-] 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CC(C)(C)c1coc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])n1 ZINC001590526519 990135644 /nfs/dbraw/zinc/13/56/44/990135644.db2.gz AVEUHIGVKUBHQE-UHFFFAOYSA-N -2 0 393.248 3.778 20 0 GHADRL CC(C)(CCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1ccccc1 ZINC001590689407 990403782 /nfs/dbraw/zinc/40/37/82/990403782.db2.gz FKZMYQYBMKZNLE-UHFFFAOYSA-N -2 0 399.871 3.824 20 0 GHADRL CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598538193 992865844 /nfs/dbraw/zinc/86/58/44/992865844.db2.gz HQCWOQVOSFNNKR-CYBMUJFWSA-N -2 0 398.271 3.961 20 0 GHADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC001599330442 997739268 /nfs/dbraw/zinc/73/92/68/997739268.db2.gz YOXCQGSFHWAHSC-UHFFFAOYSA-N -2 0 381.837 3.725 20 0 GHADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001599040863 999116536 /nfs/dbraw/zinc/11/65/36/999116536.db2.gz ASIHVRUZWMLROU-SECBINFHSA-N -2 0 387.816 3.686 20 0 GHADRL COc1cc(C)c([N-]S(=O)(=O)c2csc3ccccc32)c(C(=O)[O-])c1 ZINC000560416008 1017618550 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380.347 3.672 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(C(=O)[O-])cc3F)cn2)cc1 ZINC001239253719 1042798112 /nfs/dbraw/zinc/79/81/12/1042798112.db2.gz BXCDIYOLIVKLRP-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)on1 ZINC001259212283 1045012049 /nfs/dbraw/zinc/01/20/49/1045012049.db2.gz DLONDCKODJDFDM-UHFFFAOYSA-N -2 0 390.820 3.555 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)Nc2ccnc3cc(C(F)(F)F)ccc32)c1 ZINC001260183361 1045404119 /nfs/dbraw/zinc/40/41/19/1045404119.db2.gz NASBMXJDAWDFGQ-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260208980 1045415657 /nfs/dbraw/zinc/41/56/57/1045415657.db2.gz MXWMIVORRBWFJF-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnc3cccc(Cl)c3c2)c1 ZINC001260209673 1045416088 /nfs/dbraw/zinc/41/60/88/1045416088.db2.gz CDDPKZNMAMFWQX-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL 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GHADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)cc1C(=O)[O-] ZINC000832891031 602176041 /nfs/dbraw/zinc/17/60/41/602176041.db2.gz IOLSALFXRFJCIO-ZDUSSCGKSA-N -2 0 392.477 3.774 20 0 GHADRL O=C([O-])NC1CCC(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000832277183 604117825 /nfs/dbraw/zinc/11/78/25/604117825.db2.gz GOGNTTIJRBUOEV-UHFFFAOYSA-N -2 0 391.649 3.573 20 0 GHADRL C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000825832236 605354256 /nfs/dbraw/zinc/35/42/56/605354256.db2.gz RNLXNDHNFVLOPO-DOMZBBRYSA-N -2 0 388.851 3.973 20 0 GHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000078902609 837457217 /nfs/dbraw/zinc/45/72/17/837457217.db2.gz DBJNSXYNUWTYEZ-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000512733631 845254114 /nfs/dbraw/zinc/25/41/14/845254114.db2.gz MMYDBRGKPXYSQS-UHFFFAOYSA-N -2 0 395.305 3.791 20 0 GHADRL CCc1nc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3SC)ccc2o1 ZINC000548524795 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383.853 3.842 20 0 GHADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000481958123 862550636 /nfs/dbraw/zinc/55/06/36/862550636.db2.gz REGBWAGHQAJXKG-UHFFFAOYSA-N -2 0 385.388 3.712 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)sc1C(=O)[O-] ZINC000588631441 854309673 /nfs/dbraw/zinc/30/96/73/854309673.db2.gz DDUHMNASZHOGRL-UHFFFAOYSA-N -2 0 391.417 3.508 20 0 GHADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000481960197 862552397 /nfs/dbraw/zinc/55/23/97/862552397.db2.gz CQENQAZTMNBAGC-UHFFFAOYSA-N -2 0 389.351 3.543 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c1 ZINC000542732142 855581802 /nfs/dbraw/zinc/58/18/02/855581802.db2.gz AVIQDMFZVTYCLI-UHFFFAOYSA-N -2 0 394.207 3.646 20 0 GHADRL N#Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)c1 ZINC000060376653 856284883 /nfs/dbraw/zinc/28/48/83/856284883.db2.gz INEIKWISKTUPCL-UHFFFAOYSA-N -2 0 394.408 3.850 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c(Cl)cc1C(=O)[O-] ZINC000485264183 856291790 /nfs/dbraw/zinc/29/17/90/856291790.db2.gz OYZVWUKORUPQAX-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1cccc(C)c1 ZINC000507986192 856774357 /nfs/dbraw/zinc/77/43/57/856774357.db2.gz NNIMOLZKFUNRTR-UHFFFAOYSA-N -2 0 399.472 3.551 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000013278920 857130205 /nfs/dbraw/zinc/13/02/05/857130205.db2.gz MWHCUIXSSKJDFO-UHFFFAOYSA-N -2 0 375.830 3.700 20 0 GHADRL C[C@@H](Oc1cccc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])c1)C(=O)[O-] ZINC000443447753 858690404 /nfs/dbraw/zinc/69/04/04/858690404.db2.gz SLRJZQZCNNJGOO-PLSXKVAHSA-N -2 0 390.395 3.864 20 0 GHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000327107257 859175027 /nfs/dbraw/zinc/17/50/27/859175027.db2.gz FQSRGKPGPOUWQM-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL CCCc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c(C(=O)[O-])c1 ZINC000522362863 859194964 /nfs/dbraw/zinc/19/49/64/859194964.db2.gz 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0 395.864 3.766 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1C(F)(F)F ZINC000581087506 840686163 /nfs/dbraw/zinc/68/61/63/840686163.db2.gz PNJJUBVIFJYMGW-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL O=C([O-])C/C(=C\c1ccc(OC(F)(F)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000730730055 861245431 /nfs/dbraw/zinc/24/54/31/861245431.db2.gz SAGGFSPLHBHGFZ-FMIVXFBMSA-N -2 0 389.310 3.899 20 0 GHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1)C(=O)[O-] ZINC000581875349 842353090 /nfs/dbraw/zinc/35/30/90/842353090.db2.gz WSUKOPCUZXMDLZ-VIFPVBQESA-N -2 0 389.807 3.682 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000324824856 842571504 /nfs/dbraw/zinc/57/15/04/842571504.db2.gz OKOBREGDPPFJKK-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)cc1 ZINC000318455326 842609395 /nfs/dbraw/zinc/60/93/95/842609395.db2.gz QFXYMHKOMVGDCB-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL COc1cc(C)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C(=O)[O-])c1 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-2 0 381.624 3.541 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccc1C(=O)[O-] ZINC000427208633 852836461 /nfs/dbraw/zinc/83/64/61/852836461.db2.gz HBVQEFDTPNXKBA-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000509584940 853014485 /nfs/dbraw/zinc/01/44/85/853014485.db2.gz DZVDNCWFACOEMF-UHFFFAOYSA-N -2 0 393.436 3.955 20 0 GHADRL CCc1ccc(S(=O)(=O)Nc2ccc(O[C@@H](C)CC)cc2)cc1C(=O)[O-] ZINC000440814423 853635959 /nfs/dbraw/zinc/63/59/59/853635959.db2.gz DAXSOTDLNHBIGN-ZDUSSCGKSA-N -2 0 377.462 3.925 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000484991561 855974294 /nfs/dbraw/zinc/97/42/94/855974294.db2.gz YNDFWCMMNYAZKS-UHFFFAOYSA-N -2 0 386.429 3.523 20 0 GHADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000591681730 856214654 /nfs/dbraw/zinc/21/46/54/856214654.db2.gz IIAGGXGANONSKO-UHFFFAOYSA-N -2 0 377.896 3.931 20 0 GHADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000032630278 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391.493 3.752 20 0 GHADRL Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3O)ccc21 ZINC000673629959 860776174 /nfs/dbraw/zinc/77/61/74/860776174.db2.gz ZHHKOQSRRCMAPM-UHFFFAOYSA-N -2 0 396.424 3.536 20 0 GHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000480219022 864282458 /nfs/dbraw/zinc/28/24/58/864282458.db2.gz PEPYBVOIUDFDJC-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000499270008 881842982 /nfs/dbraw/zinc/84/29/82/881842982.db2.gz FAYYEPKVIYTBTH-UHFFFAOYSA-N -2 0 397.472 3.609 20 0 GHADRL CCCn1ncc([N-]S(=O)(=O)c2cc3ccccc3c(C(=O)[O-])c2)c1C1CC1 ZINC000629300170 865394528 /nfs/dbraw/zinc/39/45/28/865394528.db2.gz DYEHEYXJAMNAGS-UHFFFAOYSA-N -2 0 399.472 3.823 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000392060830 866142193 /nfs/dbraw/zinc/14/21/93/866142193.db2.gz CFOKMMRJIAMBTN-UHFFFAOYSA-N -2 0 379.381 3.828 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C1CC1 ZINC000534972001 867850435 /nfs/dbraw/zinc/85/04/35/867850435.db2.gz KGNFRKZHCUWCDQ-CYBMUJFWSA-N -2 0 391.493 3.550 20 0 GHADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000156279195 868310802 /nfs/dbraw/zinc/31/08/02/868310802.db2.gz NNVGJVDQEHSZDV-UHFFFAOYSA-N -2 0 399.472 3.605 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000156344125 868332719 /nfs/dbraw/zinc/33/27/19/868332719.db2.gz VUPAUSBQVYBZGF-UHFFFAOYSA-N -2 0 391.342 3.738 20 0 GHADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC000524318867 868901533 /nfs/dbraw/zinc/90/15/33/868901533.db2.gz PHSSBPMZNFAGIF-UHFFFAOYSA-N -2 0 393.461 3.763 20 0 GHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)C(=O)[O-] ZINC000504674019 869513642 /nfs/dbraw/zinc/51/36/42/869513642.db2.gz UGMCJUTZYBXEIE-LBPRGKRZSA-N -2 0 388.470 3.601 20 0 GHADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000745976132 869923198 /nfs/dbraw/zinc/92/31/98/869923198.db2.gz DPMAVOXNIWSIRF-UHFFFAOYSA-N -2 0 397.424 3.512 20 0 GHADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)on1 ZINC001192401795 870373288 /nfs/dbraw/zinc/37/32/88/870373288.db2.gz SVIFIXMURGQHMD-UHFFFAOYSA-N -2 0 379.221 3.604 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2csc3ncccc23)c(Cl)cc1F ZINC001193972602 871411207 /nfs/dbraw/zinc/41/12/07/871411207.db2.gz FKZBFBBFBDPMMD-UHFFFAOYSA-N -2 0 386.813 3.588 20 0 GHADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196075667 872863941 /nfs/dbraw/zinc/86/39/41/872863941.db2.gz SMYZDCNPPYCKBH-UHFFFAOYSA-N -2 0 398.440 3.646 20 0 GHADRL COc1c(O)cccc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196097005 872877599 /nfs/dbraw/zinc/87/75/99/872877599.db2.gz LMFVSTZNGURRJH-UHFFFAOYSA-N -2 0 399.424 3.567 20 0 GHADRL CCc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)cc1 ZINC000769622375 874202343 /nfs/dbraw/zinc/20/23/43/874202343.db2.gz XZJCFBUBWPQPQY-UHFFFAOYSA-N -2 0 390.280 3.572 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C(C)C)cc1C(=O)[O-] ZINC000192154036 882811771 /nfs/dbraw/zinc/81/17/71/882811771.db2.gz IUYUKIAVEKMYIV-UHFFFAOYSA-N -2 0 399.472 3.803 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc2ccccc21 ZINC000769863602 874308369 /nfs/dbraw/zinc/30/83/69/874308369.db2.gz YDEATGCHFRNXOM-UHFFFAOYSA-N -2 0 384.388 3.959 20 0 GHADRL O=S(=O)([N-]c1ccc([S-])cc1)c1cc(Br)cnc1Cl ZINC001198529156 874461829 /nfs/dbraw/zinc/46/18/29/874461829.db2.gz YQYLXSGZLYXQSS-UHFFFAOYSA-N -2 0 379.688 3.587 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccnc1Oc1ccc(F)cc1 ZINC001198740605 874591734 /nfs/dbraw/zinc/59/17/34/874591734.db2.gz KLGJRXYNGBLRPS-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776504769 877301331 /nfs/dbraw/zinc/30/13/31/877301331.db2.gz UOVBEHHQKOTQAO-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)ccc2C)n1 ZINC000477461078 877667200 /nfs/dbraw/zinc/66/72/00/877667200.db2.gz FTXBTAVNTIWQMS-UHFFFAOYSA-N -2 0 392.458 3.827 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c(C(=O)[O-])c1 ZINC000110280817 877979186 /nfs/dbraw/zinc/97/91/86/877979186.db2.gz BGIMMBFBSCLUKJ-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000530924051 878746866 /nfs/dbraw/zinc/74/68/66/878746866.db2.gz JFTKXVXFKUGDCQ-UHFFFAOYSA-N -2 0 381.475 3.784 20 0 GHADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c2ccccc2n1C ZINC000556347470 884551378 /nfs/dbraw/zinc/55/13/78/884551378.db2.gz JUAVYSKCYIJENK-UHFFFAOYSA-N -2 0 378.837 3.639 20 0 GHADRL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000806633619 884887454 /nfs/dbraw/zinc/88/74/54/884887454.db2.gz YOUUTSHCCCFLMN-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C1CC1 ZINC000762477176 886266279 /nfs/dbraw/zinc/26/62/79/886266279.db2.gz UUGDONIAKGBPMY-SNVBAGLBSA-N -2 0 397.884 3.884 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2O)cc1C(=O)[O-] ZINC001184699236 913368110 /nfs/dbraw/zinc/36/81/10/913368110.db2.gz NXXOLSBSJVNOBQ-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC000917763408 892545828 /nfs/dbraw/zinc/54/58/28/892545828.db2.gz YNCJCCFNQKSZGF-UHFFFAOYSA-N -2 0 383.853 3.936 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC(C)C)cc1C(=O)[O-] ZINC000564385163 894922818 /nfs/dbraw/zinc/92/28/18/894922818.db2.gz JBHQWCSJLHNMNP-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186184248 914346923 /nfs/dbraw/zinc/34/69/23/914346923.db2.gz QLHGXEHEXJBAPH-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL Cc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1C(=O)[O-] ZINC000570831304 899624770 /nfs/dbraw/zinc/62/47/70/899624770.db2.gz GCNBWWLKEDMOQG-UHFFFAOYSA-N -2 0 379.743 3.565 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)nn1C1CCCCC1 ZINC000577908850 903333649 /nfs/dbraw/zinc/33/36/49/903333649.db2.gz NKBYEISMJOKYMA-UHFFFAOYSA-N -2 0 383.495 3.566 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2cc3ccccc3c(C(=O)[O-])c2)c1C ZINC000629288655 906677175 /nfs/dbraw/zinc/67/71/75/906677175.db2.gz DWKLEWFTXRRZCR-UHFFFAOYSA-N -2 0 387.461 3.644 20 0 GHADRL CCOC(=O)c1coc(-c2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2)n1 ZINC001176243125 908001346 /nfs/dbraw/zinc/00/13/46/908001346.db2.gz DAMRVNFBCOZWOJ-UHFFFAOYSA-N -2 0 396.355 3.658 20 0 GHADRL CC(C)(C)OC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1F ZINC001176243688 908002644 /nfs/dbraw/zinc/00/26/44/908002644.db2.gz BHQGISFAGDWWRX-UHFFFAOYSA-N -2 0 375.352 3.921 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c3cccnc23)c1 ZINC001187581520 915374880 /nfs/dbraw/zinc/37/48/80/915374880.db2.gz KEMRKAFUURISOI-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c1 ZINC001187582484 915376934 /nfs/dbraw/zinc/37/69/34/915376934.db2.gz SOGGVWBPTCRKMF-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc3ncoc32)ccc1Cl ZINC001188323344 915887835 /nfs/dbraw/zinc/88/78/35/915887835.db2.gz OCJHPLBWMZNZJQ-UHFFFAOYSA-N -2 0 387.200 3.634 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)c(C)c1C(=O)[O-] ZINC000296821523 918801174 /nfs/dbraw/zinc/80/11/74/918801174.db2.gz VSUBYNXUIJCLST-UHFFFAOYSA-N -2 0 391.493 3.584 20 0 GHADRL O=C([O-])CCCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2[O-])SC1=S ZINC000013351889 919322074 /nfs/dbraw/zinc/32/20/74/919322074.db2.gz CLNMONJVGOVAJZ-BJMVGYQFSA-N -2 0 392.285 3.765 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c1 ZINC000800837395 920512155 /nfs/dbraw/zinc/51/21/55/920512155.db2.gz IAWUAMWWYASKDN-UHFFFAOYSA-N -2 0 393.848 3.585 20 0 GHADRL Cc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)s1 ZINC000677234180 924294452 /nfs/dbraw/zinc/29/44/52/924294452.db2.gz PGMMPDKBZSPXHU-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000677234138 924294520 /nfs/dbraw/zinc/29/45/20/924294520.db2.gz NYGBEPBHCLFCCA-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000680022835 925333160 /nfs/dbraw/zinc/33/31/60/925333160.db2.gz RZSAEIQFBULFFG-AWEZNQCLSA-N -2 0 384.457 3.922 20 0 GHADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1C ZINC000759110082 930276923 /nfs/dbraw/zinc/27/69/23/930276923.db2.gz WQJBCIVRFNZJAV-UHFFFAOYSA-N -2 0 381.837 3.658 20 0 GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000546623517 930303377 /nfs/dbraw/zinc/30/33/77/930303377.db2.gz BDZYDWANCCUGMG-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000560006881 933015219 /nfs/dbraw/zinc/01/52/19/933015219.db2.gz CIKXLTSVHHWHHM-VIFPVBQESA-N -2 0 389.807 3.997 20 0 GHADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000325856939 971249375 /nfs/dbraw/zinc/24/93/75/971249375.db2.gz 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GHADRL CC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188313838 915880687 /nfs/dbraw/zinc/88/06/87/915880687.db2.gz AEKAXXLERRASQG-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL O=C(NCc1cccc(-c2cccs2)c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189899920 916996007 /nfs/dbraw/zinc/99/60/07/916996007.db2.gz XXUUEOPRDPXYEM-UHFFFAOYSA-N -2 0 389.369 3.817 20 0 GHADRL O=C(NC1(c2cccc3ccccc32)CC1)c1ccccc1OP(=O)([O-])[O-] ZINC001189899107 916996392 /nfs/dbraw/zinc/99/63/92/916996392.db2.gz KKUOSVCQIHDWJT-UHFFFAOYSA-N -2 0 383.340 3.730 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cc1 ZINC001192106754 918412555 /nfs/dbraw/zinc/41/25/55/918412555.db2.gz PWFBCXJVHJOWLS-UHFFFAOYSA-N -2 0 382.441 3.567 20 0 GHADRL O=S(=O)([N-]c1ccc(-c2nc(C3CCC3)no2)c([O-])c1)c1cccs1 ZINC000680691005 925569372 /nfs/dbraw/zinc/56/93/72/925569372.db2.gz BJVRSHMAGHEQFF-UHFFFAOYSA-N -2 0 377.447 3.572 20 0 GHADRL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000410401661 925613649 /nfs/dbraw/zinc/61/36/49/925613649.db2.gz NMKCWVLUOMJHNE-UHFFFAOYSA-N -2 0 381.425 3.729 20 0 GHADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000681561397 925851273 /nfs/dbraw/zinc/85/12/73/925851273.db2.gz FVTNTZRJDSNKJL-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000467755699 929376613 /nfs/dbraw/zinc/37/66/13/929376613.db2.gz ZJXCGUOGAGFJSP-UHFFFAOYSA-N -2 0 387.413 3.763 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000467757506 929378930 /nfs/dbraw/zinc/37/89/30/929378930.db2.gz FAMOMTWSEWAKPT-UHFFFAOYSA-N -2 0 379.434 3.546 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1Cl ZINC000753779682 929533291 /nfs/dbraw/zinc/53/32/91/929533291.db2.gz MYTPLNCRTJGCHO-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546782554 930430664 /nfs/dbraw/zinc/43/06/64/930430664.db2.gz VHQYDGXQBDNIGM-UHFFFAOYSA-N -2 0 394.630 3.503 20 0 GHADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)s1 ZINC000777661023 932736448 /nfs/dbraw/zinc/73/64/48/932736448.db2.gz LZYWYXJVECSWOH-UHFFFAOYSA-N -2 0 395.289 3.820 20 0 GHADRL Cc1c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)sc2cccc(F)c12 ZINC001116249101 933434358 /nfs/dbraw/zinc/43/43/58/933434358.db2.gz WCNMPGQKEDSXRN-UHFFFAOYSA-N -2 0 383.397 3.987 20 0 GHADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000327053371 971361271 /nfs/dbraw/zinc/36/12/71/971361271.db2.gz XZRNFQYDZFZEFX-UHFFFAOYSA-N -2 0 383.853 3.773 20 0 GHADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(Br)c(F)cc2[O-])c2ccccc21 ZINC001574655751 962456134 /nfs/dbraw/zinc/45/61/34/962456134.db2.gz GFIJFLGGBZVXQI-SNVBAGLBSA-N -2 0 394.196 3.513 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC001591761468 975850340 /nfs/dbraw/zinc/85/03/40/975850340.db2.gz LYZIIYAJQRFQHR-NRFANRHFSA-N -2 0 385.416 3.543 20 0 GHADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC001597791752 989325363 /nfs/dbraw/zinc/32/53/63/989325363.db2.gz RZAUEDZXCCOKFR-UHFFFAOYSA-N -2 0 386.838 3.604 20 0 GHADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC001597791760 989325707 /nfs/dbraw/zinc/32/57/07/989325707.db2.gz SDIKCGOWMOBAEA-UHFFFAOYSA-N -2 0 377.390 3.656 20 0 GHADRL C[C@H](O)c1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])ccc1F ZINC001593477100 995415176 /nfs/dbraw/zinc/41/51/76/995415176.db2.gz JAOLYTUOSKKAJS-VIFPVBQESA-N -2 0 395.433 3.593 20 0 GHADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001599421319 997599497 /nfs/dbraw/zinc/59/94/97/997599497.db2.gz VTVDGIDIISBCKN-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL CC1=C(C(=O)[O-])[C@@H](c2ccccc2Cl)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC001594097463 998071537 /nfs/dbraw/zinc/07/15/37/998071537.db2.gz BDXPHFWTLVFSDT-MRXNPFEDSA-N -2 0 386.791 3.668 20 0 GHADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001599460557 998265759 /nfs/dbraw/zinc/26/57/59/998265759.db2.gz BTBRIJFRDGHTRO-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001599377609 998513889 /nfs/dbraw/zinc/51/38/89/998513889.db2.gz GOJYIGCCPCJRTB-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2SC(F)F)c1 ZINC000749142098 1021756772 /nfs/dbraw/zinc/75/67/72/1021756772.db2.gz HSCBZMXFYQJQGH-UHFFFAOYSA-N -2 0 377.365 3.639 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1F ZINC000749142741 1021757539 /nfs/dbraw/zinc/75/75/39/1021757539.db2.gz RAPPFPUIIFHRRU-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL CC(C)Oc1ccc(COCCCC[P@@](=O)([O-])O)cc1Br ZINC001225019647 1031213930 /nfs/dbraw/zinc/21/39/30/1031213930.db2.gz ZJIPHKNUWYCYIC-UHFFFAOYSA-N -2 0 381.203 3.711 20 0 GHADRL O=C([O-])c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)cs1 ZINC001206264731 1033779729 /nfs/dbraw/zinc/77/97/29/1033779729.db2.gz DJJPARQBUFRTFH-UHFFFAOYSA-N -2 0 396.396 3.587 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(F)c(C(=O)[O-])c3)cn2)cc1 ZINC001241244865 1035543995 /nfs/dbraw/zinc/54/39/95/1035543995.db2.gz FQQRJCDYJDWYPN-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nc(-c3cccnc3)nc3sccc32)c1 ZINC001242161114 1035837607 /nfs/dbraw/zinc/83/76/07/1035837607.db2.gz WFQYXONIMNXPEO-UHFFFAOYSA-N -2 0 377.381 3.817 20 0 GHADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1 ZINC001242160624 1035837858 /nfs/dbraw/zinc/83/78/58/1035837858.db2.gz PHJBKQNDYKKBIN-UHFFFAOYSA-N -2 0 389.289 3.621 20 0 GHADRL O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2ccc(F)cc2[O-])nc1 ZINC001242217037 1035866222 /nfs/dbraw/zinc/86/62/22/1035866222.db2.gz JBGLILBKZDLSJU-UHFFFAOYSA-N -2 0 380.347 3.672 20 0 GHADRL O=C([O-])c1cccc(-c2ncccc2S(=O)(=O)[N-]c2cccc(F)c2)c1F ZINC001242378709 1035897255 /nfs/dbraw/zinc/89/72/55/1035897255.db2.gz HVPYTVCIUMPVRF-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2c([O-])cccc2F)nc1 ZINC001245653689 1036966058 /nfs/dbraw/zinc/96/60/58/1036966058.db2.gz KCDUOTSSPRBKJZ-UHFFFAOYSA-N -2 0 380.347 3.672 20 0 GHADRL CC(C)Oc1ccc(-c2nnc(-c3ccccc3OP(=O)([O-])[O-])o2)cc1 ZINC001256926974 1043754794 /nfs/dbraw/zinc/75/47/94/1043754794.db2.gz MIAQSOYLVWFNDA-UHFFFAOYSA-N -2 0 376.305 3.662 20 0 GHADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC001259069167 1044946025 /nfs/dbraw/zinc/94/60/25/1044946025.db2.gz NKKHRTWCUZKNQO-OAHLLOKOSA-N -2 0 383.416 3.980 20 0 GHADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)on1 ZINC001259213232 1045014203 /nfs/dbraw/zinc/01/42/03/1045014203.db2.gz YCHZUBKEQDNISW-QMMMGPOBSA-N -2 0 390.820 3.870 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)c(F)cc1Cl ZINC001259220347 1045018245 /nfs/dbraw/zinc/01/82/45/1045018245.db2.gz DNXBCWCCXMBJOQ-UHFFFAOYSA-N -2 0 383.828 3.857 20 0 GHADRL COc1ccc(-c2ccccc2)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260189565 1045405166 /nfs/dbraw/zinc/40/51/66/1045405166.db2.gz LRNWXZIGCPGQQP-UHFFFAOYSA-N -2 0 383.425 3.861 20 0 GHADRL Cc1c(=O)[n-]n(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260208742 1045414894 /nfs/dbraw/zinc/41/48/94/1045414894.db2.gz VUUCPHRUMGSUFS-UHFFFAOYSA-N -2 0 399.806 3.619 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nc(Cl)c(Cl)cc2Cl)c1 ZINC001260210185 1045415599 /nfs/dbraw/zinc/41/55/99/1045415599.db2.gz RSVOFPNWUFYHOV-UHFFFAOYSA-N -2 0 399.614 3.680 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)ccn2)c1 ZINC001260209349 1045415958 /nfs/dbraw/zinc/41/59/58/1045415958.db2.gz ZUQJCONKEKERKT-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL Cc1nc2cc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2s1 ZINC001260216124 1045417723 /nfs/dbraw/zinc/41/77/23/1045417723.db2.gz SPDKAOYXYQVYTE-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1C#N ZINC000392324796 1047606210 /nfs/dbraw/zinc/60/62/10/1047606210.db2.gz PPPUQKSHGUDBLU-UHFFFAOYSA-N -2 0 385.228 3.673 20 0 GHADRL CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)ccc2o1 ZINC000736260694 599965566 /nfs/dbraw/zinc/96/55/66/599965566.db2.gz IECKOZCDWFKBLU-UHFFFAOYSA-N -2 0 378.406 3.508 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(OC(F)F)c1 ZINC000740155855 600237803 /nfs/dbraw/zinc/23/78/03/600237803.db2.gz YAGMOJDWJMIIBM-UHFFFAOYSA-N -2 0 383.781 3.502 20 0 GHADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000740000168 600301106 /nfs/dbraw/zinc/30/11/06/600301106.db2.gz GJTCSYVUYMDCHR-UHFFFAOYSA-N -2 0 375.233 3.562 20 0 GHADRL C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000827455150 600724203 /nfs/dbraw/zinc/72/42/03/600724203.db2.gz KNNVBGQCJHRIDM-LBPRGKRZSA-N -2 0 392.249 3.518 20 0 GHADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)nc21 ZINC000832956457 600828488 /nfs/dbraw/zinc/82/84/88/600828488.db2.gz BYGPQLPEZQUPJW-UHFFFAOYSA-N -2 0 376.459 3.721 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)ccn2)c1C(=O)[O-] ZINC000832972553 601365704 /nfs/dbraw/zinc/36/57/04/601365704.db2.gz FQUJOFGWTGRJBW-UHFFFAOYSA-N -2 0 396.468 3.674 20 0 GHADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000321192319 601770957 /nfs/dbraw/zinc/77/09/57/601770957.db2.gz SPSDLEVTBOVIBV-UHFFFAOYSA-N -2 0 395.289 3.658 20 0 GHADRL CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)c1 ZINC000828764341 601839820 /nfs/dbraw/zinc/83/98/20/601839820.db2.gz HYJFYLSXFWTNFV-SNVBAGLBSA-N -2 0 386.520 3.841 20 0 GHADRL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833059955 601965073 /nfs/dbraw/zinc/96/50/73/601965073.db2.gz HMMZRWRDXVVXKJ-UHFFFAOYSA-N -2 0 397.884 3.620 20 0 GHADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c2ccccc12 ZINC000833259087 602124707 /nfs/dbraw/zinc/12/47/07/602124707.db2.gz HNVKGGARUMIGDD-UHFFFAOYSA-N -2 0 397.408 3.850 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3C)s2)cs1 ZINC000548210870 602195064 /nfs/dbraw/zinc/19/50/64/602195064.db2.gz QPWUURGXJIOWHY-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000833233188 604270013 /nfs/dbraw/zinc/27/00/13/604270013.db2.gz GNOZWMHLEOQYGN-UHFFFAOYSA-N -2 0 387.741 3.580 20 0 GHADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833505622 604744504 /nfs/dbraw/zinc/74/45/04/604744504.db2.gz QLKWSLDTMVMWSG-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000484587487 604804253 /nfs/dbraw/zinc/80/42/53/604804253.db2.gz KSJTVSDHYNMYSA-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c1 ZINC000833747601 605119489 /nfs/dbraw/zinc/11/94/89/605119489.db2.gz ZPLOHLCAUPXIPR-UHFFFAOYSA-N -2 0 385.239 3.648 20 0 GHADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000160232034 834819007 /nfs/dbraw/zinc/81/90/07/834819007.db2.gz VRVIYTOLTGJSHS-UHFFFAOYSA-N -2 0 395.305 3.569 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1C(=O)[O-] ZINC000323088167 839826258 /nfs/dbraw/zinc/82/62/58/839826258.db2.gz WZJZPZROVDWZEY-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433499534 844523491 /nfs/dbraw/zinc/52/34/91/844523491.db2.gz ZSLCHVGZBYLRCN-UHFFFAOYSA-N -2 0 393.461 3.515 20 0 GHADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000319222184 841422821 /nfs/dbraw/zinc/42/28/21/841422821.db2.gz ISGDGDGWAVFNHJ-UHFFFAOYSA-N -2 0 398.278 3.819 20 0 GHADRL CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000548524497 845343070 /nfs/dbraw/zinc/34/30/70/845343070.db2.gz PSSNMYYQOISCOI-UHFFFAOYSA-N -2 0 391.445 3.571 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c(C)c1C(=O)[O-] ZINC000512776769 845490939 /nfs/dbraw/zinc/49/09/39/845490939.db2.gz TTXIWHFCHXVGKP-UHFFFAOYSA-N -2 0 389.351 3.701 20 0 GHADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000548611493 845793505 /nfs/dbraw/zinc/79/35/05/845793505.db2.gz TYANMWUNCJFXEM-CQSZACIVSA-N -2 0 384.457 3.607 20 0 GHADRL Cc1cccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000515696927 851372212 /nfs/dbraw/zinc/37/22/12/851372212.db2.gz BXGHJNZTEVFSFM-UHFFFAOYSA-N -2 0 398.440 3.990 20 0 GHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cs1 ZINC000437665267 853391195 /nfs/dbraw/zinc/39/11/95/853391195.db2.gz GWOORJBFRFPDLI-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000440823593 853645656 /nfs/dbraw/zinc/64/56/56/853645656.db2.gz RUMAMPJFYZEXEH-UHFFFAOYSA-N -2 0 383.853 3.800 20 0 GHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc4c3CCC4)c2n1 ZINC000589438950 854876215 /nfs/dbraw/zinc/87/62/15/854876215.db2.gz INXQOVUWVFTOOV-UHFFFAOYSA-N -2 0 382.441 3.531 20 0 GHADRL COc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)c1 ZINC000590695307 855551014 /nfs/dbraw/zinc/55/10/14/855551014.db2.gz KXHPWFYXFMDHJE-UHFFFAOYSA-N -2 0 399.424 3.987 20 0 GHADRL CCCc1ccccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485265308 856292739 /nfs/dbraw/zinc/29/27/39/856292739.db2.gz UITAEDYJKYQTIJ-UHFFFAOYSA-N -2 0 383.853 3.800 20 0 GHADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485392537 856434133 /nfs/dbraw/zinc/43/41/33/856434133.db2.gz ZJEBPRKUIQMAQD-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507969348 856749134 /nfs/dbraw/zinc/74/91/34/856749134.db2.gz LERMMXOJGAXOSH-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058488442 856898922 /nfs/dbraw/zinc/89/89/22/856898922.db2.gz JKYYMPWPBGCGBF-UHFFFAOYSA-N -2 0 390.244 3.891 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)cc1C(=O)[O-] ZINC000675284778 857135619 /nfs/dbraw/zinc/13/56/19/857135619.db2.gz LTIXLEANRSEDNA-OAHLLOKOSA-N -2 0 399.472 3.608 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(F)(F)F)c1 ZINC000064375030 857701522 /nfs/dbraw/zinc/70/15/22/857701522.db2.gz FGKKDDHCAGLQIU-UHFFFAOYSA-N -2 0 395.380 3.665 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000521530353 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O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C3CCCCC3)no2)c1 ZINC001187545607 915343795 /nfs/dbraw/zinc/34/37/95/915343795.db2.gz REIJPHRODIJYTB-UHFFFAOYSA-N -2 0 384.841 3.875 20 0 GHADRL Cc1cccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)nc12 ZINC001187545454 915344134 /nfs/dbraw/zinc/34/41/34/915344134.db2.gz MRBMDDDAMKVBSF-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCc2ccccc2)cc1 ZINC000650221213 916813206 /nfs/dbraw/zinc/81/32/06/916813206.db2.gz BUIQYVSXXZUHSF-UHFFFAOYSA-N -2 0 397.452 3.694 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)cc1 ZINC001192109649 918415820 /nfs/dbraw/zinc/41/58/20/918415820.db2.gz IXDQBIQSYTWVKJ-UHFFFAOYSA-N -2 0 382.441 3.567 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c1F ZINC000749142863 924045698 /nfs/dbraw/zinc/04/56/98/924045698.db2.gz RJADHYGHOAEAFE-UHFFFAOYSA-N -2 0 392.408 3.898 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1F ZINC000749146491 924050684 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399.852 3.555 20 0 GHADRL Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)ccc2s1 ZINC000781117139 930705835 /nfs/dbraw/zinc/70/58/35/930705835.db2.gz NNKPTLJQYYSJFM-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1Cl ZINC000561694255 934374912 /nfs/dbraw/zinc/37/49/12/934374912.db2.gz AFEJOWVJHKAJPO-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1nc[nH]c1C(F)(F)F ZINC001137943025 935883755 /nfs/dbraw/zinc/88/37/55/935883755.db2.gz MDEUCURDRTZZIM-UHFFFAOYSA-N -2 0 384.539 3.802 20 0 GHADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1SC ZINC000324905008 971167569 /nfs/dbraw/zinc/16/75/69/971167569.db2.gz WBNZRMPPGMZJTD-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000327892672 971431968 /nfs/dbraw/zinc/43/19/68/971431968.db2.gz VQFMANDQNYHPCW-QMMMGPOBSA-N -2 0 396.515 3.614 20 0 GHADRL O=Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])c4ccccc43)c([O-])c2)o1 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GHADRL C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833542852 605187353 /nfs/dbraw/zinc/18/73/53/605187353.db2.gz LFGBFKNXLTZFGG-CYBMUJFWSA-N -2 0 387.413 3.919 20 0 GHADRL Cc1sc([N-]S(=O)(=O)c2ccc(Br)s2)c(C(=O)[O-])c1C ZINC000833758434 605302845 /nfs/dbraw/zinc/30/28/45/605302845.db2.gz XTHBWDDZDCRMNS-UHFFFAOYSA-N -2 0 396.309 3.688 20 0 GHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833751451 605331535 /nfs/dbraw/zinc/33/15/35/605331535.db2.gz ZGYVDQUQWAMOFQ-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL O=C([O-])Nc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c(Cl)c1 ZINC000834259084 606067436 /nfs/dbraw/zinc/06/74/36/606067436.db2.gz WASOLIBKWQITTJ-ZDUSSCGKSA-N -2 0 383.187 3.639 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc(C(=O)[O-])c1C ZINC000471125948 834829543 /nfs/dbraw/zinc/82/95/43/834829543.db2.gz WSEGPRBROUHKDB-UHFFFAOYSA-N -2 0 375.446 3.591 20 0 GHADRL O=C([N-]NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1c([O-])cc(F)cc1F ZINC000066042592 836627573 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Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)c(C)c1 ZINC000467742799 843563810 /nfs/dbraw/zinc/56/38/10/843563810.db2.gz BEVQCRLOIMKWJY-UHFFFAOYSA-N -2 0 388.401 3.583 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)ccc1C(=O)[O-] ZINC000432758556 843726138 /nfs/dbraw/zinc/72/61/38/843726138.db2.gz FZPJOXQWYLNVFA-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c1 ZINC000512780920 845498967 /nfs/dbraw/zinc/49/89/67/845498967.db2.gz JDDKKWVEZDUGJA-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1)C(=O)[O-] ZINC000504703759 850247549 /nfs/dbraw/zinc/24/75/49/850247549.db2.gz PPGMWYZDDPSIEE-VIFPVBQESA-N -2 0 389.857 3.845 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1F ZINC000435483507 850564556 /nfs/dbraw/zinc/56/45/56/850564556.db2.gz KZKDJZDXKSBSSS-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000438770431 852829015 /nfs/dbraw/zinc/82/90/15/852829015.db2.gz DVFCZVSGCUOXSA-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cs1 ZINC000437668124 853396307 /nfs/dbraw/zinc/39/63/07/853396307.db2.gz RSOWFAZAAKJVOI-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)cc1C(=O)[O-] ZINC000589437200 854876194 /nfs/dbraw/zinc/87/61/94/854876194.db2.gz BAOIHSAGWAMLAY-UHFFFAOYSA-N -2 0 381.425 3.729 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1C ZINC000486095861 857423037 /nfs/dbraw/zinc/42/30/37/857423037.db2.gz OVAGAQGFKVWDAX-UHFFFAOYSA-N -2 0 389.351 3.701 20 0 GHADRL O=P([O-])([O-])OCCNc1ccc(Oc2ccc(Br)cc2)cc1 ZINC001168591613 857772196 /nfs/dbraw/zinc/77/21/96/857772196.db2.gz DSDSPOFTUNIRAD-UHFFFAOYSA-N -2 0 388.154 3.763 20 0 GHADRL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)cc2O1 ZINC000442843678 858162557 /nfs/dbraw/zinc/16/25/57/858162557.db2.gz DNKVAAKMMKSEMJ-SFHVURJKSA-N -2 0 395.408 3.531 20 0 GHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000543164093 858693813 /nfs/dbraw/zinc/69/38/13/858693813.db2.gz KQGOLZCBMWESQH-LLVKDONJSA-N -2 0 376.459 3.675 20 0 GHADRL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000498501226 859874764 /nfs/dbraw/zinc/87/47/64/859874764.db2.gz PRUVOSDZNHZAJL-UHFFFAOYSA-N -2 0 385.388 3.641 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000484975858 860550470 /nfs/dbraw/zinc/55/04/70/860550470.db2.gz ZSMBYDMJLYZRMV-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1OC ZINC000484979051 860567724 /nfs/dbraw/zinc/56/77/24/860567724.db2.gz GYFCQUOWQNZCQY-UHFFFAOYSA-N -2 0 399.490 3.562 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000484984156 860573696 /nfs/dbraw/zinc/57/36/96/860573696.db2.gz DKUVWLZIRZFVIB-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1C(C)C ZINC000480242576 864331513 /nfs/dbraw/zinc/33/15/13/864331513.db2.gz BHXDUXDHIVDPJE-UHFFFAOYSA-N -2 0 393.509 3.922 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1Cl ZINC000164979254 864645283 /nfs/dbraw/zinc/64/52/83/864645283.db2.gz QOGJZMGRTKJHHH-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL CCOc1cc(NS(=O)(=O)c2cc(C)ccc2C)c(C(=O)[O-])cc1OCC ZINC000620709179 867119965 /nfs/dbraw/zinc/11/99/65/867119965.db2.gz XLSAMQRJWWSUNU-UHFFFAOYSA-N -2 0 393.461 3.600 20 0 GHADRL O=C([O-])c1cc(OC2CCCCC2)c(F)cc1[N-]S(=O)(=O)c1ccco1 ZINC000479207602 867353083 /nfs/dbraw/zinc/35/30/83/867353083.db2.gz SBOJTLGIBVHLEB-UHFFFAOYSA-N -2 0 383.397 3.629 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)ccc1C(=O)[O-] ZINC000479508119 867913530 /nfs/dbraw/zinc/91/35/30/867913530.db2.gz BTYOIKYKHSFMHE-UHFFFAOYSA-N -2 0 395.436 3.725 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)c(F)c1 ZINC000743251474 868017396 /nfs/dbraw/zinc/01/73/96/868017396.db2.gz QNCCSWZBVVXOMI-UHFFFAOYSA-N -2 0 399.490 3.803 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)cc(C(=O)[O-])c1F ZINC000766327825 869489583 /nfs/dbraw/zinc/48/95/83/869489583.db2.gz UAVNWCYVZJPAQC-UHFFFAOYSA-N -2 0 397.472 3.609 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc3ccccc3s2)cc1C(=O)[O-] ZINC001192608339 870539815 /nfs/dbraw/zinc/53/98/15/870539815.db2.gz AFTPUZVWNZLKHI-UHFFFAOYSA-N -2 0 377.443 3.799 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)nc2ccccc12 ZINC001193972577 871409661 /nfs/dbraw/zinc/40/96/61/871409661.db2.gz DJNUSRSRARDATI-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000462103494 871599172 /nfs/dbraw/zinc/59/91/72/871599172.db2.gz ORQQQZXTUNPNAE-UHFFFAOYSA-N -2 0 393.461 3.763 20 0 GHADRL Cc1nc2cc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc2s1 ZINC001195236475 872244390 /nfs/dbraw/zinc/24/43/90/872244390.db2.gz XYYDCDYWZVHWPB-UHFFFAOYSA-N -2 0 398.412 3.690 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2ccco2)c(F)cc1F ZINC001195238197 872306548 /nfs/dbraw/zinc/30/65/48/872306548.db2.gz MPSXBDAYAVECNN-UHFFFAOYSA-N -2 0 379.340 3.724 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NCC(F)(F)F ZINC000552394115 872557965 /nfs/dbraw/zinc/55/79/65/872557965.db2.gz BZALIRQEHXANKX-UHFFFAOYSA-N -2 0 394.396 3.530 20 0 GHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(Cl)c(F)c(C(=O)[O-])c3)c2n1 ZINC000767732940 872809520 /nfs/dbraw/zinc/80/95/20/872809520.db2.gz KAAWHNZMUYNOJY-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1C1CCC1 ZINC001198747097 874595268 /nfs/dbraw/zinc/59/52/68/874595268.db2.gz RJZADOQXZHKQDG-UHFFFAOYSA-N -2 0 397.456 3.774 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000475741779 882984958 /nfs/dbraw/zinc/98/49/58/882984958.db2.gz ZRJFVUPRMPWITD-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000776444847 876533240 /nfs/dbraw/zinc/53/32/40/876533240.db2.gz FMEKRWLEPHTRMS-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3C(=O)[O-])c2n1 ZINC000530770064 878460875 /nfs/dbraw/zinc/46/08/75/878460875.db2.gz WOPQXDIFZXUZME-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C(C)C ZINC000790419989 879700350 /nfs/dbraw/zinc/70/03/50/879700350.db2.gz BHXRASPADLTUJO-UHFFFAOYSA-N -2 0 399.900 3.959 20 0 GHADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000776747627 879882744 /nfs/dbraw/zinc/88/27/44/879882744.db2.gz HQGDDPIAVLQTLH-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2scnc2C2CC2)c1 ZINC000762476804 886266917 /nfs/dbraw/zinc/26/69/17/886266917.db2.gz STEOWLXKVUDZLF-UHFFFAOYSA-N -2 0 393.273 3.826 20 0 GHADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC001185687040 914017976 /nfs/dbraw/zinc/01/79/76/914017976.db2.gz LJBIGADWBUYKTI-OAHLLOKOSA-N -2 0 382.869 3.750 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1Oc1ccccc1 ZINC001185870871 914132434 /nfs/dbraw/zinc/13/24/34/914132434.db2.gz FMMUZHRSEDOTJR-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC001185871121 914132764 /nfs/dbraw/zinc/13/27/64/914132764.db2.gz KJKXUXYVHRAXLN-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000645937293 914142083 /nfs/dbraw/zinc/14/20/83/914142083.db2.gz JAOBLIJIDGHBJY-UHFFFAOYSA-N -2 0 377.462 3.800 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c(Cl)c1 ZINC000571119202 899747821 /nfs/dbraw/zinc/74/78/21/899747821.db2.gz FZXDHYTVSSAVPY-NSHDSACASA-N -2 0 383.853 3.728 20 0 GHADRL Cc1ccccc1-c1cccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1 ZINC001148926128 904260859 /nfs/dbraw/zinc/26/08/59/904260859.db2.gz FFFZZYRGIOJNMX-UHFFFAOYSA-N -2 0 383.425 3.867 20 0 GHADRL COC(=O)c1ccc(-c2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2)o1 ZINC001176239508 907999964 /nfs/dbraw/zinc/99/99/64/907999964.db2.gz ZHICOYPQTOVADL-UHFFFAOYSA-N -2 0 381.340 3.873 20 0 GHADRL O=C([O-])c1cc(Nc2c(Cl)ccc(Br)c2O)cc(C(=O)[O-])c1 ZINC001176244330 908003945 /nfs/dbraw/zinc/00/39/45/908003945.db2.gz SAFCHXLMWGHUIH-UHFFFAOYSA-N -2 0 386.585 3.948 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1F ZINC000795388352 910154234 /nfs/dbraw/zinc/15/42/34/910154234.db2.gz OPFUCCMIBQRSCG-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL CCOC(=O)C(=Cc1cccc(C(=O)[O-])c1)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000774114328 911403221 /nfs/dbraw/zinc/40/32/21/911403221.db2.gz ISZXOTZYDRRFHH-NTEUORMPSA-N -2 0 398.440 3.816 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)no2)c1 ZINC001187553459 915348591 /nfs/dbraw/zinc/34/85/91/915348591.db2.gz RLNCFKIFTJYGKK-UHFFFAOYSA-N -2 0 396.783 3.633 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnc3c(F)cccc3c2)c1 ZINC001187553438 915349063 /nfs/dbraw/zinc/34/90/63/915349063.db2.gz QNGFTFUHVPDKGQ-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL Cc1nc2c(F)cccc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187553243 915349126 /nfs/dbraw/zinc/34/91/26/915349126.db2.gz KWDZAGUIWRSOFR-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCCC3=O)c1 ZINC001187583292 915350140 /nfs/dbraw/zinc/35/01/40/915350140.db2.gz UXMWFBKRQYOCPC-UHFFFAOYSA-N -2 0 393.848 3.748 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3cccnc3)c2)ccc1Cl ZINC001188302775 915903591 /nfs/dbraw/zinc/90/35/91/915903591.db2.gz BUNHZXBUAYBXMT-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL CCCC[C@H]1CC[C@H](c2ccc(C(=O)NCCOP(=O)([O-])[O-])cc2)CC1 ZINC001190911599 917660254 /nfs/dbraw/zinc/66/02/54/917660254.db2.gz BECUJHPDNYLVAW-WKILWMFISA-N -2 0 383.425 3.990 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1Cl ZINC000410397785 925617387 /nfs/dbraw/zinc/61/73/87/925617387.db2.gz MAYFJQVWKKGCNQ-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)c1 ZINC000751211114 928074826 /nfs/dbraw/zinc/07/48/26/928074826.db2.gz 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GHADRL Cc1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc(C(=O)[O-])c1C ZINC000471109311 834482762 /nfs/dbraw/zinc/48/27/62/834482762.db2.gz CWZJCHOYVJWBHN-UHFFFAOYSA-N -2 0 398.440 3.990 20 0 GHADRL Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)n[nH]2)cc1C ZINC000612037734 835422582 /nfs/dbraw/zinc/42/25/82/835422582.db2.gz ASBPUXDJVDJKLQ-UHFFFAOYSA-N -2 0 385.445 3.501 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1F ZINC000180520146 836188299 /nfs/dbraw/zinc/18/82/99/836188299.db2.gz VAZSLXDSZUVXGY-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CCn1cc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cc1C(=O)[O-] ZINC000504222752 838752162 /nfs/dbraw/zinc/75/21/62/838752162.db2.gz HTTJESBOLDQEDC-UHFFFAOYSA-N -2 0 376.459 3.736 20 0 GHADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000504292766 838808367 /nfs/dbraw/zinc/80/83/67/838808367.db2.gz DDRJAFJOXIVOPX-UHFFFAOYSA-N -2 0 388.898 3.772 20 0 GHADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000066813749 839078247 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GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1 ZINC000512794800 845537534 /nfs/dbraw/zinc/53/75/34/845537534.db2.gz JBRAQRATNSNAMI-UHFFFAOYSA-N -2 0 381.425 3.558 20 0 GHADRL COc1cc(C)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(C(=O)[O-])c1 ZINC000548595926 845733732 /nfs/dbraw/zinc/73/37/32/845733732.db2.gz CFWZFCGIKHMNKT-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C([O-])c1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c(F)c1F ZINC001212514459 862348915 /nfs/dbraw/zinc/34/89/15/862348915.db2.gz UGZNLPISQYDUDP-UHFFFAOYSA-N -2 0 379.340 3.807 20 0 GHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c1 ZINC000436969619 852551767 /nfs/dbraw/zinc/55/17/67/852551767.db2.gz ZKGITMAVEWATAX-UHFFFAOYSA-N -2 0 398.440 3.570 20 0 GHADRL Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2)n1 ZINC000438751618 852818286 /nfs/dbraw/zinc/81/82/86/852818286.db2.gz DBGOXUVHVZBRPJ-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c(F)c1 ZINC000438809762 852891214 /nfs/dbraw/zinc/89/12/14/852891214.db2.gz IXQZAYNUPNECKJ-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000437681078 853411938 /nfs/dbraw/zinc/41/19/38/853411938.db2.gz IZSIQFKYPLPJKM-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL COc1cc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)ccc1OCCC(=O)[O-] ZINC000439271441 853497915 /nfs/dbraw/zinc/49/79/15/853497915.db2.gz GNJOAZXBCQVARU-XVNBXDOJSA-N -2 0 383.356 3.559 20 0 GHADRL Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)c2)n1 ZINC000156356219 853708011 /nfs/dbraw/zinc/70/80/11/853708011.db2.gz XERZRDNGNILVFF-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)s1 ZINC000485053362 856049324 /nfs/dbraw/zinc/04/93/24/856049324.db2.gz KNNPXEHRPZXVPV-UHFFFAOYSA-N -2 0 381.262 3.566 20 0 GHADRL COc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058488245 856897673 /nfs/dbraw/zinc/89/76/73/856897673.db2.gz XWPUIPYXJUUSNX-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C([O-])CCOc1cccc(/C=C\c2nc(C(=O)[O-])c(Br)s2)c1 ZINC000485998504 857309157 /nfs/dbraw/zinc/30/91/57/857309157.db2.gz AFSUSUPTIJAHON-PLNGDYQASA-N -2 0 398.234 3.628 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000060800262 857478613 /nfs/dbraw/zinc/47/86/13/857478613.db2.gz ZTNIAEYQHGEZRD-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000064374796 857700487 /nfs/dbraw/zinc/70/04/87/857700487.db2.gz QDISGAQMDAKSSS-UHFFFAOYSA-N -2 0 385.894 3.880 20 0 GHADRL Cc1csc(Nc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n1 ZINC000067659712 858054719 /nfs/dbraw/zinc/05/47/19/858054719.db2.gz OXOJYPOOCVPRNE-UHFFFAOYSA-N -2 0 395.487 3.756 20 0 GHADRL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000533953415 858980913 /nfs/dbraw/zinc/98/09/13/858980913.db2.gz RWUMTORKVJINNS-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)cc(C(=O)[O-])c1C ZINC000509378050 859229426 /nfs/dbraw/zinc/22/94/26/859229426.db2.gz IUMADBGPZBOKCS-UHFFFAOYSA-N -2 0 388.367 3.525 20 0 GHADRL Cc1ccc(-n2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)cn2)c(C)c1 ZINC000466423810 859426688 /nfs/dbraw/zinc/42/66/88/859426688.db2.gz DVIYWLROAHQTKA-UHFFFAOYSA-N -2 0 399.472 3.605 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)sc1Br ZINC000507649424 859830517 /nfs/dbraw/zinc/83/05/17/859830517.db2.gz LFKSCWMQWCIFPP-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c(O)c1 ZINC000484479030 860042663 /nfs/dbraw/zinc/04/26/63/860042663.db2.gz GKBLBCNLGXPJIV-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000013263477 860300432 /nfs/dbraw/zinc/30/04/32/860300432.db2.gz KZCYZFNTJXIOSL-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL COc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000671189775 864929294 /nfs/dbraw/zinc/92/92/94/864929294.db2.gz DUOCZSHDJKUZJC-UHFFFAOYSA-N -2 0 389.454 3.923 20 0 GHADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000737757772 865431847 /nfs/dbraw/zinc/43/18/47/865431847.db2.gz XELNDTOYOUJEHJ-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)cc1C(=O)[O-] ZINC000523727942 867858431 /nfs/dbraw/zinc/85/84/31/867858431.db2.gz VXETUQKSGLJWES-UHFFFAOYSA-N -2 0 393.461 3.762 20 0 GHADRL Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2F)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000746121782 870062478 /nfs/dbraw/zinc/06/24/78/870062478.db2.gz YROMUDVBOKDORA-UHFFFAOYSA-N -2 0 390.374 3.803 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3oncc3c2)c(Cl)cc1Cl ZINC001192430680 870358830 /nfs/dbraw/zinc/35/88/30/870358830.db2.gz VPXQGCQIDFDSAZ-UHFFFAOYSA-N -2 0 387.200 3.634 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)c1 ZINC000447269514 871292742 /nfs/dbraw/zinc/29/27/42/871292742.db2.gz CMLHCEMSBVLJER-UHFFFAOYSA-N -2 0 381.425 3.729 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)no2)c(Cl)cc1F ZINC001193973127 871411447 /nfs/dbraw/zinc/41/14/47/871411447.db2.gz MUMUKBKPYTWIMS-UHFFFAOYSA-N -2 0 396.783 3.633 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c2cccnc12 ZINC001194001895 871457299 /nfs/dbraw/zinc/45/72/99/871457299.db2.gz KPGGLYKCVPKLCA-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c2ccccc12 ZINC001195235773 872244590 /nfs/dbraw/zinc/24/45/90/872244590.db2.gz BABLGAGPFXVSRP-UHFFFAOYSA-N -2 0 377.368 3.925 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cnc4occc4c3)cc2)c1 ZINC001196075642 872863910 /nfs/dbraw/zinc/86/39/10/872863910.db2.gz GTCPKSQLYNAKRP-UHFFFAOYSA-N -2 0 394.408 3.994 20 0 GHADRL CCCOc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000541079185 872915231 /nfs/dbraw/zinc/91/52/31/872915231.db2.gz UPXWORMUYWIZHY-UHFFFAOYSA-N -2 0 391.489 3.829 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)s2)c(C(=O)[O-])c1 ZINC000061022390 882677634 /nfs/dbraw/zinc/67/76/34/882677634.db2.gz XUKINELJMQBZRY-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2sccc2Br)c(C(=O)[O-])c1 ZINC000061022371 882678411 /nfs/dbraw/zinc/67/84/11/882678411.db2.gz QYALAFSFNLCQQI-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509091072 873802502 /nfs/dbraw/zinc/80/25/02/873802502.db2.gz VEHNJRWYUNBAJH-UHFFFAOYSA-N -2 0 393.461 3.600 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(C2CCC2)nn1-c1ccccc1 ZINC001198746765 874595305 /nfs/dbraw/zinc/59/53/05/874595305.db2.gz LFAPRWBPISLOQT-UHFFFAOYSA-N -2 0 397.456 3.639 20 0 GHADRL CC(C)(C)OC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198779644 874629822 /nfs/dbraw/zinc/62/98/22/874629822.db2.gz SKRQFBIRRNNNKP-UHFFFAOYSA-N -2 0 392.433 3.533 20 0 GHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000542232091 875219383 /nfs/dbraw/zinc/21/93/83/875219383.db2.gz IKOXOXOLVIMUPV-UHFFFAOYSA-N -2 0 395.456 3.643 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cnn1CCC(C)C ZINC000491651960 875870819 /nfs/dbraw/zinc/87/08/19/875870819.db2.gz DIPFTUNFSVWKGW-UHFFFAOYSA-N -2 0 393.509 3.553 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)cc1F ZINC000776458222 876609993 /nfs/dbraw/zinc/60/99/93/876609993.db2.gz JTTCQCGBNUCDKS-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL Cc1c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c2ccccc2n1C ZINC000551466885 877264560 /nfs/dbraw/zinc/26/45/60/877264560.db2.gz HCVICYYMGOUQCY-CYBMUJFWSA-N -2 0 386.473 3.551 20 0 GHADRL Cn1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(Cl)c3Cl)c21 ZINC000788062435 877806926 /nfs/dbraw/zinc/80/69/26/877806926.db2.gz KSSSCBRKGQVFHM-UHFFFAOYSA-N -2 0 399.255 3.984 20 0 GHADRL COc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)ccc1OCC(=O)[O-] ZINC000761489134 878236053 /nfs/dbraw/zinc/23/60/53/878236053.db2.gz ZXCURULWNHFTRC-CLTKARDFSA-N -2 0 385.397 3.637 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460822912 878623622 /nfs/dbraw/zinc/62/36/22/878623622.db2.gz GWRMOAAEAKTIME-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)cc2)o1 ZINC000178954126 879295061 /nfs/dbraw/zinc/29/50/61/879295061.db2.gz WUVDICPLNYMXIL-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)cc1C(=O)[O-] ZINC000790005538 879389455 /nfs/dbraw/zinc/38/94/55/879389455.db2.gz ODTAKPMAPJMSFL-UHFFFAOYSA-N -2 0 380.441 3.844 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC000790394432 879666467 /nfs/dbraw/zinc/66/64/67/879666467.db2.gz UCOYRBHLTZWINT-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)s1 ZINC000776741644 879822793 /nfs/dbraw/zinc/82/27/93/879822793.db2.gz LYIGUZVLKJECDH-UHFFFAOYSA-N -2 0 388.898 3.865 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185267787 880525004 /nfs/dbraw/zinc/52/50/04/880525004.db2.gz WZPZJZGNGNGUHK-UHFFFAOYSA-N -2 0 382.800 3.768 20 0 GHADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c1 ZINC000761893132 884934949 /nfs/dbraw/zinc/93/49/49/884934949.db2.gz FZYKZIFQUJBVOO-UHFFFAOYSA-N -2 0 381.837 3.658 20 0 GHADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC000761895991 884939533 /nfs/dbraw/zinc/93/95/33/884939533.db2.gz ZYXFENMYIUAYSI-UHFFFAOYSA-N -2 0 392.820 3.523 20 0 GHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000476379676 885436356 /nfs/dbraw/zinc/43/63/56/885436356.db2.gz OTWQLSSJPXWULS-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000476418124 885727374 /nfs/dbraw/zinc/72/73/74/885727374.db2.gz ZTDPWHSXGMFHPY-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000794601847 887666857 /nfs/dbraw/zinc/66/68/57/887666857.db2.gz XRVQLNLUWXHGKI-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000326610662 888529473 /nfs/dbraw/zinc/52/94/73/888529473.db2.gz LPVLIUKAUORRGK-UHFFFAOYSA-N -2 0 383.853 3.936 20 0 GHADRL CCCCOc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc(F)c1F ZINC001184696771 913363365 /nfs/dbraw/zinc/36/33/65/913363365.db2.gz JCYLOAHKVINTAD-UHFFFAOYSA-N -2 0 399.415 3.951 20 0 GHADRL Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2[S-])cc1C(=O)[O-] ZINC001184696336 913363406 /nfs/dbraw/zinc/36/34/06/913363406.db2.gz XIJOLQKCTPPOAK-UHFFFAOYSA-N -2 0 391.392 3.802 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(F)(F)F)cc1C(=O)[O-] ZINC001184697461 913365096 /nfs/dbraw/zinc/36/50/96/913365096.db2.gz SXIFHMHFVPUJOO-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2O)cc1C(=O)[O-] ZINC001184698952 913367954 /nfs/dbraw/zinc/36/79/54/913367954.db2.gz MKSWASHSVJMBPM-UHFFFAOYSA-N -2 0 390.244 3.815 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)cc1C(=O)[O-] ZINC000533534361 890776479 /nfs/dbraw/zinc/77/64/79/890776479.db2.gz UQGLVNMRYWJVBH-UHFFFAOYSA-N -2 0 390.848 3.950 20 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0 GHADRL Cc1nc2cc([N-]S(=O)(=O)c3c4ccccc4sc3C(=O)[O-])ccc2o1 ZINC000738875005 600051967 /nfs/dbraw/zinc/05/19/67/600051967.db2.gz PMLJDIUOAMNEBH-UHFFFAOYSA-N -2 0 388.426 3.850 20 0 GHADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)nc21 ZINC000738546105 600054716 /nfs/dbraw/zinc/05/47/16/600054716.db2.gz FRBQYXSYWPDLOF-UHFFFAOYSA-N -2 0 376.459 3.721 20 0 GHADRL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000739039487 600057651 /nfs/dbraw/zinc/05/76/51/600057651.db2.gz LRCNBUOFAXMACE-UHFFFAOYSA-N -2 0 398.362 3.696 20 0 GHADRL CN(Cc1nc(=O)c2sccc2[n-]1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737496373 600099062 /nfs/dbraw/zinc/09/90/62/600099062.db2.gz MASOWJKIIHDSLR-ZDUSSCGKSA-N -2 0 398.271 3.961 20 0 GHADRL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000736885432 600233202 /nfs/dbraw/zinc/23/32/02/600233202.db2.gz CJGRNUVMWVXFGD-JTQLQIEISA-N -2 0 385.388 3.641 20 0 GHADRL CC(C)Cn1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000736456514 600243700 /nfs/dbraw/zinc/24/37/00/600243700.db2.gz XZDLPXKZZDJNJZ-UHFFFAOYSA-N -2 0 399.472 3.705 20 0 GHADRL CCC1=C(C(=O)[O-])[C@@H](c2cc(C)ccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736933073 600254090 /nfs/dbraw/zinc/25/40/90/600254090.db2.gz ZZEBVSQWWQGRQN-GOSISDBHSA-N -2 0 392.427 3.594 20 0 GHADRL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)s1 ZINC000739710762 600539845 /nfs/dbraw/zinc/53/98/45/600539845.db2.gz GSKCXAOLCMQBED-UHFFFAOYSA-N -2 0 392.824 3.506 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(Cl)cc2)c[nH]1 ZINC000485148434 600680421 /nfs/dbraw/zinc/68/04/21/600680421.db2.gz JBTFBJOYXJWWIW-UHFFFAOYSA-N -2 0 394.811 3.973 20 0 GHADRL CCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc21 ZINC000737049742 601050160 /nfs/dbraw/zinc/05/01/60/601050160.db2.gz HRCXRAFUEHJMGM-UHFFFAOYSA-N -2 0 394.399 3.829 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c(Cl)cc1Cl ZINC000755256530 601333054 /nfs/dbraw/zinc/33/30/54/601333054.db2.gz IXHACFGWJYLRAP-UHFFFAOYSA-N 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ZINC000832972636 602307672 /nfs/dbraw/zinc/30/76/72/602307672.db2.gz IKXUXCDIFBPQOF-UHFFFAOYSA-N -2 0 377.466 3.655 20 0 GHADRL O=C([O-])COc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1Cl ZINC000833256064 604793702 /nfs/dbraw/zinc/79/37/02/604793702.db2.gz KIROBWTVFFPOMR-UHFFFAOYSA-N -2 0 383.828 3.557 20 0 GHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000548590074 605164085 /nfs/dbraw/zinc/16/40/85/605164085.db2.gz DSVPWNVSIXARBJ-UHFFFAOYSA-N -2 0 386.429 3.505 20 0 GHADRL CN(C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1)C(=O)[O-] ZINC000828253509 605564545 /nfs/dbraw/zinc/56/45/45/605564545.db2.gz NYGMZEJZRGJTSF-ZDUSSCGKSA-N -2 0 388.851 3.785 20 0 GHADRL O=C([O-])COc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc12 ZINC000834066218 606054798 /nfs/dbraw/zinc/05/47/98/606054798.db2.gz QYXVRVRMEMBMLA-UHFFFAOYSA-N -2 0 380.356 3.645 20 0 GHADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000471135765 834894777 /nfs/dbraw/zinc/89/47/77/834894777.db2.gz DUJQSEWYSXYWTC-UHFFFAOYSA-N -2 0 388.376 3.861 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc(C(F)(F)F)c1 ZINC000052471841 844268509 /nfs/dbraw/zinc/26/85/09/844268509.db2.gz SRWRXSAUTHLNPW-UHFFFAOYSA-N -2 0 399.268 3.622 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C1CC1 ZINC000535687639 844307607 /nfs/dbraw/zinc/30/76/07/844307607.db2.gz DYONNCPKTSOJFW-JTQLQIEISA-N -2 0 383.495 3.600 20 0 GHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000181769792 838889818 /nfs/dbraw/zinc/88/98/18/838889818.db2.gz SSFKUGCELDHXDR-SECBINFHSA-N -2 0 389.260 3.767 20 0 GHADRL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1 ZINC000512781653 845514515 /nfs/dbraw/zinc/51/45/15/845514515.db2.gz VJMZJNFKIYIJQW-LBPRGKRZSA-N -2 0 381.425 3.810 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1F ZINC000548571952 845619301 /nfs/dbraw/zinc/61/93/01/845619301.db2.gz OOEJLWKAUZQUET-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000078965087 848769656 /nfs/dbraw/zinc/76/96/56/848769656.db2.gz CWSLGECNHCXHKX-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2s1 ZINC000327404389 849056078 /nfs/dbraw/zinc/05/60/78/849056078.db2.gz GTWKMHAWRABMRM-UHFFFAOYSA-N -2 0 398.462 3.656 20 0 GHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)cc1)C(=O)[O-] ZINC000504530094 850123180 /nfs/dbraw/zinc/12/31/80/850123180.db2.gz OFFRTKADWFEEOI-LBPRGKRZSA-N -2 0 375.471 3.965 20 0 GHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1)C(=O)[O-] ZINC000504665289 850223301 /nfs/dbraw/zinc/22/33/01/850223301.db2.gz CSRJQTXJOJTUGY-SECBINFHSA-N -2 0 389.857 3.845 20 0 GHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1cscc1C(F)F ZINC000899923588 862206138 /nfs/dbraw/zinc/20/61/38/862206138.db2.gz JIRDLMXTUPLPDT-UHFFFAOYSA-N -2 0 375.418 3.894 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2sccc2Br)ccc1Cl ZINC000049060843 851561455 /nfs/dbraw/zinc/56/14/55/851561455.db2.gz RGAUOZRDUQXVKB-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)ccc1Cl ZINC000436478924 851966678 /nfs/dbraw/zinc/96/66/78/851966678.db2.gz SHKVZDIQCGQNMZ-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000436612815 852112289 /nfs/dbraw/zinc/11/22/89/852112289.db2.gz YXDDTDBOPNQOHH-UHFFFAOYSA-N -2 0 391.445 3.607 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000489344738 852246522 /nfs/dbraw/zinc/24/65/22/852246522.db2.gz LGWXUODPOLXRFP-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(Cl)c2OC(C)C)c1 ZINC000436822702 852391968 /nfs/dbraw/zinc/39/19/68/852391968.db2.gz WNHDWRCDYOTAGE-UHFFFAOYSA-N -2 0 399.852 3.640 20 0 GHADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000438797391 852857885 /nfs/dbraw/zinc/85/78/85/852857885.db2.gz UKAVKWYBPNJSKS-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1CCC(C)C ZINC000440829380 853662616 /nfs/dbraw/zinc/66/26/16/853662616.db2.gz DRPTYCGLYQQAMY-UHFFFAOYSA-N -2 0 399.900 3.698 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)sc1C(=O)[O-] ZINC000055636323 855365530 /nfs/dbraw/zinc/36/55/30/855365530.db2.gz DLDONCHSJBGTEE-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c(C)c1 ZINC000485294260 856323054 /nfs/dbraw/zinc/32/30/54/856323054.db2.gz PBLBRXBPECZWLW-UHFFFAOYSA-N -2 0 399.852 3.555 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cncc3ccccc32)c(C)c1CC(=O)[O-] ZINC000542941177 857009311 /nfs/dbraw/zinc/00/93/11/857009311.db2.gz SIKTZUXSPLGJHL-UHFFFAOYSA-N -2 0 384.457 3.588 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc(C(F)(F)F)c1 ZINC000057769735 857232742 /nfs/dbraw/zinc/23/27/42/857232742.db2.gz PSKJKADNYZIAAE-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000060800378 857479421 /nfs/dbraw/zinc/47/94/21/857479421.db2.gz VMAKTHUWDJRZRW-UHFFFAOYSA-N -2 0 387.816 3.604 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1OCC ZINC000676075397 857729652 /nfs/dbraw/zinc/72/96/52/857729652.db2.gz OKBKAVHXNHEOOO-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000521527203 858095471 /nfs/dbraw/zinc/09/54/71/858095471.db2.gz HZLMTUFAIPTFEF-UHFFFAOYSA-N -2 0 399.490 3.743 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cnc3ccccc3c2)cccc1C(=O)[O-] ZINC000509386685 859269882 /nfs/dbraw/zinc/26/98/82/859269882.db2.gz RTPYPCOMMHFODU-UHFFFAOYSA-N -2 0 386.429 3.521 20 0 GHADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000509386460 859270291 /nfs/dbraw/zinc/27/02/91/859270291.db2.gz LFCBIMVOTMFADG-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000320358455 859504074 /nfs/dbraw/zinc/50/40/74/859504074.db2.gz RCAPQDGYFZFQPZ-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)cc(C(=O)[O-])c1C ZINC000499269977 881845104 /nfs/dbraw/zinc/84/51/04/881845104.db2.gz DPBREMPVHHQYQV-UHFFFAOYSA-N -2 0 393.509 3.778 20 0 GHADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)n[nH]2)s1 ZINC000444419918 866074509 /nfs/dbraw/zinc/07/45/09/866074509.db2.gz QGKUTPUBCGMUHO-UHFFFAOYSA-N -2 0 397.865 3.599 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000479181800 867298114 /nfs/dbraw/zinc/29/81/14/867298114.db2.gz GBYKVUPQEIMKOQ-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnn1CCC(C)C ZINC000479466465 867859045 /nfs/dbraw/zinc/85/90/45/867859045.db2.gz ITOPVQOQFLCGFC-UHFFFAOYSA-N -2 0 399.900 3.698 20 0 GHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000535137925 868235909 /nfs/dbraw/zinc/23/59/09/868235909.db2.gz NULLCPWDFFOEES-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cccc1-c1ncco1 ZINC000793442261 882186405 /nfs/dbraw/zinc/18/64/05/882186405.db2.gz DTMZOYWWTPTEAW-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c(Cl)cc1F ZINC000766327838 869489649 /nfs/dbraw/zinc/48/96/49/869489649.db2.gz UGZZVBYWXAGAIZ-UHFFFAOYSA-N -2 0 396.783 3.633 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cnoc32)c(Cl)cc1Cl ZINC001192433692 870363293 /nfs/dbraw/zinc/36/32/93/870363293.db2.gz POLFHNQNZVDBCV-UHFFFAOYSA-N -2 0 387.200 3.634 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)c(Cl)cc1Cl ZINC001192407937 870376962 /nfs/dbraw/zinc/37/69/62/870376962.db2.gz SSULWLWUOVIJHF-UHFFFAOYSA-N -2 0 397.186 3.825 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(C)C)c(Cl)c1 ZINC000462065586 871515158 /nfs/dbraw/zinc/51/51/58/871515158.db2.gz DBJNZKZGWITQMD-UHFFFAOYSA-N -2 0 387.841 3.775 20 0 GHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000462098098 871589884 /nfs/dbraw/zinc/58/98/84/871589884.db2.gz BXRLVWITAPFSEX-UHFFFAOYSA-N -2 0 377.462 3.736 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)n(C(C)C)n1 ZINC001196068643 872859508 /nfs/dbraw/zinc/85/95/08/872859508.db2.gz WAJLHWSIINQPAD-UHFFFAOYSA-N -2 0 399.472 3.938 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c(Cl)cc1F ZINC000541793867 874285470 /nfs/dbraw/zinc/28/54/70/874285470.db2.gz KIIWIENEKANOFM-NSHDSACASA-N -2 0 385.844 3.852 20 0 GHADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccccc3CCCC(=O)[O-])c2n1 ZINC000541929379 874553955 /nfs/dbraw/zinc/55/39/55/874553955.db2.gz SPBRVSVTJPCLIE-UHFFFAOYSA-N -2 0 384.457 3.751 20 0 GHADRL CCCCOc1c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc(F)c1F ZINC001198783314 874606352 /nfs/dbraw/zinc/60/63/52/874606352.db2.gz YTUSKDVIZGUMTN-UHFFFAOYSA-N -2 0 385.388 3.643 20 0 GHADRL CCc1cc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)ccc1C ZINC000477299144 877395398 /nfs/dbraw/zinc/39/53/98/877395398.db2.gz LORJEBRNULKVGX-UHFFFAOYSA-N -2 0 383.853 3.718 20 0 GHADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cc1C ZINC000538297663 879204584 /nfs/dbraw/zinc/20/45/84/879204584.db2.gz AAGBLGNMXAJRCV-LBPRGKRZSA-N -2 0 391.493 3.540 20 0 GHADRL CCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790394427 879666088 /nfs/dbraw/zinc/66/60/88/879666088.db2.gz UBRKPAVWGHNINH-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1C(=O)[O-] ZINC000790397164 879711094 /nfs/dbraw/zinc/71/10/94/879711094.db2.gz AXSWWSGZNGSIDH-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])c1 ZINC000460457148 886722979 /nfs/dbraw/zinc/72/29/79/886722979.db2.gz IHXJAVPGJFAWPT-UHFFFAOYSA-N -2 0 393.486 3.565 20 0 GHADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3F)ccc2s1 ZINC000781119096 887254632 /nfs/dbraw/zinc/25/46/32/887254632.db2.gz UQNLSTBMQDTNSJ-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL Cc1[n-]n(-c2cccc(-c3ccc(C4(O)CCC4)cc3)c2)c(=O)c1CC(=O)[O-] ZINC000864612041 887885895 /nfs/dbraw/zinc/88/58/95/887885895.db2.gz 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O=C([O-])c1cnc(F)c(-c2ccc(F)cc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC001244760440 1036628961 /nfs/dbraw/zinc/62/89/61/1036628961.db2.gz OMYKZJQSQIJNJS-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL COCCc1ccc(OCc2ccc(-c3ccc(P(=O)([O-])[O-])cc3)cc2)cc1 ZINC001245173500 1036800220 /nfs/dbraw/zinc/80/02/20/1036800220.db2.gz BZGJGPAPJOODBT-UHFFFAOYSA-N -2 0 398.395 3.925 20 0 GHADRL O=P([O-])([O-])c1ccc(-c2cc(Br)ccc2OC(F)(F)F)cc1 ZINC001245837428 1037020175 /nfs/dbraw/zinc/02/01/75/1037020175.db2.gz PLTYTXZOKIDTMV-UHFFFAOYSA-N -2 0 397.083 3.818 20 0 GHADRL CC(C)(C)[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC001256073482 1041508550 /nfs/dbraw/zinc/50/85/50/1041508550.db2.gz UVSJYTJKSWDQKN-INIZCTEOSA-N -2 0 383.416 3.980 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c(F)cc1Cl ZINC001259220510 1045018150 /nfs/dbraw/zinc/01/81/50/1045018150.db2.gz BQFRLKXLOGHWKL-UHFFFAOYSA-N -2 0 399.827 3.767 20 0 GHADRL CC(C)(C)n1nc(C2CCC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209279 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CCCCN1Cc2cccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])c2C1 ZINC000736995891 600100290 /nfs/dbraw/zinc/10/02/90/600100290.db2.gz QPVDWIYBKZIZDZ-UHFFFAOYSA-N -2 0 392.477 3.511 20 0 GHADRL CCN(c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1)C(C)C ZINC000737108251 600103107 /nfs/dbraw/zinc/10/31/07/600103107.db2.gz IDTBUYGPYUELAI-UHFFFAOYSA-N -2 0 380.441 3.559 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1 ZINC000740136268 600104147 /nfs/dbraw/zinc/10/41/47/600104147.db2.gz UOFTWWLNQXHHJU-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c(C(=O)[O-])[nH]1 ZINC000387673350 600176565 /nfs/dbraw/zinc/17/65/65/600176565.db2.gz JNIZISDZXRUFFA-UHFFFAOYSA-N -2 0 383.640 3.782 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1O ZINC000322189597 600176903 /nfs/dbraw/zinc/17/69/03/600176903.db2.gz JCUZVQORGAGHGG-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c(F)cc1F ZINC000740089915 600231724 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3.707 20 0 GHADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)sc1C(=O)[O-] ZINC000833451142 604539867 /nfs/dbraw/zinc/53/98/67/604539867.db2.gz RGWIBNRQVRZRRR-UHFFFAOYSA-N -2 0 392.861 3.732 20 0 GHADRL C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000827241269 604793014 /nfs/dbraw/zinc/79/30/14/604793014.db2.gz UJKCKRGXAYBBQQ-IBGZPJMESA-N -2 0 397.855 3.803 20 0 GHADRL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000833430229 605139022 /nfs/dbraw/zinc/13/90/22/605139022.db2.gz KSGGOSYDIBVFDN-TWGQIWQCSA-N -2 0 380.491 3.630 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000547631285 834672823 /nfs/dbraw/zinc/67/28/23/834672823.db2.gz YRFXVEJIEUMYSG-UHFFFAOYSA-N -2 0 388.470 3.764 20 0 GHADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c(C(=O)[O-])c1 ZINC000548197516 842040014 /nfs/dbraw/zinc/04/00/14/842040014.db2.gz FJVLWGFIPIQBDI-UHFFFAOYSA-N -2 0 396.490 3.503 20 0 GHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000535895831 845059215 /nfs/dbraw/zinc/05/92/15/845059215.db2.gz KIHIRCRHFJRWHL-UHFFFAOYSA-N -2 0 381.425 3.567 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c1 ZINC000512747358 845299172 /nfs/dbraw/zinc/29/91/72/845299172.db2.gz RPKMDZDCURUVPY-UHFFFAOYSA-N -2 0 393.436 3.560 20 0 GHADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000728505456 848110551 /nfs/dbraw/zinc/11/05/51/848110551.db2.gz HBNCLBZBQFGYRI-UHFFFAOYSA-N -2 0 399.881 3.672 20 0 GHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cscc2C(F)F)cc1)C(=O)[O-] ZINC000899919527 862183457 /nfs/dbraw/zinc/18/34/57/862183457.db2.gz RUAGTMBBOQXFLV-VIFPVBQESA-N -2 0 375.418 3.750 20 0 GHADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000488298600 851373622 /nfs/dbraw/zinc/37/36/22/851373622.db2.gz PERUOHHMRUZLNB-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c1 ZINC000048382877 851917186 /nfs/dbraw/zinc/91/71/86/851917186.db2.gz 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382.869 3.823 20 0 GHADRL Cc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832900923 601841255 /nfs/dbraw/zinc/84/12/55/601841255.db2.gz FYZAQAJFRVNIME-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000826763505 601843628 /nfs/dbraw/zinc/84/36/28/601843628.db2.gz BPBPVNWRTDIMTG-NSHDSACASA-N -2 0 385.873 3.643 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])sc1-c1ccccc1 ZINC000833003850 601847641 /nfs/dbraw/zinc/84/76/41/601847641.db2.gz YRRIYVTWNFPMPL-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(N(C)C(=O)[O-])cc1 ZINC000832856387 602113257 /nfs/dbraw/zinc/11/32/57/602113257.db2.gz SILGKTIYKAUNRG-UHFFFAOYSA-N -2 0 378.381 3.795 20 0 GHADRL Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832890989 602175857 /nfs/dbraw/zinc/17/58/57/602175857.db2.gz GWGVFAJNUMMIHE-ZDUSSCGKSA-N -2 0 394.518 3.934 20 0 GHADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] 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0 381.475 3.877 20 0 GHADRL CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1F ZINC000543911567 605167086 /nfs/dbraw/zinc/16/70/86/605167086.db2.gz RQOJAOCBXXQAGB-UHFFFAOYSA-N -2 0 391.417 3.703 20 0 GHADRL CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC000833445721 605167118 /nfs/dbraw/zinc/16/71/18/605167118.db2.gz OFIVMKCRBRTEOK-UHFFFAOYSA-N -2 0 391.417 3.703 20 0 GHADRL O=C([O-])c1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)ccc1Br ZINC000833768447 605201473 /nfs/dbraw/zinc/20/14/73/605201473.db2.gz CUFAIDSWLOLFIT-UHFFFAOYSA-N -2 0 393.218 3.830 20 0 GHADRL O=C([O-])Nc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(Cl)c1 ZINC000834259082 606067801 /nfs/dbraw/zinc/06/78/01/606067801.db2.gz WASOLIBKWQITTJ-CYBMUJFWSA-N -2 0 383.187 3.639 20 0 GHADRL Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cc2)o1 ZINC000174671366 836509601 /nfs/dbraw/zinc/50/96/01/836509601.db2.gz RPJCXEULJCJGAQ-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000547881008 837348361 /nfs/dbraw/zinc/34/83/61/837348361.db2.gz CLKARHNANXEVHP-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC1CCCCC1 ZINC000535737987 844364149 /nfs/dbraw/zinc/36/41/49/844364149.db2.gz WWUVPLDJRCFDCD-UHFFFAOYSA-N -2 0 378.450 3.832 20 0 GHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000643121828 839892045 /nfs/dbraw/zinc/89/20/45/839892045.db2.gz NLASZZWRVSCOLK-UHFFFAOYSA-N -2 0 383.344 3.713 20 0 GHADRL CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C)C1CCCCC1 ZINC000656630008 841616577 /nfs/dbraw/zinc/61/65/77/841616577.db2.gz SERIHIULQJCIDL-QGZVFWFLSA-N -2 0 399.509 3.509 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(C(=O)[O-])c1 ZINC000391208811 842945780 /nfs/dbraw/zinc/94/57/80/842945780.db2.gz IHVWKNMEGSJIFA-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512771957 845476092 /nfs/dbraw/zinc/47/60/92/845476092.db2.gz RYRXTRXFZCKIKD-UHFFFAOYSA-N -2 0 385.388 3.712 20 0 GHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C1CC1 ZINC000569614647 846599916 /nfs/dbraw/zinc/59/99/16/846599916.db2.gz MVOAXBJCVJCNPV-UHFFFAOYSA-N -2 0 397.884 3.569 20 0 GHADRL C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)(F)F ZINC000582322516 846860612 /nfs/dbraw/zinc/86/06/12/846860612.db2.gz LIXUKAXOSILMTN-MRVPVSSYSA-N -2 0 395.380 3.577 20 0 GHADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000438779219 852844172 /nfs/dbraw/zinc/84/41/72/852844172.db2.gz YRJIBSJRMLSIMF-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cs1 ZINC000437663926 853393793 /nfs/dbraw/zinc/39/37/93/853393793.db2.gz TZGIMBLHVNWVOH-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1C(=O)[O-] ZINC000440838886 853670875 /nfs/dbraw/zinc/67/08/75/853670875.db2.gz WYBVLGGSZCTTPD-UHFFFAOYSA-N -2 0 393.436 3.676 20 0 GHADRL O=C1CCCC[C@@]1(Nc1ccc(P(=O)([O-])[O-])cc1)c1ccccc1Cl ZINC001170313886 881344003 /nfs/dbraw/zinc/34/40/03/881344003.db2.gz HJIVNYKWIMIBMQ-GOSISDBHSA-N -2 0 379.780 3.594 20 0 GHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485270074 856298313 /nfs/dbraw/zinc/29/83/13/856298313.db2.gz FUXSPDUOTIFWOU-UHFFFAOYSA-N -2 0 399.852 3.555 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2ccccc2SC)c(Cl)cc1C(=O)[O-] ZINC000485295145 856324004 /nfs/dbraw/zinc/32/40/04/856324004.db2.gz QAMZJNWRBZMMQF-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C(C)C)ccc1C(=O)[O-] ZINC000507907239 856679654 /nfs/dbraw/zinc/67/96/54/856679654.db2.gz ULXFVGLWVIRPJX-UHFFFAOYSA-N -2 0 399.472 3.803 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000499502382 857015639 /nfs/dbraw/zinc/01/56/39/857015639.db2.gz JWQZQEKBGNPOGH-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1C ZINC000542947798 857048280 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3.983 20 0 GHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000327274621 859677908 /nfs/dbraw/zinc/67/79/08/859677908.db2.gz HIUSVSRHILJEEX-UHFFFAOYSA-N -2 0 393.770 3.787 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c(Cl)c1 ZINC000484127910 859818416 /nfs/dbraw/zinc/81/84/16/859818416.db2.gz DOXVLOKVCSCJLX-UHFFFAOYSA-N -2 0 376.821 3.834 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1C(=O)[O-] ZINC000484784446 860348036 /nfs/dbraw/zinc/34/80/36/860348036.db2.gz DCYRSFMMZXCOQQ-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509089004 860936102 /nfs/dbraw/zinc/93/61/02/860936102.db2.gz GVDPMYSQRMVBBJ-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000554674819 864717677 /nfs/dbraw/zinc/71/76/77/864717677.db2.gz CZHHNWIVWKHITH-UHFFFAOYSA-N -2 0 377.462 3.520 20 0 GHADRL Cc1cscc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1C ZINC000439054605 865081576 /nfs/dbraw/zinc/08/15/76/865081576.db2.gz GCVWONSFLRQPFG-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c(O)c1 ZINC000738691645 865604135 /nfs/dbraw/zinc/60/41/35/865604135.db2.gz RWXOARBTXYUAKN-UHFFFAOYSA-N -2 0 393.364 3.503 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000523073788 866063505 /nfs/dbraw/zinc/06/35/05/866063505.db2.gz HGKBDWACMTVHBY-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(F)c1 ZINC000405011915 866984728 /nfs/dbraw/zinc/98/47/28/866984728.db2.gz QXLURQYZKKBYIC-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL O=C([O-])c1cc(/C=C/c2cccc(OCc3ccccc3C(=O)[O-])c2)ncn1 ZINC000534879911 867692284 /nfs/dbraw/zinc/69/22/84/867692284.db2.gz YUYYWUAYWYFLIE-CMDGGOBGSA-N -2 0 376.368 3.622 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)ccc1F ZINC000479511327 867933020 /nfs/dbraw/zinc/93/30/20/867933020.db2.gz JGADKTRTOJRIJA-UHFFFAOYSA-N -2 0 399.399 3.556 20 0 GHADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793350420 882146884 /nfs/dbraw/zinc/14/68/84/882146884.db2.gz NLTLWCHWDQFGDU-UHFFFAOYSA-N -2 0 387.816 3.604 20 0 GHADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793411959 882152559 /nfs/dbraw/zinc/15/25/59/882152559.db2.gz MXRZGBZMSYALDU-UHFFFAOYSA-N -2 0 385.388 3.561 20 0 GHADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000793414311 882155689 /nfs/dbraw/zinc/15/56/89/882155689.db2.gz DBDYWVQOCARJQO-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cc(OC)c1 ZINC000446625018 870075729 /nfs/dbraw/zinc/07/57/29/870075729.db2.gz QDHZTDGTCDAVNT-UHFFFAOYSA-N -2 0 399.490 3.562 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1C ZINC000446635156 870122620 /nfs/dbraw/zinc/12/26/20/870122620.db2.gz SQDHGWLNHGFJJV-UHFFFAOYSA-N -2 0 399.538 3.850 20 0 GHADRL CSc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)ccn1 ZINC001192409439 870379515 /nfs/dbraw/zinc/37/95/15/870379515.db2.gz KGNQGORWDHXNSS-UHFFFAOYSA-N -2 0 393.273 3.609 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)sc1Br ZINC000149485567 871179681 /nfs/dbraw/zinc/17/96/81/871179681.db2.gz IHPJXPDTKRKJQB-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c(Cl)cc1F ZINC001193965652 871407138 /nfs/dbraw/zinc/40/71/38/871407138.db2.gz RIHCUHPSOUJCDC-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)n2)c(Cl)cc1F ZINC001193973273 871410834 /nfs/dbraw/zinc/41/08/34/871410834.db2.gz PHNSGKKASPBTIN-UHFFFAOYSA-N -2 0 399.614 3.680 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3cc(F)ccc3c2)c(Cl)cc1F ZINC001193973741 871411522 /nfs/dbraw/zinc/41/15/22/871411522.db2.gz BDFSFGZBVGVKJX-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(s2)CCCC3)c(Cl)cc1F ZINC001193974422 871411535 /nfs/dbraw/zinc/41/15/35/871411535.db2.gz LEXYQACDOJPMAU-UHFFFAOYSA-N -2 0 389.857 3.918 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000462106777 871604359 /nfs/dbraw/zinc/60/43/59/871604359.db2.gz ZEYRKTACRKLBCD-UHFFFAOYSA-N -2 0 387.816 3.685 20 0 GHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)c2c1 ZINC001195236268 872244625 /nfs/dbraw/zinc/24/46/25/872244625.db2.gz RNXQMPMBJDCLMD-UHFFFAOYSA-N -2 0 377.368 3.925 20 0 GHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2C2CC2)c1 ZINC001196008776 872805925 /nfs/dbraw/zinc/80/59/25/872805925.db2.gz UPWFVCIXFPYEKQ-UHFFFAOYSA-N -2 0 396.262 3.826 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cccc4ocnc43)cc2)c1 ZINC001196096144 872876675 /nfs/dbraw/zinc/87/66/75/872876675.db2.gz AITAFQZJQOAFTP-UHFFFAOYSA-N -2 0 394.408 3.994 20 0 GHADRL Cc1cc(C(=O)Nc2ccccc2SC(F)(F)F)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000746192498 874985427 /nfs/dbraw/zinc/98/54/27/874985427.db2.gz MMWKQLFPSZWBDE-UHFFFAOYSA-N -2 0 396.350 3.609 20 0 GHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000542235722 875197159 /nfs/dbraw/zinc/19/71/59/875197159.db2.gz QGEQZPRFAHKRJT-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000491602771 875835990 /nfs/dbraw/zinc/83/59/90/875835990.db2.gz XENYDLSRZCMLBD-UHFFFAOYSA-N -2 0 397.412 3.630 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000475744150 882980734 /nfs/dbraw/zinc/98/07/34/882980734.db2.gz ANCDUMORBTWVOC-UHFFFAOYSA-N -2 0 379.743 3.565 20 0 GHADRL Cc1ccccc1S(=O)(=O)Nc1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000551473415 877257966 /nfs/dbraw/zinc/25/79/66/877257966.db2.gz NGTDZOKUWHGVTF-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2O1 ZINC000530434635 877812133 /nfs/dbraw/zinc/81/21/33/877812133.db2.gz WEWNQJAQOIHIKW-UHFFFAOYSA-N -2 0 381.837 3.553 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)c(C)c1C(=O)[O-] ZINC000530488024 877918604 /nfs/dbraw/zinc/91/86/04/877918604.db2.gz VPUZDWXEOKQLTM-UHFFFAOYSA-N -2 0 375.446 3.516 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C(=O)[O-] ZINC000790381834 879651188 /nfs/dbraw/zinc/65/11/88/879651188.db2.gz CRZNRIJVCGBESK-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000057769610 881133352 /nfs/dbraw/zinc/13/33/52/881133352.db2.gz AFTOKPHVPUWYLO-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)c2)o1 ZINC000475817408 884229059 /nfs/dbraw/zinc/22/90/59/884229059.db2.gz ODJHHWVXZWCNPS-UHFFFAOYSA-N -2 0 387.413 3.768 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)ccc1F ZINC000762454899 886236033 /nfs/dbraw/zinc/23/60/33/886236033.db2.gz VLXXJGSXORRWMG-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000794580667 887531353 /nfs/dbraw/zinc/53/13/53/887531353.db2.gz MEQBFMLPAUQKGX-UHFFFAOYSA-N -2 0 381.837 3.740 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1 ZINC000536629378 887769651 /nfs/dbraw/zinc/76/96/51/887769651.db2.gz ALDNNLZJPOMWDC-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL O=S(=O)([N-][C@H]1[CH]CC=C1)c1c(Cl)sc(Cl)c1Br ZINC001184584537 913301530 /nfs/dbraw/zinc/30/15/30/913301530.db2.gz OIRLZPAAYGRHFM-RXMQYKEDSA-N -2 0 376.104 3.628 20 0 GHADRL Cc1nn(-c2ccccc2)c(=NC(=O)c2cc(CCc3ccccc3)ccc2[O-])[n-]1 ZINC001137177695 896765096 /nfs/dbraw/zinc/76/50/96/896765096.db2.gz VYOUFZKXWCMGAP-UHFFFAOYSA-N -2 0 398.466 3.741 20 0 GHADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C(F)(F)F ZINC001185909095 914168952 /nfs/dbraw/zinc/16/89/52/914168952.db2.gz IHRVTRRGTMFUCN-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)C(F)(F)F)cc1 ZINC001185923660 914205394 /nfs/dbraw/zinc/20/53/94/914205394.db2.gz IRHRFTCDWYQRQU-OAHLLOKOSA-N -2 0 387.379 3.584 20 0 GHADRL CC(=O)c1sc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186143772 914327801 /nfs/dbraw/zinc/32/78/01/914327801.db2.gz SFJFWAHJQBVZMD-UHFFFAOYSA-N -2 0 399.465 3.886 20 0 GHADRL CC(C)(C)COc1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186192812 914352777 /nfs/dbraw/zinc/35/27/77/914352777.db2.gz BARBCQIABNHBAY-UHFFFAOYSA-N -2 0 399.415 3.889 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3cccnc32)c1Cl ZINC000156276756 899632476 /nfs/dbraw/zinc/63/24/76/899632476.db2.gz FGJQTUOWOPVWGL-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000825448617 900170531 /nfs/dbraw/zinc/17/05/31/900170531.db2.gz FSDLIBVKYIQOPV-QMMMGPOBSA-N -2 0 390.248 3.518 20 0 GHADRL Cc1c(F)cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)cc1C(=O)[O-] ZINC000572879556 900299014 /nfs/dbraw/zinc/29/90/14/900299014.db2.gz MOYCXIJAUNQZQS-UHFFFAOYSA-N -2 0 397.472 3.609 20 0 GHADRL CC(C)(C)Sc1ccccc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926632 904261692 /nfs/dbraw/zinc/26/16/92/904261692.db2.gz RXOLQGHBMUSHCX-UHFFFAOYSA-N -2 0 381.475 3.782 20 0 GHADRL CC(C)(C)OC(=O)n1cnc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc21 ZINC001176245091 908004723 /nfs/dbraw/zinc/00/47/23/908004723.db2.gz SZEVCNAEAMCGLF-UHFFFAOYSA-N -2 0 397.387 3.960 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2CCCCC3=O)c1 ZINC001187583332 915349525 /nfs/dbraw/zinc/34/95/25/915349525.db2.gz XAQUKMGXGMFMKC-UHFFFAOYSA-N -2 0 393.848 3.748 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2O)c1 ZINC001187589619 915353170 /nfs/dbraw/zinc/35/31/70/915353170.db2.gz LFQUYGBOUGFRML-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000013262509 919320118 /nfs/dbraw/zinc/32/01/18/919320118.db2.gz QNIFHFZSZNNBTK-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL CSCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1 ZINC000749144289 924047124 /nfs/dbraw/zinc/04/71/24/924047124.db2.gz WCUDNHVUHPIMGU-UHFFFAOYSA-N -2 0 383.466 3.539 20 0 GHADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c(C)c1 ZINC000749144369 924047289 /nfs/dbraw/zinc/04/72/89/924047289.db2.gz XEXCBCSZVQLTCE-UHFFFAOYSA-N -2 0 381.425 3.730 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)c(C)c1C(=O)[O-] ZINC000677123760 924247072 /nfs/dbraw/zinc/24/70/72/924247072.db2.gz GZBOMWAETNOKHQ-OAHLLOKOSA-N -2 0 399.472 3.608 20 0 GHADRL CCOc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])c1 ZINC000410048194 925286793 /nfs/dbraw/zinc/28/67/93/925286793.db2.gz KIJDNWFUFVDQEY-UHFFFAOYSA-N -2 0 395.502 3.761 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3cccnc32)cc2ccccc21 ZINC000751545803 928241182 /nfs/dbraw/zinc/24/11/82/928241182.db2.gz FXPBFVWDVVMBKR-UHFFFAOYSA-N -2 0 378.409 3.887 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)cc1C(=O)[O-] ZINC000753773180 929528633 /nfs/dbraw/zinc/52/86/33/929528633.db2.gz VGAATQKNLQPROS-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1Cl ZINC000753774291 929529691 /nfs/dbraw/zinc/52/96/91/929529691.db2.gz DMUKFRGTIWGPNZ-UHFFFAOYSA-N -2 0 391.779 3.749 20 0 GHADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)C=Cc2cccc(Br)c2)c1 ZINC000758170844 929959014 /nfs/dbraw/zinc/95/90/14/929959014.db2.gz RTSMNTUXLUKEDB-FPLPWBNLSA-N -2 0 396.262 3.770 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc(C(=O)[O-])c1Cl ZINC000759113686 930277676 /nfs/dbraw/zinc/27/76/76/930277676.db2.gz FMIBYPYUSBGISH-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000783861553 931695305 /nfs/dbraw/zinc/69/53/05/931695305.db2.gz NFFBMNIWTPWLNM-VIFPVBQESA-N -2 0 389.260 3.767 20 0 GHADRL Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058525 957352174 /nfs/dbraw/zinc/35/21/74/957352174.db2.gz JQFMUEBGBGFGEZ-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259218881 960677020 /nfs/dbraw/zinc/67/70/20/960677020.db2.gz LJKPDWRZQCKLHF-UHFFFAOYSA-N -2 0 375.830 3.700 20 0 GHADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001603602489 973868073 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390.244 3.891 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c2ccccc12 ZINC001597137683 986878842 /nfs/dbraw/zinc/87/88/42/986878842.db2.gz SFSRKHKLAFQJJR-UHFFFAOYSA-N -2 0 377.443 3.799 20 0 GHADRL C[C@](NC(=O)c1ccc(Cl)c([O-])c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593162812 993998606 /nfs/dbraw/zinc/99/86/06/993998606.db2.gz MTQQMNRDGVKLGH-MRXNPFEDSA-N -2 0 398.640 3.538 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)c(Cl)c1Cl ZINC001599617844 994041116 /nfs/dbraw/zinc/04/11/16/994041116.db2.gz HUKACSGUULMWOW-UHFFFAOYSA-N -2 0 396.273 3.871 20 0 GHADRL O=C(Nc1cccc(Cl)c1[O-])c1ccc(I)c(O)c1 ZINC000545488486 1015933685 /nfs/dbraw/zinc/93/36/85/1015933685.db2.gz XJKSYUZJYDEVRG-UHFFFAOYSA-N -2 0 389.576 3.608 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)ccc1C(=O)[O-] ZINC001599459959 998255505 /nfs/dbraw/zinc/25/55/05/998255505.db2.gz QOFFJDCNRNGLMR-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL COc1ccc(COc2cccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)cc1 ZINC001242161055 1035837900 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3.901 20 0 GHADRL COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001260650503 1045591289 /nfs/dbraw/zinc/59/12/89/1045591289.db2.gz ARNBFCOVGZMEIK-QGZVFWFLSA-N -2 0 395.452 3.849 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Sc3ccccc3)c2)o1 ZINC000740188054 599839563 /nfs/dbraw/zinc/83/95/63/599839563.db2.gz ZYNFFOFPSNCOQF-UHFFFAOYSA-N -2 0 375.427 3.930 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)ccc1C(=O)[O-] ZINC000485054295 599924918 /nfs/dbraw/zinc/92/49/18/599924918.db2.gz ZNJHCWRRIUBYPV-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CCC1=C(C(=O)[O-])[C@H](c2cccc(F)c2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736931710 600004799 /nfs/dbraw/zinc/00/47/99/600004799.db2.gz IGVKXUWOBCQVMH-SFHVURJKSA-N -2 0 398.390 3.539 20 0 GHADRL CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)sc2C1 ZINC000736973342 600055571 /nfs/dbraw/zinc/05/55/71/600055571.db2.gz IYWWUMDGZCKSFC-SECBINFHSA-N -2 0 386.520 3.609 20 0 GHADRL O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000740146829 600106097 /nfs/dbraw/zinc/10/60/97/600106097.db2.gz VYZKJFWYKZCIPK-UHFFFAOYSA-N -2 0 398.843 3.578 20 0 GHADRL COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737946935 600229312 /nfs/dbraw/zinc/22/93/12/600229312.db2.gz GVMXYHXTRJMRJC-UHFFFAOYSA-N -2 0 399.415 3.770 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cnc1Cl ZINC000738477348 600299512 /nfs/dbraw/zinc/29/95/12/600299512.db2.gz WZSUCWRZORAJEI-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)c1 ZINC000606343683 600396104 /nfs/dbraw/zinc/39/61/04/600396104.db2.gz VOTQXMLQYANANF-UHFFFAOYSA-N -2 0 397.421 3.743 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)c1 ZINC000740136899 600694742 /nfs/dbraw/zinc/69/47/42/600694742.db2.gz ZYKZPCOONLXTHS-UHFFFAOYSA-N -2 0 399.827 3.767 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)ccc1C(=O)[O-] ZINC000671658392 600890827 /nfs/dbraw/zinc/89/08/27/600890827.db2.gz QVSSEUURNSOEPG-UHFFFAOYSA-N 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ZINC000828870036 601501690 /nfs/dbraw/zinc/50/16/90/601501690.db2.gz JVWFOXTYXXLQKP-UHFFFAOYSA-N -2 0 389.886 3.594 20 0 GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC000831945012 601785638 /nfs/dbraw/zinc/78/56/38/601785638.db2.gz DEKGPQJJQGOTRL-UHFFFAOYSA-N -2 0 399.490 3.571 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000831851677 601829746 /nfs/dbraw/zinc/82/97/46/601829746.db2.gz FGAWZEAFNWABJM-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(F)ccc1Oc1ccccc1 ZINC000833345245 601841556 /nfs/dbraw/zinc/84/15/56/601841556.db2.gz OFYULGLHFPMJBI-UHFFFAOYSA-N -2 0 394.405 3.574 20 0 GHADRL CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2C1 ZINC000829266421 601847537 /nfs/dbraw/zinc/84/75/37/601847537.db2.gz IQYHVUPJHXPXNL-JTQLQIEISA-N -2 0 398.481 3.686 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c1 ZINC000833317134 602170304 /nfs/dbraw/zinc/17/03/04/602170304.db2.gz 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389.454 3.547 20 0 GHADRL COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC000509543793 852915201 /nfs/dbraw/zinc/91/52/01/852915201.db2.gz WDKBSTSRJXZYNB-UHFFFAOYSA-N -2 0 382.246 3.563 20 0 GHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1)C(=O)[O-] ZINC000507566393 853058722 /nfs/dbraw/zinc/05/87/22/853058722.db2.gz KYZLISUXYQXAHU-SNVBAGLBSA-N -2 0 394.449 3.673 20 0 GHADRL Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)s1 ZINC000437655907 853381730 /nfs/dbraw/zinc/38/17/30/853381730.db2.gz OTLRKMIHXCSOHL-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c(Cl)c1 ZINC000571594492 853974922 /nfs/dbraw/zinc/97/49/22/853974922.db2.gz OEKNSNYZQIXRQA-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c(Cl)cc1C(=O)[O-] ZINC000485249204 856279819 /nfs/dbraw/zinc/27/98/19/856279819.db2.gz AJRHGSPVNXOLKB-UHFFFAOYSA-N -2 0 391.779 3.785 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c(Cl)cc1C(=O)[O-] ZINC000499497043 856960406 /nfs/dbraw/zinc/96/04/06/856960406.db2.gz WSCBRPMXGPGVDM-UHFFFAOYSA-N -2 0 399.827 3.864 20 0 GHADRL CCOc1cc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)ccc1C ZINC000674050137 862871927 /nfs/dbraw/zinc/87/19/27/862871927.db2.gz GWPLHCYGRRPKKS-UHFFFAOYSA-N -2 0 399.852 3.555 20 0 GHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)s1 ZINC000486106086 857435261 /nfs/dbraw/zinc/43/52/61/857435261.db2.gz ZUGKYZJCMYQBML-UHFFFAOYSA-N -2 0 388.898 3.865 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC2CCCC2)cc1 ZINC000676233933 857797328 /nfs/dbraw/zinc/79/73/28/857797328.db2.gz RTXSJSCIILAZNJ-UHFFFAOYSA-N -2 0 379.409 3.646 20 0 GHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000543164095 858693543 /nfs/dbraw/zinc/69/35/43/858693543.db2.gz KQGOLZCBMWESQH-NSHDSACASA-N -2 0 376.459 3.675 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1 ZINC000164995690 859972364 /nfs/dbraw/zinc/97/23/64/859972364.db2.gz QBLLBFZIOABOMB-UHFFFAOYSA-N -2 0 382.441 3.567 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c1Cl ZINC000761288118 860579582 /nfs/dbraw/zinc/57/95/82/860579582.db2.gz LSEZPAVSBFVZNQ-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000606342935 863523170 /nfs/dbraw/zinc/52/31/70/863523170.db2.gz IHPVWTSFLSGFLM-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc([N+](=O)[O-])c1F ZINC000184537624 864652559 /nfs/dbraw/zinc/65/25/59/864652559.db2.gz IHZPOAWWYSRNLX-UHFFFAOYSA-N -2 0 395.195 3.856 20 0 GHADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000614793009 866409037 /nfs/dbraw/zinc/40/90/37/866409037.db2.gz XOWWKYXFLMDUPJ-UHFFFAOYSA-N -2 0 399.490 3.743 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C)n(-c3ccc(C)cc3)n2)cc1C(=O)[O-] ZINC000553150198 866886891 /nfs/dbraw/zinc/88/68/91/866886891.db2.gz YXYWUHAOYJMZDK-UHFFFAOYSA-N -2 0 399.472 3.551 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1C(=O)[O-] ZINC000479479435 867843334 /nfs/dbraw/zinc/84/33/34/867843334.db2.gz JPPXBMARNDDCTG-UHFFFAOYSA-N -2 0 395.436 3.725 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c1 ZINC000156364148 868339854 /nfs/dbraw/zinc/33/98/54/868339854.db2.gz OEVVHFPAECNMIM-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cc1C(=O)[O-] ZINC000446645204 870138002 /nfs/dbraw/zinc/13/80/02/870138002.db2.gz BMVONIZUGIUJGP-UHFFFAOYSA-N -2 0 397.474 3.551 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(Cl)cc2F)c(Cl)cc1Cl ZINC001192400616 870370050 /nfs/dbraw/zinc/37/00/50/870370050.db2.gz BTTBXECYUIFNHR-UHFFFAOYSA-N -2 0 399.614 3.680 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1C(=O)[O-] ZINC000525369069 870518227 /nfs/dbraw/zinc/51/82/27/870518227.db2.gz ILPRCDXNQXRTHN-UHFFFAOYSA-N -2 0 375.446 3.591 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)c(Cl)cc1F ZINC001193974090 871410697 /nfs/dbraw/zinc/41/06/97/871410697.db2.gz IGWDPIKCYHGHKR-UHFFFAOYSA-N -2 0 384.816 3.641 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c(F)cc1F ZINC001195195429 872249141 /nfs/dbraw/zinc/24/91/41/872249141.db2.gz YUTXDNWUHLGLLS-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C(F)(F)F)c1 ZINC001195239270 872306687 /nfs/dbraw/zinc/30/66/87/872306687.db2.gz XGNPZSPHNVVVNV-UHFFFAOYSA-N -2 0 395.305 3.791 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cccnc32)cc(Cl)c1F ZINC000767738289 872797685 /nfs/dbraw/zinc/79/76/85/872797685.db2.gz RHHUQRDQSVMNBQ-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cc(Cl)cs2)c1 ZINC001196020869 872820313 /nfs/dbraw/zinc/82/03/13/872820313.db2.gz KDPALCFTIYRAPS-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)nc3)cc2)c1 ZINC001196068204 872834168 /nfs/dbraw/zinc/83/41/68/872834168.db2.gz LOCALIUBIPLQNN-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL COc1cncc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1C ZINC001196067939 872853118 /nfs/dbraw/zinc/85/31/18/872853118.db2.gz GLOXMBISPYTXJX-UHFFFAOYSA-N -2 0 398.440 3.565 20 0 GHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc3ccoc32)c1 ZINC001196046490 872854369 /nfs/dbraw/zinc/85/43/69/872854369.db2.gz BGKYUXLUYROBTK-UHFFFAOYSA-N -2 0 396.218 3.694 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cc4ccccn4n3)cc2)c1 ZINC001196075106 872863921 /nfs/dbraw/zinc/86/39/21/872863921.db2.gz DKOUBUBOKVWIGP-UHFFFAOYSA-N -2 0 393.424 3.500 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000541079421 872913971 /nfs/dbraw/zinc/91/39/71/872913971.db2.gz IHQFQRIYYMXDPC-UHFFFAOYSA-N -2 0 397.880 3.702 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1F ZINC000768281736 873230846 /nfs/dbraw/zinc/23/08/46/873230846.db2.gz GKIPHNRWYIHZKD-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL Cc1cccc(C)c1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000769622324 874202261 /nfs/dbraw/zinc/20/22/61/874202261.db2.gz VTRAXABWGAAGOP-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)s3)[nH]n2)cc1C(=O)[O-] ZINC000137637770 877582155 /nfs/dbraw/zinc/58/21/55/877582155.db2.gz FQXQZRBWGDCNED-UHFFFAOYSA-N -2 0 391.474 3.508 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)sc1C(=O)[O-] ZINC000460816434 878612286 /nfs/dbraw/zinc/61/22/86/878612286.db2.gz QESNXABPBFXLAX-UHFFFAOYSA-N -2 0 379.381 3.660 20 0 GHADRL CC(C)OCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000919962092 881273585 /nfs/dbraw/zinc/27/35/85/881273585.db2.gz VRBUIKCRMKFKCF-UHFFFAOYSA-N -2 0 383.853 3.764 20 0 GHADRL Cc1c(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c2ccccc2n1C ZINC000551107113 883290705 /nfs/dbraw/zinc/29/07/05/883290705.db2.gz KUDVEGOWGAIKHA-ZDUSSCGKSA-N -2 0 386.473 3.866 20 0 GHADRL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000470441047 884060843 /nfs/dbraw/zinc/06/08/43/884060843.db2.gz RSLVYRUAVYPWRX-UHFFFAOYSA-N -2 0 381.793 3.599 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc(Br)c1 ZINC000230224544 885576260 /nfs/dbraw/zinc/57/62/60/885576260.db2.gz HMWLLXPEHQJTCD-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc1C(=O)[O-] ZINC000863426327 887097617 /nfs/dbraw/zinc/09/76/17/887097617.db2.gz BSRKGJHRZWRGHY-UHFFFAOYSA-N -2 0 393.436 3.527 20 0 GHADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000811711225 889890041 /nfs/dbraw/zinc/89/00/41/889890041.db2.gz SYJWCXIWRSFQCH-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)sc1C ZINC000536904810 894077804 /nfs/dbraw/zinc/07/78/04/894077804.db2.gz LVEGPVCPWUJPMU-UHFFFAOYSA-N -2 0 379.381 3.883 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)c1 ZINC000821116402 897717324 /nfs/dbraw/zinc/71/73/24/897717324.db2.gz NEJULFYCNVZJFO-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cccc1C(=O)[O-] ZINC000568317090 897735602 /nfs/dbraw/zinc/73/56/02/897735602.db2.gz CSJQYVMODADSOH-UHFFFAOYSA-N -2 0 385.388 3.910 20 0 GHADRL O=C([O-])c1cc(Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc(C(=O)[O-])c1 ZINC001176241819 908000311 /nfs/dbraw/zinc/00/03/11/908000311.db2.gz ZLIQQKWFXDEXDJ-HNNXBMFYSA-N -2 0 375.352 3.524 20 0 GHADRL Nc1cccc(OCc2ccccc2)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176243635 908002247 /nfs/dbraw/zinc/00/22/47/908002247.db2.gz ASPIERIWUSYKSC-UHFFFAOYSA-N -2 0 378.384 3.988 20 0 GHADRL COC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C(F)(F)F ZINC001176243363 908002579 /nfs/dbraw/zinc/00/25/79/908002579.db2.gz HYEGZWZYEDBZQD-UHFFFAOYSA-N -2 0 383.278 3.632 20 0 GHADRL O=C([O-])c1cc(Nc2cccc([C@@H]3CN4C=CSC4=N3)c2)cc(C(=O)[O-])c1 ZINC001176245075 908004738 /nfs/dbraw/zinc/00/47/38/908004738.db2.gz SNZWLYYINHRLAB-INIZCTEOSA-N -2 0 381.413 3.757 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000194220495 908926576 /nfs/dbraw/zinc/92/65/76/908926576.db2.gz CBMUGTWOUXPPBU-UHFFFAOYSA-N -2 0 397.884 3.767 20 0 GHADRL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000779830001 908982470 /nfs/dbraw/zinc/98/24/70/908982470.db2.gz OLCQKOPHDKFMMZ-UHFFFAOYSA-N -2 0 379.743 3.565 20 0 GHADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C ZINC000901894872 921707846 /nfs/dbraw/zinc/70/78/46/921707846.db2.gz BVRRBKZCECSONS-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cncc(-c3ccccc3)c2)cc1 ZINC001192114443 918418892 /nfs/dbraw/zinc/41/88/92/918418892.db2.gz YYRPQJWGSAQJBI-UHFFFAOYSA-N -2 0 382.441 3.567 20 0 GHADRL COc1cccc2c(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)cccc12 ZINC001192145381 918439070 /nfs/dbraw/zinc/43/90/70/918439070.db2.gz GWCXIONJJHVYPG-UHFFFAOYSA-N -2 0 385.441 3.666 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2O)cc1 ZINC001192139154 918471574 /nfs/dbraw/zinc/47/15/74/918471574.db2.gz HYZOKVZAAZXWKV-UHFFFAOYSA-N -2 0 390.244 3.517 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC2CCCCC2)c1 ZINC000467758010 929378437 /nfs/dbraw/zinc/37/84/37/929378437.db2.gz JHGWEPXXKOLWKT-UHFFFAOYSA-N -2 0 393.461 3.936 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000753768408 929525797 /nfs/dbraw/zinc/52/57/97/929525797.db2.gz DPWDDXJSSBCJMH-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759091177 930270400 /nfs/dbraw/zinc/27/04/00/930270400.db2.gz QUZHGCXPVBDZOM-UHFFFAOYSA-N -2 0 383.853 3.855 20 0 GHADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759094972 930271675 /nfs/dbraw/zinc/27/16/75/930271675.db2.gz BHFDBTWVFHBVHG-UHFFFAOYSA-N -2 0 399.852 3.555 20 0 GHADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)ccc2s1 ZINC000781119880 930706249 /nfs/dbraw/zinc/70/62/49/930706249.db2.gz CPJKNWODHIDORF-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c(Cl)cc1F ZINC000547554359 931111738 /nfs/dbraw/zinc/11/17/38/931111738.db2.gz OFOWBYXKZHBMOE-UHFFFAOYSA-N -2 0 375.780 3.734 20 0 GHADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000547583090 931131725 /nfs/dbraw/zinc/13/17/25/931131725.db2.gz RMKGVUYCTVMNMC-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000798410489 932637084 /nfs/dbraw/zinc/63/70/84/932637084.db2.gz YGDIQSLCXLYDIP-UHFFFAOYSA-N -2 0 389.260 3.597 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)c1C(=O)[O-] ZINC000326828345 971332809 /nfs/dbraw/zinc/33/28/09/971332809.db2.gz ZYZZYTRYGHWZJZ-UHFFFAOYSA-N -2 0 377.340 3.723 20 0 GHADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1C ZINC001259220661 960679376 /nfs/dbraw/zinc/67/93/76/960679376.db2.gz FRXVEXXJSIHXLY-UHFFFAOYSA-N -2 0 387.816 3.604 20 0 GHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000320984200 970733907 /nfs/dbraw/zinc/73/39/07/970733907.db2.gz LQFQBFBWSKDBAZ-UHFFFAOYSA-N -2 0 375.855 3.689 20 0 GHADRL CC(C)c1nc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)sc1C(=O)[O-] ZINC001592030232 976733943 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20 0 GHADRL CCn1ncc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C(C)C)cc21 ZINC000500286851 841846843 /nfs/dbraw/zinc/84/68/43/841846843.db2.gz CTSWCNQTDFKKIO-UHFFFAOYSA-N -2 0 387.461 3.679 20 0 GHADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000326629242 843843638 /nfs/dbraw/zinc/84/36/38/843843638.db2.gz RPGYFKPIHCATPR-UHFFFAOYSA-N -2 0 383.853 3.936 20 0 GHADRL CNC(=O)c1ccc(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)c(Cl)c1 ZINC000657202945 845171329 /nfs/dbraw/zinc/17/13/29/845171329.db2.gz DVZOZESIOSOIAE-UHFFFAOYSA-N -2 0 389.835 3.708 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1 ZINC000326833381 846185934 /nfs/dbraw/zinc/18/59/34/846185934.db2.gz JDAAMORHUUGMHG-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000511149087 847486621 /nfs/dbraw/zinc/48/66/21/847486621.db2.gz CERISDPDRPYVTE-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1nc[n-]c1C(=O)c1ccccc1 ZINC000503665272 847872015 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20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000505130593 850654771 /nfs/dbraw/zinc/65/47/71/850654771.db2.gz VLZRQLDENZBATD-UHFFFAOYSA-N -2 0 375.855 3.526 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000507621183 853116289 /nfs/dbraw/zinc/11/62/89/853116289.db2.gz NMWRXAJUBXZFIB-UHFFFAOYSA-N -2 0 388.373 3.634 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC(C)C)cc1C(=O)[O-] ZINC000440817847 853639043 /nfs/dbraw/zinc/63/90/43/853639043.db2.gz RLGIWVQEGKOOTH-UHFFFAOYSA-N -2 0 393.461 3.544 20 0 GHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cs1 ZINC000189724052 855184510 /nfs/dbraw/zinc/18/45/10/855184510.db2.gz ZRPYJDNDTVACKL-UHFFFAOYSA-N -2 0 388.470 3.546 20 0 GHADRL Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000189749561 855191247 /nfs/dbraw/zinc/19/12/47/855191247.db2.gz MYUOYTPJTWKHJY-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn([C@H](C)c2ccccc2)n1 ZINC000675285787 857127376 /nfs/dbraw/zinc/12/73/76/857127376.db2.gz ZTWZMRHKIXHCSV-CQSZACIVSA-N -2 0 399.472 3.554 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn([C@@H](C)c3ccccc3)n2)c1C ZINC000675284414 857127465 /nfs/dbraw/zinc/12/74/65/857127465.db2.gz AXZZTQKHBFPGCG-HNNXBMFYSA-N -2 0 399.472 3.608 20 0 GHADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)cs1 ZINC000007230574 857223114 /nfs/dbraw/zinc/22/31/14/857223114.db2.gz YGWXNSQQHPLGKI-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCCC(C)C)c1 ZINC000064374005 857700639 /nfs/dbraw/zinc/70/06/39/857700639.db2.gz SPNNQOFEPNPEJA-UHFFFAOYSA-N -2 0 393.461 3.619 20 0 GHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000521414595 857973487 /nfs/dbraw/zinc/97/34/87/857973487.db2.gz WODOYJRCWVQYKU-UHFFFAOYSA-N -2 0 397.836 3.661 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)c(C)c1OCC(=O)[O-] ZINC000443461896 858737048 /nfs/dbraw/zinc/73/70/48/858737048.db2.gz PZDGAILXRDJSDB-UHFFFAOYSA-N -2 0 391.470 3.782 20 0 GHADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)c1 ZINC000738606684 859481622 /nfs/dbraw/zinc/48/16/22/859481622.db2.gz KMXBTVFKAKHVMM-UHFFFAOYSA-N -2 0 383.466 3.643 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c(O)c1 ZINC000484500344 860049987 /nfs/dbraw/zinc/04/99/87/860049987.db2.gz HWGNUGNUNQXQBM-UHFFFAOYSA-N -2 0 383.834 3.759 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000484972895 860562382 /nfs/dbraw/zinc/56/23/82/860562382.db2.gz RZCSGLKHHHWZJH-UHFFFAOYSA-N -2 0 386.429 3.523 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccc1 ZINC000522958226 863785130 /nfs/dbraw/zinc/78/51/30/863785130.db2.gz NCRACLGAMCUKHK-UHFFFAOYSA-N -2 0 396.877 4.000 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1C ZINC000480214799 864277168 /nfs/dbraw/zinc/27/71/68/864277168.db2.gz DDGLPZYBNDXHGD-ZDUSSCGKSA-N -2 0 393.509 3.516 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1C ZINC000480224023 864294843 /nfs/dbraw/zinc/29/48/43/864294843.db2.gz LGTIXLBFUJVCRS-LBPRGKRZSA-N -2 0 391.493 3.540 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000324742464 864373084 /nfs/dbraw/zinc/37/30/84/864373084.db2.gz NZEXWOILNQAHCS-UHFFFAOYSA-N -2 0 383.731 3.759 20 0 GHADRL CSc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000479183748 867327853 /nfs/dbraw/zinc/32/78/53/867327853.db2.gz FSKXBDVLLJPRQD-UHFFFAOYSA-N -2 0 391.392 3.926 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535137094 868234138 /nfs/dbraw/zinc/23/41/38/868234138.db2.gz IHSUTROHUGUSOM-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000446622565 870110244 /nfs/dbraw/zinc/11/02/44/870110244.db2.gz DQPKXUNDOTWZNX-UHFFFAOYSA-N -2 0 381.475 3.747 20 0 GHADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(C)c1 ZINC001192401886 870372676 /nfs/dbraw/zinc/37/26/76/870372676.db2.gz KAIXDOQWPBUMDI-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL CC(=O)c1ccsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192407840 870376370 /nfs/dbraw/zinc/37/63/70/870376370.db2.gz QTYDVHHABPDKTH-UHFFFAOYSA-N -2 0 394.257 3.757 20 0 GHADRL CCc1nccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192409293 870379366 /nfs/dbraw/zinc/37/93/66/870379366.db2.gz GJUULHBXQVNPBY-UHFFFAOYSA-N -2 0 389.260 3.758 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)cc1C(=O)[O-] ZINC001192608790 870539807 /nfs/dbraw/zinc/53/98/07/870539807.db2.gz VIFNZFNBXHCQRK-UHFFFAOYSA-N -2 0 392.458 3.502 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000462104841 871601615 /nfs/dbraw/zinc/60/16/15/871601615.db2.gz UPVRKSUUIPQBRZ-UHFFFAOYSA-N -2 0 389.404 3.877 20 0 GHADRL CCCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001195227396 872268879 /nfs/dbraw/zinc/26/88/79/872268879.db2.gz LKIRTACUEMLPHB-UHFFFAOYSA-N -2 0 385.388 3.643 20 0 GHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1 ZINC000540999972 872717247 /nfs/dbraw/zinc/71/72/47/872717247.db2.gz QCVISBXGQYTRPV-UHFFFAOYSA-N -2 0 384.457 3.751 20 0 GHADRL C=Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001196042972 872851744 /nfs/dbraw/zinc/85/17/44/872851744.db2.gz QHULYODBXQUFOQ-UHFFFAOYSA-N -2 0 382.235 3.591 20 0 GHADRL Cc1cc(C)cc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)c1 ZINC000769620903 874201152 /nfs/dbraw/zinc/20/11/52/874201152.db2.gz IPDHALCWORXTHO-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL COc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198729956 874585146 /nfs/dbraw/zinc/58/51/46/874585146.db2.gz BOJCRHWXNMUAEH-UHFFFAOYSA-N -2 0 383.425 3.861 20 0 GHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000541933111 874585300 /nfs/dbraw/zinc/58/53/00/874585300.db2.gz XGMFUFCQVGJGFS-UHFFFAOYSA-N -2 0 386.429 3.550 20 0 GHADRL Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc2[n-]c(=S)sc2c1 ZINC001201760204 875845446 /nfs/dbraw/zinc/84/54/46/875845446.db2.gz FKRABQLPTCYHCY-UHFFFAOYSA-N -2 0 377.925 3.804 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000776439389 876508957 /nfs/dbraw/zinc/50/89/57/876508957.db2.gz BSBVBDZSINNFFN-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL CCc1ncc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)s1 ZINC000460760600 878496018 /nfs/dbraw/zinc/49/60/18/878496018.db2.gz VNNJNRWQQBPQSZ-UHFFFAOYSA-N -2 0 381.262 3.511 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C(=O)[O-] ZINC000790388210 879658920 /nfs/dbraw/zinc/65/89/20/879658920.db2.gz YGCXMLYENRDHJL-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1C(=O)[O-] ZINC000790404345 879683917 /nfs/dbraw/zinc/68/39/17/879683917.db2.gz NZKAHZLFGVUCNX-UHFFFAOYSA-N -2 0 394.836 3.637 20 0 GHADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000919959748 881269239 /nfs/dbraw/zinc/26/92/39/881269239.db2.gz PEORCXSCFIYZEK-UHFFFAOYSA-N -2 0 393.852 3.610 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1Cl ZINC000328057466 884511440 /nfs/dbraw/zinc/51/14/40/884511440.db2.gz OWWHPOAKDFICKK-UHFFFAOYSA-N -2 0 395.742 3.738 20 0 GHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3c(Cl)ccc(F)c3F)ccc21 ZINC000556348860 884554491 /nfs/dbraw/zinc/55/44/91/884554491.db2.gz IIXGPFQPJLVSEH-UHFFFAOYSA-N -2 0 386.763 3.599 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(Br)s1 ZINC000032585641 887421522 /nfs/dbraw/zinc/42/15/22/887421522.db2.gz RRHPIVBGWHNPGQ-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cs1 ZINC000794606887 887659369 /nfs/dbraw/zinc/65/93/69/887659369.db2.gz BAYQDHGLSWZNHV-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL O=Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000874970809 892392762 /nfs/dbraw/zinc/39/27/62/892392762.db2.gz BXDWPAGZLPTKHB-UHFFFAOYSA-N -2 0 387.438 3.727 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)snc1-c1ccccc1 ZINC001186151488 914332905 /nfs/dbraw/zinc/33/29/05/914332905.db2.gz YBTIQTWJWGEHHO-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1 ZINC000779824537 908905566 /nfs/dbraw/zinc/90/55/66/908905566.db2.gz CSGHNZQAZOOHKS-UHFFFAOYSA-N -2 0 375.780 3.734 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2nccs2)c1 ZINC001187589760 915352712 /nfs/dbraw/zinc/35/27/12/915352712.db2.gz QFTXNURFXKGUKM-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001188311958 915879088 /nfs/dbraw/zinc/87/90/88/915879088.db2.gz DNOJXWSKOCWYMC-UHFFFAOYSA-N -2 0 383.853 3.842 20 0 GHADRL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142769 928046467 /nfs/dbraw/zinc/04/64/67/928046467.db2.gz NFLIHJNQADCHPC-UHFFFAOYSA-N -2 0 385.388 3.641 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)cc1C(=O)[O-] ZINC000753769152 929527504 /nfs/dbraw/zinc/52/75/04/929527504.db2.gz ITLJSQVHOFDWTO-UHFFFAOYSA-N -2 0 381.425 3.636 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000753768611 929527618 /nfs/dbraw/zinc/52/76/18/929527618.db2.gz FSPXGMHHKOYRAQ-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1Cl ZINC000753779870 929533423 /nfs/dbraw/zinc/53/34/23/929533423.db2.gz WINZPYYORJLJKY-UHFFFAOYSA-N -2 0 378.837 3.639 20 0 GHADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759114091 930278000 /nfs/dbraw/zinc/27/80/00/930278000.db2.gz LAVRNSLGYCZEPM-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL CC(F)(F)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000780415130 930510986 /nfs/dbraw/zinc/51/09/86/930510986.db2.gz MXVKRNATITTXTM-UHFFFAOYSA-N -2 0 375.780 3.951 20 0 GHADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(-c2coc(C)n2)cc1 ZINC000327618583 971413008 /nfs/dbraw/zinc/41/30/08/971413008.db2.gz MGRYSANFBGTLOP-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259218844 960676886 /nfs/dbraw/zinc/67/68/86/960676886.db2.gz LHNSLVNNNWIADC-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)n2)cc1 ZINC001588962703 962628185 /nfs/dbraw/zinc/62/81/85/962628185.db2.gz JYWFYUQHZIEKJR-XOKHGSTOSA-N -2 0 399.491 3.567 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)cs1 ZINC000545826906 974428372 /nfs/dbraw/zinc/42/83/72/974428372.db2.gz AMPOQDBULVMXNT-UHFFFAOYSA-N -2 0 383.781 3.502 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCc4ccc(C(=O)[O-])cc43)n2)c1 ZINC001591983087 976601045 /nfs/dbraw/zinc/60/10/45/976601045.db2.gz HAEGRAQWZWUIAN-UHFFFAOYSA-N -2 0 391.427 3.602 20 0 GHADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC001595121885 979498321 /nfs/dbraw/zinc/49/83/21/979498321.db2.gz CYKLHOGTAXYLEM-UHFFFAOYSA-N -2 0 389.886 3.594 20 0 GHADRL C[C@H](Cc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1)C(=O)[O-] ZINC001592872591 979730289 /nfs/dbraw/zinc/73/02/89/979730289.db2.gz JZFSVKRUVQSINC-SNVBAGLBSA-N -2 0 378.222 3.670 20 0 GHADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(SC(F)F)c1 ZINC001597790798 989316584 /nfs/dbraw/zinc/31/65/84/989316584.db2.gz KKDUZHOCBPODDR-UHFFFAOYSA-N -2 0 377.390 3.656 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c1 ZINC000156275419 1019645424 /nfs/dbraw/zinc/64/54/24/1019645424.db2.gz VHYSUCMRXHDHFZ-UHFFFAOYSA-N -2 0 393.223 3.522 20 0 GHADRL Cc1ccc(NC(=O)c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)nc2)cc1 ZINC001242160939 1035838420 /nfs/dbraw/zinc/83/84/20/1035838420.db2.gz RNYZTUSOOLWSJX-UHFFFAOYSA-N -2 0 376.368 3.706 20 0 GHADRL O=c1cc(-c2cc(Cl)ccc2Cl)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245927810 1037061721 /nfs/dbraw/zinc/06/17/21/1037061721.db2.gz WEEOTUCJWOCAKO-UHFFFAOYSA-N -2 0 385.228 3.798 20 0 GHADRL C[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1ncc(C(F)(F)F)cc1F ZINC001234334272 1039971907 /nfs/dbraw/zinc/97/19/07/1039971907.db2.gz FWOMXXKOSNWPNL-QMMMGPOBSA-N -2 0 381.218 3.851 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cccnc32)c(F)cc1Cl ZINC001259212015 1045012721 /nfs/dbraw/zinc/01/27/21/1045012721.db2.gz BHFNKMLCBXENPO-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL CC(C)(C)c1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259214373 1045014180 /nfs/dbraw/zinc/01/41/80/1045014180.db2.gz OIMDHWNDTXDEEK-UHFFFAOYSA-N -2 0 386.832 3.671 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2c([S-])cccc2Cl)c(F)cc1Cl ZINC001259221118 1045018099 /nfs/dbraw/zinc/01/80/99/1045018099.db2.gz RFKSWYLBFHQORN-UHFFFAOYSA-N -2 0 396.248 3.920 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc(O)ccc32)c(F)cc1Cl ZINC001259220468 1045018524 /nfs/dbraw/zinc/01/85/24/1045018524.db2.gz KDCZZTLFBCYKEB-UHFFFAOYSA-N -2 0 395.795 3.837 20 0 GHADRL Cc1ccnc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)cccc12 ZINC001259220608 1045018627 /nfs/dbraw/zinc/01/86/27/1045018627.db2.gz OHFGZXGAVOYAKR-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2[S-])c1 ZINC001259637676 1045252002 /nfs/dbraw/zinc/25/20/02/1045252002.db2.gz LZOVJPQVRVZUIT-UHFFFAOYSA-N -2 0 376.272 3.986 20 0 GHADRL CCc1cc(Br)cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260189784 1045405313 /nfs/dbraw/zinc/40/53/13/1045405313.db2.gz FZUWJHWBGIJGTH-UHFFFAOYSA-N -2 0 384.251 3.511 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)nn2C2CCC2)cc1 ZINC001260222060 1045419701 /nfs/dbraw/zinc/41/97/01/1045419701.db2.gz JLUHRIDCFISQBN-UHFFFAOYSA-N -2 0 397.456 3.774 20 0 GHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1sc2cccc(F)c2c1C ZINC001319061125 1055015139 /nfs/dbraw/zinc/01/51/39/1055015139.db2.gz ULXMDNOAQOCGAF-UHFFFAOYSA-N -2 0 395.433 3.856 20 0 GHADRL Cc1ccc([C@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cc1C ZINC000736746939 599986642 /nfs/dbraw/zinc/98/66/42/599986642.db2.gz PUDQNULBMCDPLD-LJQANCHMSA-N -2 0 394.427 3.627 20 0 GHADRL CCC1=C(C(=O)[O-])[C@H](c2ccccc2Cl)NC(=O)N1CCCCCC(=O)[O-] ZINC000736930977 599987941 /nfs/dbraw/zinc/98/79/41/599987941.db2.gz BKTBLTKHSQXPDR-KRWDZBQOSA-N -2 0 394.855 3.800 20 0 GHADRL CCCC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736973401 600004757 /nfs/dbraw/zinc/00/47/57/600004757.db2.gz JUQFFHHVQLHMSZ-LJQANCHMSA-N -2 0 394.427 3.790 20 0 GHADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000727361207 600099128 /nfs/dbraw/zinc/09/91/28/600099128.db2.gz HUTLKRNYCYOQBN-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL CCN(c1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1)C(C)C ZINC000737109281 600103012 /nfs/dbraw/zinc/10/30/12/600103012.db2.gz UCXDTXFHFQWPIY-UHFFFAOYSA-N -2 0 380.466 3.630 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)cn2)c1 ZINC000740271464 600104161 /nfs/dbraw/zinc/10/41/61/600104161.db2.gz KXGWYGPRCACGCD-UHFFFAOYSA-N -2 0 394.405 3.574 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)s1 ZINC000326836419 600105051 /nfs/dbraw/zinc/10/50/51/600105051.db2.gz KEHAJNRCZQVBTI-UHFFFAOYSA-N -2 0 380.491 3.628 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c(C)c1 ZINC000738358295 600237372 /nfs/dbraw/zinc/23/73/72/600237372.db2.gz SUACLAYGEBYYSP-UHFFFAOYSA-N -2 0 385.388 3.712 20 0 GHADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000740124461 600247450 /nfs/dbraw/zinc/24/74/50/600247450.db2.gz ZVAAKTXVFBCJHR-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL CN(Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000737485693 600300096 /nfs/dbraw/zinc/30/00/96/600300096.db2.gz BKJMLDXEJJYULB-UHFFFAOYSA-N -2 0 389.260 3.904 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2Oc2ccncc2)c1C(=O)[O-] ZINC000738743219 600423840 /nfs/dbraw/zinc/42/38/40/600423840.db2.gz AUGWVFMWNDTIMR-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000740288679 600541861 /nfs/dbraw/zinc/54/18/61/600541861.db2.gz FTGVYWTUHYGBRN-UHFFFAOYSA-N -2 0 385.772 3.919 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)cs1 ZINC000523124221 600683779 /nfs/dbraw/zinc/68/37/79/600683779.db2.gz AOFRBLFMAIAIBJ-UHFFFAOYSA-N -2 0 397.421 3.743 20 0 GHADRL Cc1oc(CN(C)C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])cc1C(=O)[O-] ZINC000738967135 600815932 /nfs/dbraw/zinc/81/59/32/600815932.db2.gz PTZAWSPJGIWCQX-UHFFFAOYSA-N -2 0 397.431 3.573 20 0 GHADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1 ZINC000833297176 600981881 /nfs/dbraw/zinc/98/18/81/600981881.db2.gz KJYYQMWPJPZZHK-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000747618324 601335114 /nfs/dbraw/zinc/33/51/14/601335114.db2.gz PXPKUDIVEVITOT-UHFFFAOYSA-N -2 0 395.452 3.948 20 0 GHADRL Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])n[nH]2)c1 ZINC000832874237 601605496 /nfs/dbraw/zinc/60/54/96/601605496.db2.gz FZGUBBGGSQDTRG-UHFFFAOYSA-N -2 0 385.445 3.501 20 0 GHADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c1C ZINC000327091459 601772249 /nfs/dbraw/zinc/77/22/49/601772249.db2.gz BECFFEQURYMTJT-UHFFFAOYSA-N -2 0 382.507 3.585 20 0 GHADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000829579203 601843796 /nfs/dbraw/zinc/84/37/96/601843796.db2.gz FWZVGVJEYVPMQO-UHFFFAOYSA-N -2 0 393.852 3.599 20 0 GHADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000740715554 602653495 /nfs/dbraw/zinc/65/34/95/602653495.db2.gz FGYIKWZCJPMQIN-UHFFFAOYSA-N -2 0 375.431 3.701 20 0 GHADRL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000832080247 604015011 /nfs/dbraw/zinc/01/50/11/604015011.db2.gz TZMDZTNJCZRXBV-UHFFFAOYSA-N -2 0 386.351 3.547 20 0 GHADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(F)c(Cl)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000833577011 604556458 /nfs/dbraw/zinc/55/64/58/604556458.db2.gz NYUUSCIDNVPZTK-MRXNPFEDSA-N -2 0 398.818 3.549 20 0 GHADRL CC(C)Sc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833508406 604689700 /nfs/dbraw/zinc/68/97/00/604689700.db2.gz QMNKJEWLYCIRGH-UHFFFAOYSA-N -2 0 386.882 3.735 20 0 GHADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Sc2ccncc2)cc1 ZINC000833348244 605010269 /nfs/dbraw/zinc/01/02/69/605010269.db2.gz QFLJSEYCLIBOGR-UHFFFAOYSA-N -2 0 392.483 3.793 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c(OC)c1C(=O)[O-] ZINC000833734690 605013455 /nfs/dbraw/zinc/01/34/55/605013455.db2.gz SVPMMVHJTYREDR-UHFFFAOYSA-N -2 0 393.461 3.635 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccc1C(=O)[O-] ZINC000323058596 836704093 /nfs/dbraw/zinc/70/40/93/836704093.db2.gz KJICIXYYHVFYEV-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000471976857 844386017 /nfs/dbraw/zinc/38/60/17/844386017.db2.gz GLTFAUUWCGUICD-UHFFFAOYSA-N -2 0 394.207 3.646 20 0 GHADRL Cc1sc(/C=C\c2ccc(OCC(=O)[O-])c(Br)c2)nc1C(=O)[O-] ZINC000549619312 841990175 /nfs/dbraw/zinc/99/01/75/841990175.db2.gz CFMUCPZQVKPXEL-HYXAFXHYSA-N -2 0 398.234 3.546 20 0 GHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548205462 842157399 /nfs/dbraw/zinc/15/73/99/842157399.db2.gz ZKVIZVMBPKXTJC-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL COc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(C(=O)[O-])c1 ZINC000548262273 842323894 /nfs/dbraw/zinc/32/38/94/842323894.db2.gz KIWCNERQQWVYMU-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000548283264 842399137 /nfs/dbraw/zinc/39/91/37/842399137.db2.gz OLLQGUFOELBEBW-UHFFFAOYSA-N -2 0 384.457 3.706 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000327451622 842703722 /nfs/dbraw/zinc/70/37/22/842703722.db2.gz UIIZSAMPKPQMKE-UHFFFAOYSA-N -2 0 380.491 3.546 20 0 GHADRL C[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)CC1 ZINC000119910088 846481575 /nfs/dbraw/zinc/48/15/75/846481575.db2.gz DIVLPEWWMCXZSM-ZDUSSCGKSA-N -2 0 394.518 3.517 20 0 GHADRL C[C@H](Oc1ccc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1)C(=O)[O-] ZINC000504742248 850279745 /nfs/dbraw/zinc/27/97/45/850279745.db2.gz OXWRMLPAJWDKRS-UQTJOTSZSA-N -2 0 390.395 3.864 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435476303 850578782 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390.642 3.602 20 0 GHADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c1 ZINC000833297462 600988694 /nfs/dbraw/zinc/98/86/94/600988694.db2.gz OLKUEAQJQGZHLE-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1O ZINC000738399768 601116928 /nfs/dbraw/zinc/11/69/28/601116928.db2.gz RQUCZJDMTDDVQZ-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000831944899 601150977 /nfs/dbraw/zinc/15/09/77/601150977.db2.gz BDZTYZRARZEADD-UHFFFAOYSA-N -2 0 397.474 3.577 20 0 GHADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc2)cs1 ZINC000832991411 601231450 /nfs/dbraw/zinc/23/14/50/601231450.db2.gz RHUTWVQWZXGSHM-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000324075448 601318378 /nfs/dbraw/zinc/31/83/78/601318378.db2.gz YSIVHMZIVXIAJU-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL CN(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000324876270 601359863 /nfs/dbraw/zinc/35/98/63/601359863.db2.gz LNMCGXJGKSELSE-UHFFFAOYSA-N -2 0 389.260 3.558 20 0 GHADRL Cc1ccc(Oc2ccccc2)c([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000832953233 601487332 /nfs/dbraw/zinc/48/73/32/601487332.db2.gz DBJSPZYPGANBNH-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)c1C(=O)[O-] ZINC000832972786 601605422 /nfs/dbraw/zinc/60/54/22/601605422.db2.gz MWZFEJOYWLWUMX-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnccc1-c1cccc(F)c1 ZINC000832868000 601795245 /nfs/dbraw/zinc/79/52/45/601795245.db2.gz HXVGKNQTIAWVMG-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(Cl)cc1F ZINC000063877042 601829859 /nfs/dbraw/zinc/82/98/59/601829859.db2.gz SLCRWTAVAFOVIZ-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877754 601836243 /nfs/dbraw/zinc/83/62/43/601836243.db2.gz 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Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(OCCC(C)C)c1 ZINC000467761186 929380539 /nfs/dbraw/zinc/38/05/39/929380539.db2.gz ZEYDAHBUYJBVOG-UHFFFAOYSA-N -2 0 381.450 3.820 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3ccncc32)c1Cl ZINC000753780692 929534897 /nfs/dbraw/zinc/53/48/97/929534897.db2.gz VGWQSAFLWCCNKC-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)c2)n1 ZINC000467936283 929609945 /nfs/dbraw/zinc/60/99/45/929609945.db2.gz XGXFNODMEGZZDA-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2)n1 ZINC000470440526 930617115 /nfs/dbraw/zinc/61/71/15/930617115.db2.gz IVBYGWGTPFHHEY-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL C[C@H](c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1)C1CC1 ZINC000547227715 930823794 /nfs/dbraw/zinc/82/37/94/930823794.db2.gz PNVVFYRLVOWUJY-JTQLQIEISA-N -2 0 391.474 3.818 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777936659 934225897 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1037063148 /nfs/dbraw/zinc/06/31/48/1037063148.db2.gz VRJDYXWYMIRXFX-UHFFFAOYSA-N -2 0 385.228 3.798 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cccc4n[nH]cc43)cc2)c1 ZINC001237652105 1042304579 /nfs/dbraw/zinc/30/45/79/1042304579.db2.gz IJPLUDXDCSGNEQ-UHFFFAOYSA-N -2 0 393.424 3.729 20 0 GHADRL O=S(=O)([N-]c1ccc2[n-]c(=S)sc2c1)c1cc(F)c(F)cc1F ZINC001259040477 1044930439 /nfs/dbraw/zinc/93/04/39/1044930439.db2.gz MMZIXEGLPDJKSY-UHFFFAOYSA-N -2 0 376.406 3.803 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(F)(F)F)ccc1O ZINC001260398901 1045487102 /nfs/dbraw/zinc/48/71/02/1045487102.db2.gz HCTVSWGMMDVEEA-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL O=S(=O)([N-]c1nsc2ncccc12)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869477 1045727364 /nfs/dbraw/zinc/72/73/64/1045727364.db2.gz UCVMWQYIUYNUSM-UHFFFAOYSA-N -2 0 376.246 3.505 20 0 GHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001321632441 1056346162 /nfs/dbraw/zinc/34/61/62/1056346162.db2.gz YURPFCJZHNSJKO-UHFFFAOYSA-N -2 0 389.260 3.597 20 0 GHADRL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000547545600 599801927 /nfs/dbraw/zinc/80/19/27/599801927.db2.gz NONDUMLEVDWZNL-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1Cl ZINC000519229261 599885735 /nfs/dbraw/zinc/88/57/35/599885735.db2.gz DGUBBKYFWAETDQ-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1cc(C)c([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1C ZINC000736744984 599987911 /nfs/dbraw/zinc/98/79/11/599987911.db2.gz GHXVFXOBSJJJSE-LJQANCHMSA-N -2 0 388.464 3.682 20 0 GHADRL CCC1=C(C(=O)[O-])[C@@H](c2ccccc2F)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736932782 600004823 /nfs/dbraw/zinc/00/48/23/600004823.db2.gz WEPSRNQKVOIYDL-GOSISDBHSA-N -2 0 398.390 3.539 20 0 GHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000737939356 600006891 /nfs/dbraw/zinc/00/68/91/600006891.db2.gz FPVPTACGQDTGJH-UHFFFAOYSA-N -2 0 383.425 3.861 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(C(=O)[O-])c3)s2)cc1 ZINC000738659819 600055744 /nfs/dbraw/zinc/05/57/44/600055744.db2.gz GWMFHEKAIRADLH-UHFFFAOYSA-N -2 0 388.470 3.541 20 0 GHADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000740144257 600098256 /nfs/dbraw/zinc/09/82/56/600098256.db2.gz LMWKWZXYIGUBJB-UHFFFAOYSA-N -2 0 379.409 3.646 20 0 GHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738802718 600101080 /nfs/dbraw/zinc/10/10/80/600101080.db2.gz OQSLEELBYQLSSP-UHFFFAOYSA-N -2 0 375.381 3.573 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2OCC2CCCCC2)cc1 ZINC000740186733 600104322 /nfs/dbraw/zinc/10/43/22/600104322.db2.gz RITTVLXIGHFFFH-UHFFFAOYSA-N -2 0 390.461 3.540 20 0 GHADRL CC(C)Cn1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736455016 600243959 /nfs/dbraw/zinc/24/39/59/600243959.db2.gz KIKKJTFHYBCIAC-UHFFFAOYSA-N -2 0 399.472 3.705 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)c1 ZINC000740145047 600459507 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GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C ZINC000831945893 601204711 /nfs/dbraw/zinc/20/47/11/601204711.db2.gz LFIHXHXZFMMINU-UHFFFAOYSA-N -2 0 395.380 3.583 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(Cl)cc1Cl ZINC000833304043 601331129 /nfs/dbraw/zinc/33/11/29/601331129.db2.gz MJNMFBLDMLHHKO-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000476389180 601334821 /nfs/dbraw/zinc/33/48/21/601334821.db2.gz KZCPYDHBVUERIA-UHFFFAOYSA-N -2 0 383.491 3.871 20 0 GHADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489747737 601474832 /nfs/dbraw/zinc/47/48/32/601474832.db2.gz SFOBJHJOZXWTPK-UHFFFAOYSA-N -2 0 391.779 3.749 20 0 GHADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1O ZINC000743260724 601484789 /nfs/dbraw/zinc/48/47/89/601484789.db2.gz HWZWDWUHJVTMRP-UHFFFAOYSA-N -2 0 394.207 3.646 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3C)s2)ccc1C(=O)[O-] ZINC000832904660 601627875 /nfs/dbraw/zinc/62/78/75/601627875.db2.gz XLLMSKNUZQRXQS-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)n2)c1 ZINC000827128922 601756703 /nfs/dbraw/zinc/75/67/03/601756703.db2.gz CQNXYLOKZAHKRC-UHFFFAOYSA-N -2 0 391.427 3.556 20 0 GHADRL Cc1cc(SC(C)(C)C)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832904823 601839903 /nfs/dbraw/zinc/83/99/03/601839903.db2.gz AQRUQQSJEMGYFX-UHFFFAOYSA-N -2 0 386.520 3.841 20 0 GHADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(Sc2ccccc2)c1 ZINC000833345417 601841563 /nfs/dbraw/zinc/84/15/63/601841563.db2.gz BEXKOCVYFNLLNQ-UHFFFAOYSA-N -2 0 392.483 3.793 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)o1 ZINC000833323686 601864914 /nfs/dbraw/zinc/86/49/14/601864914.db2.gz ZSGAYXZSRPMPGK-UHFFFAOYSA-N -2 0 398.396 3.511 20 0 GHADRL Cc1coc(-c2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc2C)n1 ZINC000477413018 601989249 /nfs/dbraw/zinc/98/92/49/601989249.db2.gz MQVVFMROPMEGOX-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])ccc2C)n1 ZINC000832987748 601989823 /nfs/dbraw/zinc/98/98/23/601989823.db2.gz LCRYTVDZMIBSOU-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000740701987 603057511 /nfs/dbraw/zinc/05/75/11/603057511.db2.gz PHAXCUYPJMPKKT-UHFFFAOYSA-N -2 0 392.293 3.696 20 0 GHADRL CC(C)COc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC000833490393 604759191 /nfs/dbraw/zinc/75/91/91/604759191.db2.gz DMZQYEUWSXYNQP-UHFFFAOYSA-N -2 0 396.490 3.554 20 0 GHADRL Cc1sc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(C(=O)[O-])c1C ZINC000833758451 605022753 /nfs/dbraw/zinc/02/27/53/605022753.db2.gz YEZGBVYICCWKEX-UHFFFAOYSA-N -2 0 395.380 3.763 20 0 GHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C(C)C ZINC000499269597 605151124 /nfs/dbraw/zinc/15/11/24/605151124.db2.gz VPDPOEGEMMJSPC-UHFFFAOYSA-N -2 0 399.900 3.815 20 0 GHADRL CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2C1 ZINC000833483085 605343026 /nfs/dbraw/zinc/34/30/26/605343026.db2.gz GORTUNVZIAGTAI-UHFFFAOYSA-N -2 0 394.518 3.609 20 0 GHADRL Cc1cc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])ccc1Cl ZINC000833577382 605599301 /nfs/dbraw/zinc/59/93/01/605599301.db2.gz POMXMLVNEVYTFP-QGZVFWFLSA-N -2 0 394.855 3.718 20 0 GHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c1 ZINC000833900961 606000360 /nfs/dbraw/zinc/00/03/60/606000360.db2.gz ADSLOCJBSWBIGM-UHFFFAOYSA-N -2 0 385.239 3.648 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)nn1C1CCCCC1 ZINC000583725329 834934916 /nfs/dbraw/zinc/93/49/16/834934916.db2.gz FHTVUOMVZKHBGE-UHFFFAOYSA-N -2 0 391.493 3.515 20 0 GHADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000327289849 836212333 /nfs/dbraw/zinc/21/23/33/836212333.db2.gz MJVTWKAXNIIFDC-UHFFFAOYSA-N -2 0 396.774 3.679 20 0 GHADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1C(=O)[O-] ZINC000547870478 837318338 /nfs/dbraw/zinc/31/83/38/837318338.db2.gz AVGUFEQNQSIARQ-UHFFFAOYSA-N -2 0 397.408 3.551 20 0 GHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000471586565 839708044 /nfs/dbraw/zinc/70/80/44/839708044.db2.gz QXPDFBCLOFNFAW-HNNXBMFYSA-N -2 0 399.472 3.608 20 0 GHADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1F ZINC000317407019 842139442 /nfs/dbraw/zinc/13/94/42/842139442.db2.gz HNPCHBYOMKHJEX-UHFFFAOYSA-N -2 0 388.200 3.832 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2F)cc(Cl)c1Cl ZINC000481436659 861357015 /nfs/dbraw/zinc/35/70/15/861357015.db2.gz NUAUMXOKHQPLDE-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL O=S(=O)([N-]c1ccc(-c2nc(-c3ccccc3)no2)c([O-])c1)c1cccs1 ZINC000184825414 842974425 /nfs/dbraw/zinc/97/44/25/842974425.db2.gz FNDVGSQIDJCYMG-UHFFFAOYSA-N -2 0 399.453 3.972 20 0 GHADRL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000471987546 844912705 /nfs/dbraw/zinc/91/27/05/844912705.db2.gz ZXCYOSGDUYKICX-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cnn1-c1ccccc1 ZINC000435144409 850144198 /nfs/dbraw/zinc/14/41/98/850144198.db2.gz FPRFDIIBYUUGNG-UHFFFAOYSA-N -2 0 399.472 3.803 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1F ZINC000435490407 850573002 /nfs/dbraw/zinc/57/30/02/850573002.db2.gz HBNQWQFXTNXYGS-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cscc2C(F)F)cc1)C(=O)[O-] ZINC000899919526 862183722 /nfs/dbraw/zinc/18/37/22/862183722.db2.gz RUAGTMBBOQXFLV-SECBINFHSA-N -2 0 375.418 3.750 20 0 GHADRL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000048382849 851917518 /nfs/dbraw/zinc/91/75/18/851917518.db2.gz MGXPLEWPOBCFBT-UHFFFAOYSA-N -2 0 383.853 3.935 20 0 GHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c1 ZINC000436781569 852333910 /nfs/dbraw/zinc/33/39/10/852333910.db2.gz DLYOCPAJUIYJRP-UHFFFAOYSA-N -2 0 389.351 3.527 20 0 GHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1)C(=O)[O-] ZINC000507621191 853116463 /nfs/dbraw/zinc/11/64/63/853116463.db2.gz NNYUHCJBBZFKJQ-SECBINFHSA-N -2 0 389.857 3.845 20 0 GHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1)C(=O)[O-] ZINC000507632839 853128482 /nfs/dbraw/zinc/12/84/82/853128482.db2.gz BSMJZCIFYZUEQT-GFCCVEGCSA-N -2 0 388.470 3.601 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000441380972 854167125 /nfs/dbraw/zinc/16/71/25/854167125.db2.gz GTMPNKNLERLQJD-UHFFFAOYSA-N -2 0 389.351 3.647 20 0 GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000183347041 858724669 /nfs/dbraw/zinc/72/46/69/858724669.db2.gz VZMUFZAZTKCWRP-UHFFFAOYSA-N -2 0 398.440 3.638 20 0 GHADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000765142885 859809132 /nfs/dbraw/zinc/80/91/32/859809132.db2.gz YNGBCDXOLTUMEY-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000671663521 860586059 /nfs/dbraw/zinc/58/60/59/860586059.db2.gz UAINBEOURRJYGF-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cnn1C(CC)CC ZINC000480229527 864303183 /nfs/dbraw/zinc/30/31/83/864303183.db2.gz PIICJRVXLTXQDF-UHFFFAOYSA-N -2 0 393.509 3.868 20 0 GHADRL Cc1cc(S(=O)(=O)Nc2ccc(C)c(-c3ncco3)c2)cc(C(=O)[O-])c1C ZINC000164727786 864631010 /nfs/dbraw/zinc/63/10/10/864631010.db2.gz LWLFNUAGFAVPAU-UHFFFAOYSA-N -2 0 386.429 3.766 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000327926961 864789415 /nfs/dbraw/zinc/78/94/15/864789415.db2.gz MPXHXZICLUDAQT-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cnn1C1CCCC1 ZINC000194220979 882058382 /nfs/dbraw/zinc/05/83/82/882058382.db2.gz CKEVDFLVZMQYDH-UHFFFAOYSA-N -2 0 391.493 3.929 20 0 GHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1C(=O)[O-] ZINC000479287866 867489729 /nfs/dbraw/zinc/48/97/29/867489729.db2.gz SPPZOTUZKORAPQ-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000479481393 867847537 /nfs/dbraw/zinc/84/75/37/867847537.db2.gz PMFWOADKMHTNFR-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccccc2SC(F)F)c1 ZINC000743835713 868445437 /nfs/dbraw/zinc/44/54/37/868445437.db2.gz FACKJJOOTNNBPK-UHFFFAOYSA-N -2 0 389.401 3.514 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c1 ZINC000745977062 869922963 /nfs/dbraw/zinc/92/29/63/869922963.db2.gz PQKCCFLPIMDLLE-UHFFFAOYSA-N -2 0 379.409 3.646 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1 ZINC000745979273 869924034 /nfs/dbraw/zinc/92/40/34/869924034.db2.gz WYYNVOAQWMVBMV-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1OC(C)C ZINC000766386163 870671910 /nfs/dbraw/zinc/67/19/10/870671910.db2.gz NYVCZAMUHMUTHM-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000540213078 870745250 /nfs/dbraw/zinc/74/52/50/870745250.db2.gz JEFNQAFENGQUKU-UHFFFAOYSA-N -2 0 393.461 3.760 20 0 GHADRL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1cnccc1Cl ZINC001192897802 870753828 /nfs/dbraw/zinc/75/38/28/870753828.db2.gz XYMFIDDBHRMOML-UHFFFAOYSA-N -2 0 379.688 3.587 20 0 GHADRL O=C(Nc1nc(Br)ccc1O)c1ccc(O)cc1C(F)(F)F ZINC001193732898 871250879 /nfs/dbraw/zinc/25/08/79/871250879.db2.gz CHQJQCUKBHBJCE-UHFFFAOYSA-N -2 0 377.116 3.526 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(Cl)c(Cl)c2)c(Cl)cc1F ZINC001193971771 871409758 /nfs/dbraw/zinc/40/97/58/871409758.db2.gz KXNFIDZBKADEQW-UHFFFAOYSA-N -2 0 399.614 3.680 20 0 GHADRL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)on1 ZINC001193973170 871410769 /nfs/dbraw/zinc/41/07/69/871410769.db2.gz NTDDXDPKTAWZOE-UHFFFAOYSA-N -2 0 390.820 3.555 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1cc(C)ccc1C ZINC000161831708 871647215 /nfs/dbraw/zinc/64/72/15/871647215.db2.gz SHQLPOVGSZXFFW-UHFFFAOYSA-N -2 0 399.472 3.605 20 0 GHADRL CCC(C)(C)c1ccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cc1 ZINC000447790258 872304366 /nfs/dbraw/zinc/30/43/66/872304366.db2.gz ZKNPWGHIQSKQAP-UHFFFAOYSA-N -2 0 391.489 3.811 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ncc(Cl)cc3c2)c(F)cc1F ZINC001195239298 872306043 /nfs/dbraw/zinc/30/60/43/872306043.db2.gz XWDWGXPXTPJZLB-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000552394585 872560936 /nfs/dbraw/zinc/56/09/36/872560936.db2.gz WNIPDQLGCXTCDX-UHFFFAOYSA-N -2 0 381.475 3.877 20 0 GHADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cc1C ZINC000775679146 872810004 /nfs/dbraw/zinc/81/00/04/872810004.db2.gz OIHKJHBKMPYBSA-JTQLQIEISA-N -2 0 385.873 3.623 20 0 GHADRL CCc1cccnc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196068423 872859584 /nfs/dbraw/zinc/85/95/84/872859584.db2.gz PJLASMLHFJZKBT-UHFFFAOYSA-N -2 0 382.441 3.810 20 0 GHADRL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)n1 ZINC001196074277 872864273 /nfs/dbraw/zinc/86/42/73/872864273.db2.gz BADRJUWKDHRPLW-UHFFFAOYSA-N -2 0 382.441 3.864 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccnn3C3CCC3)cc2)c1 ZINC001196075792 872865599 /nfs/dbraw/zinc/86/55/99/872865599.db2.gz UWFQKNVXIAEUSA-UHFFFAOYSA-N -2 0 397.456 3.774 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc2ccccc21 ZINC000785488324 876071870 /nfs/dbraw/zinc/07/18/70/876071870.db2.gz RZHGODWMLUJIKG-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1)C(=O)[O-] ZINC000551915515 877991718 /nfs/dbraw/zinc/99/17/18/877991718.db2.gz JXIYYMKDKYGTPZ-NSHDSACASA-N -2 0 377.443 3.799 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)c1 ZINC000538298507 879208214 /nfs/dbraw/zinc/20/82/14/879208214.db2.gz JTMBXBKRPRIBFC-UHFFFAOYSA-N -2 0 399.453 3.586 20 0 GHADRL COc1ccc2c(c1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1)CCC2 ZINC000790407286 879686018 /nfs/dbraw/zinc/68/60/18/879686018.db2.gz CDXSIOGONSQRAB-UHFFFAOYSA-N -2 0 395.864 3.645 20 0 GHADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000776747620 879882609 /nfs/dbraw/zinc/88/26/09/879882609.db2.gz HBRPXSODHOCISR-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL Cc1cc(C(=O)N(CC(C)C)c2ccc(Cl)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000531636012 880235393 /nfs/dbraw/zinc/23/53/93/880235393.db2.gz NCUGBNKUQKIRHP-UHFFFAOYSA-N -2 0 386.839 3.701 20 0 GHADRL COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000842585066 884779441 /nfs/dbraw/zinc/77/94/41/884779441.db2.gz QKXAZYJFSLCTCW-UHFFFAOYSA-N -2 0 399.415 3.770 20 0 GHADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c1 ZINC000761900325 884949149 /nfs/dbraw/zinc/94/91/49/884949149.db2.gz IDIPQPDNMUNYSG-UHFFFAOYSA-N -2 0 381.837 3.658 20 0 GHADRL CCCOc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000863427737 887098450 /nfs/dbraw/zinc/09/84/50/887098450.db2.gz BOQBRYDHNSXEFR-UHFFFAOYSA-N -2 0 377.462 3.602 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)cc1C(=O)[O-] ZINC001184660200 913349610 /nfs/dbraw/zinc/34/96/10/913349610.db2.gz VJQSZCMOVILFDM-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000126801404 893911776 /nfs/dbraw/zinc/91/17/76/893911776.db2.gz NTOUVWNZUOINGO-UHFFFAOYSA-N -2 0 391.232 3.666 20 0 GHADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000566894936 896676152 /nfs/dbraw/zinc/67/61/52/896676152.db2.gz RDMUIPJQPYFYHS-UHFFFAOYSA-N -2 0 384.479 3.718 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1 ZINC000778567307 896810548 /nfs/dbraw/zinc/81/05/48/896810548.db2.gz QXINLXCOIIBAKD-UHFFFAOYSA-N -2 0 377.805 3.698 20 0 GHADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc3cccnc32)cc1 ZINC000821106410 897748890 /nfs/dbraw/zinc/74/88/90/897748890.db2.gz HGGSANNHVQOXKL-UHFFFAOYSA-N -2 0 386.429 3.521 20 0 GHADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2c(O)cccc2Cl)c1 ZINC000821110974 897750084 /nfs/dbraw/zinc/75/00/84/897750084.db2.gz CWRGIHDJJVIVFP-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC001186188694 914350479 /nfs/dbraw/zinc/35/04/79/914350479.db2.gz QAOBZHRXQKDDFC-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000573765199 900623145 /nfs/dbraw/zinc/62/31/45/900623145.db2.gz HJKJKOAHUHOJIB-UHFFFAOYSA-N -2 0 398.850 3.556 20 0 GHADRL Cc1nn(-c2ccccc2)c(=NC(=O)c2cc(Cc3ccccc3)ccc2[O-])[n-]1 ZINC001148952312 904255649 /nfs/dbraw/zinc/25/56/49/904255649.db2.gz FDRDNPBELDRWLQ-UHFFFAOYSA-N -2 0 384.439 3.546 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cnc1Cl ZINC000773250339 904615037 /nfs/dbraw/zinc/61/50/37/904615037.db2.gz CHBIVXBMPGKYBN-UHFFFAOYSA-N -2 0 388.898 3.901 20 0 GHADRL Cc1c(Br)cnc(Cl)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239630 907999801 /nfs/dbraw/zinc/99/98/01/907999801.db2.gz QLWLPOPWDPHJIG-UHFFFAOYSA-N -2 0 385.601 3.946 20 0 GHADRL O=C([O-])c1cc(Nc2ccc(OC[C@@H]3CCCO3)c(F)c2)cc(C(=O)[O-])c1 ZINC001176241533 908000298 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ZJRKXMDEGCQQPN-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(C(=O)[O-])c(C)c3)cn2)cc1 ZINC001243213950 1036066220 /nfs/dbraw/zinc/06/62/20/1036066220.db2.gz HWTGKJDPEVOCIM-UHFFFAOYSA-N -2 0 382.441 3.864 20 0 GHADRL O=S(=O)([N-]c1cccc(F)c1)c1cccnc1-c1ccc([O-])c(F)c1F ZINC001243338217 1036118822 /nfs/dbraw/zinc/11/88/22/1036118822.db2.gz CHYPSLNPULNYCO-UHFFFAOYSA-N -2 0 380.347 3.672 20 0 GHADRL O=c1cc(-c2cc(Cl)ccc2Cl)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245927450 1037061078 /nfs/dbraw/zinc/06/10/78/1037061078.db2.gz SQMUFYVJYDNLCZ-UHFFFAOYSA-N -2 0 385.228 3.798 20 0 GHADRL CCCCOc1ccc(-c2nnc(-c3cc(S(=O)(=O)[O-])ccc3[O-])o2)cc1 ZINC001252374743 1038962640 /nfs/dbraw/zinc/96/26/40/1038962640.db2.gz KTBSZLXSTVBSLR-UHFFFAOYSA-N -2 0 390.417 3.535 20 0 GHADRL O=C([O-])c1cc(-c2nnc(-c3ccc4ccccc4c3)o2)cc(S(=O)(=O)[O-])c1 ZINC001256052997 1041496248 /nfs/dbraw/zinc/49/62/48/1041496248.db2.gz RQVZNEXRFDHXNR-UHFFFAOYSA-N -2 0 396.380 3.502 20 0 GHADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cl)c2ccccc21 ZINC001256311291 1041697213 /nfs/dbraw/zinc/69/72/13/1041697213.db2.gz GOJCOYMLODHOBY-UHFFFAOYSA-N -2 0 397.861 3.541 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2csc3cnccc23)c(F)cc1Cl ZINC001259213675 1045014188 /nfs/dbraw/zinc/01/41/88/1045014188.db2.gz GSJBOGQDOBQAPT-UHFFFAOYSA-N -2 0 386.813 3.588 20 0 GHADRL CCOc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259218797 1045015381 /nfs/dbraw/zinc/01/53/81/1045015381.db2.gz JQBGQGGKQYXYJZ-UHFFFAOYSA-N -2 0 387.816 3.685 20 0 GHADRL Cc1ccnc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)ccc12 ZINC001259220626 1045018181 /nfs/dbraw/zinc/01/81/81/1045018181.db2.gz OXGLAGIMQICWSB-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnc3cc(Cl)ccc23)c1 ZINC001260210161 1045415628 /nfs/dbraw/zinc/41/56/28/1045415628.db2.gz QZGFQENEBJTJBA-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)c2ccccc2-3)c1 ZINC001260215713 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3.748 20 0 GHADRL Cc1csc(Sc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)n1 ZINC000738819828 599737822 /nfs/dbraw/zinc/73/78/22/599737822.db2.gz DLRDCZRMDUNSFP-UHFFFAOYSA-N -2 0 396.471 3.695 20 0 GHADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000739874637 599927790 /nfs/dbraw/zinc/92/77/90/599927790.db2.gz UNZRSDITRSIGEG-UHFFFAOYSA-N -2 0 389.857 3.598 20 0 GHADRL C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000066814175 599974278 /nfs/dbraw/zinc/97/42/78/599974278.db2.gz FTCTYSMCJQFRRI-JTQLQIEISA-N -2 0 382.488 3.641 20 0 GHADRL O=C([O-])CSCc1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000739873161 599986262 /nfs/dbraw/zinc/98/62/62/599986262.db2.gz MMKGZBSWTBDENU-UHFFFAOYSA-N -2 0 379.478 3.758 20 0 GHADRL CCC1=C(C(=O)[O-])[C@H](c2ccc(F)cc2C)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932395 599988319 /nfs/dbraw/zinc/98/83/19/599988319.db2.gz PRJSMKQWBOJDSR-SFHVURJKSA-N -2 0 392.427 3.594 20 0 GHADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000327124475 600052632 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385.445 3.687 20 0 GHADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)cs1 ZINC000013301861 860330577 /nfs/dbraw/zinc/33/05/77/860330577.db2.gz RJQSMQDIHAOBQE-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL Cc1cccc(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)[O-])c1 ZINC000484930593 860494263 /nfs/dbraw/zinc/49/42/63/860494263.db2.gz ZILQJALSDZDTME-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000484955056 860523670 /nfs/dbraw/zinc/52/36/70/860523670.db2.gz GJCROGNGFPZEGQ-UHFFFAOYSA-N -2 0 385.441 3.666 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1Cl ZINC000761291499 860641733 /nfs/dbraw/zinc/64/17/33/860641733.db2.gz UQXZRSLICBRDFO-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000480190294 864239346 /nfs/dbraw/zinc/23/93/46/864239346.db2.gz FODHKEZYQUFRJI-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CCOc1cc([N-]S(=O)(=O)c2ccc(CC)s2)c(C(=O)[O-])cc1OCC ZINC000620709133 867118692 /nfs/dbraw/zinc/11/86/92/867118692.db2.gz IAPCPMGBEISSOP-UHFFFAOYSA-N -2 0 399.490 3.607 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)cccc1C(=O)[O-] ZINC000742235493 867148354 /nfs/dbraw/zinc/14/83/54/867148354.db2.gz QKSBQXIPBATBRJ-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1C(=O)[O-] ZINC000479263966 867454882 /nfs/dbraw/zinc/45/48/82/867454882.db2.gz AOQRVYIPFUDDCH-UHFFFAOYSA-N -2 0 397.865 3.599 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1C(=O)[O-] ZINC000793445276 882189329 /nfs/dbraw/zinc/18/93/29/882189329.db2.gz ULMHDZUGCQOIQC-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cc1F ZINC000446649676 870174989 /nfs/dbraw/zinc/17/49/89/870174989.db2.gz VHDCSPHXTLJMDA-UHFFFAOYSA-N -2 0 387.454 3.692 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CC3)nc2)c(Cl)cc1Cl ZINC001192407952 870377906 /nfs/dbraw/zinc/37/79/06/870377906.db2.gz TVHHOZLEGBUBNP-UHFFFAOYSA-N -2 0 387.244 3.765 20 0 GHADRL CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3[n-]c(=S)sc3c2)c1 ZINC001192820897 870696092 /nfs/dbraw/zinc/69/60/92/870696092.db2.gz FZACFDRKJPTSOK-UHFFFAOYSA-N -2 0 380.516 3.957 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc(F)c1F ZINC001194021878 871439791 /nfs/dbraw/zinc/43/97/91/871439791.db2.gz FLSWKWUXWJSRGX-UHFFFAOYSA-N -2 0 379.743 3.565 20 0 GHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000181768633 871458560 /nfs/dbraw/zinc/45/85/60/871458560.db2.gz SEOVQZXESPFDAX-VIFPVBQESA-N -2 0 389.260 3.767 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000462078394 871578145 /nfs/dbraw/zinc/57/81/45/871578145.db2.gz YEQLDVVLNCLSMT-UHFFFAOYSA-N -2 0 378.406 3.526 20 0 GHADRL Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001194642022 871846968 /nfs/dbraw/zinc/84/69/68/871846968.db2.gz AAEOSWLYQVWYDS-UHFFFAOYSA-N -2 0 391.470 3.504 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2C(F)(F)F)c(F)cc1F ZINC001195234268 872243369 /nfs/dbraw/zinc/24/33/69/872243369.db2.gz GWDBJUPDUKOGNV-UHFFFAOYSA-N -2 0 399.268 3.622 20 0 GHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(C3CC3)c2)c1 ZINC001196047505 872854988 /nfs/dbraw/zinc/85/49/88/872854988.db2.gz UAOXRPHIRMDXFG-UHFFFAOYSA-N -2 0 396.262 3.826 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000527284290 872898934 /nfs/dbraw/zinc/89/89/34/872898934.db2.gz SMJICGHFZXPVJR-NSHDSACASA-N -2 0 397.884 3.623 20 0 GHADRL COc1ccc(F)c(S(=O)(=O)[N-]c2ccc([C@@H](C(=O)[O-])C(C)(C)C)cc2)c1 ZINC001196764316 873336143 /nfs/dbraw/zinc/33/61/43/873336143.db2.gz MYOCWKFPDDWKMP-KRWDZBQOSA-N -2 0 395.452 3.849 20 0 GHADRL CC(C)c1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccccc1 ZINC000192154059 882812728 /nfs/dbraw/zinc/81/27/28/882812728.db2.gz VFZWCSCRLUEWDD-UHFFFAOYSA-N -2 0 391.474 3.556 20 0 GHADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(C[C@@H](C)C(=O)[O-])cc3)c2n1 ZINC000541802814 874317900 /nfs/dbraw/zinc/31/79/00/874317900.db2.gz PLYMCILUYCDNJZ-CYBMUJFWSA-N -2 0 384.457 3.607 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(F)c1OC1CCCC1 ZINC001198790500 874611408 /nfs/dbraw/zinc/61/14/08/874611408.db2.gz WOKQXVXJDFWDHZ-UHFFFAOYSA-N -2 0 379.409 3.646 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccc(Cl)cn1 ZINC001198790495 874611772 /nfs/dbraw/zinc/61/17/72/874611772.db2.gz WHOITPZKSAOKSW-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cnn1CCC(C)C ZINC000491583437 875806336 /nfs/dbraw/zinc/80/63/36/875806336.db2.gz JKPDBRIRKUSVTC-UHFFFAOYSA-N -2 0 393.509 3.607 20 0 GHADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000776483466 877093754 /nfs/dbraw/zinc/09/37/54/877093754.db2.gz GBXVHIQXZYFOEY-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000477222065 877249658 /nfs/dbraw/zinc/24/96/58/877249658.db2.gz LZTCJTFSPYVZNB-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000477315329 877414403 /nfs/dbraw/zinc/41/44/03/877414403.db2.gz GEIUOSHCTBDQCP-UHFFFAOYSA-N -2 0 384.457 3.751 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1Cl ZINC000461329345 879585378 /nfs/dbraw/zinc/58/53/78/879585378.db2.gz COTJXZLUKVRVSP-UHFFFAOYSA-N -2 0 385.772 3.919 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1)C(=O)[O-] ZINC000184900609 880411911 /nfs/dbraw/zinc/41/19/11/880411911.db2.gz JFCKGOTYTDXMIX-NSHDSACASA-N -2 0 387.379 3.558 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(SCCC(=O)[O-])c1 ZINC000460463524 881278100 /nfs/dbraw/zinc/27/81/00/881278100.db2.gz ZYPYJSABJFRBBO-UHFFFAOYSA-N -2 0 387.429 3.641 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccc1C(=O)[O-] ZINC000392729454 883916889 /nfs/dbraw/zinc/91/68/89/883916889.db2.gz YDOWKAJVVZOCOC-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)c1 ZINC000013301404 884770771 /nfs/dbraw/zinc/77/07/71/884770771.db2.gz QRSANGNITXOXEE-UHFFFAOYSA-N -2 0 387.529 3.726 20 0 GHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C1CC1 ZINC000808120116 886031713 /nfs/dbraw/zinc/03/17/13/886031713.db2.gz YZMOCLKVEDCQII-UHFFFAOYSA-N -2 0 397.884 3.569 20 0 GHADRL N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000032631453 888453049 /nfs/dbraw/zinc/45/30/49/888453049.db2.gz WDOYMOVKWLQXMK-KRWDZBQOSA-N -2 0 398.465 3.903 20 0 GHADRL COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cn2)cc1 ZINC001184660188 913350257 /nfs/dbraw/zinc/35/02/57/913350257.db2.gz VARHJPJSIYCQTE-UHFFFAOYSA-N -2 0 398.440 3.565 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)(F)F)cc1C(=O)[O-] ZINC001184697531 913365913 /nfs/dbraw/zinc/36/59/13/913365913.db2.gz VKSKJXPIFJHNOU-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL O=C([O-])c1cc(Nc2noc3cc(Br)ccc32)cc(C(=O)[O-])c1 ZINC001176236206 907999037 /nfs/dbraw/zinc/99/90/37/907999037.db2.gz HKBJPISXDSRSRO-UHFFFAOYSA-N -2 0 377.150 3.730 20 0 GHADRL O=C([O-])c1cc(Nc2ccc(OC[C@H]3CCCO3)c(F)c2)cc(C(=O)[O-])c1 ZINC001176241534 908000349 /nfs/dbraw/zinc/00/03/49/908000349.db2.gz KNRQOQSQDJBAPY-OAHLLOKOSA-N -2 0 375.352 3.524 20 0 GHADRL O=C([O-])C1(c2ccc(Nc3ccc4c(O)cc(S(=O)(=O)[O-])cc4c3)cc2)CC1 ZINC001176589379 908169806 /nfs/dbraw/zinc/16/98/06/908169806.db2.gz VULNFFSHNYJXHY-UHFFFAOYSA-N -2 0 399.424 3.652 20 0 GHADRL COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000901825624 921602198 /nfs/dbraw/zinc/60/21/98/921602198.db2.gz PFQISBQLEMJVBR-UHFFFAOYSA-N -2 0 393.461 3.500 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cscc2C(F)F)cccc1C(=O)[O-] ZINC000901919168 921732599 /nfs/dbraw/zinc/73/25/99/921732599.db2.gz NHOKBCYOICXLRO-UHFFFAOYSA-N -2 0 391.417 3.972 20 0 GHADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000647125400 915040636 /nfs/dbraw/zinc/04/06/36/915040636.db2.gz RSIICYPSQIZCJG-UHFFFAOYSA-N -2 0 388.367 3.723 20 0 GHADRL CC1CCN(c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2)CC1 ZINC000096942676 915256875 /nfs/dbraw/zinc/25/68/75/915256875.db2.gz LWQWZDJEDATCNV-UHFFFAOYSA-N -2 0 392.452 3.561 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c2ccsc2n1 ZINC001188282162 915873964 /nfs/dbraw/zinc/87/39/64/915873964.db2.gz JLDZKSYVOGXCPE-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc(Br)cc(F)c1[O-] ZINC001189824421 916947170 /nfs/dbraw/zinc/94/71/70/916947170.db2.gz HBFBCZPMCVMQEJ-UHFFFAOYSA-N -2 0 396.184 3.514 20 0 GHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000013264831 919321063 /nfs/dbraw/zinc/32/10/63/919321063.db2.gz JJGJWEYBZWBHRG-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000726931627 926939473 /nfs/dbraw/zinc/93/94/73/926939473.db2.gz PABYUIZAFNJJSA-UHFFFAOYSA-N -2 0 393.367 3.940 20 0 GHADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000467761176 929380432 /nfs/dbraw/zinc/38/04/32/929380432.db2.gz ZBPUOMJUCYOUER-UHFFFAOYSA-N -2 0 375.855 3.852 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000753781192 929533090 /nfs/dbraw/zinc/53/30/90/929533090.db2.gz WIHJLJQCWUBIPX-UHFFFAOYSA-N -2 0 395.452 3.948 20 0 GHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)cc1 ZINC000546537411 930247642 /nfs/dbraw/zinc/24/76/42/930247642.db2.gz QXZIPHQAHUHRLX-UHFFFAOYSA-N -2 0 381.862 3.983 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780395468 930505805 /nfs/dbraw/zinc/50/58/05/930505805.db2.gz MTBLYJPWJBIPHA-UHFFFAOYSA-N -2 0 385.388 3.912 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c1Cl ZINC000783952990 931729507 /nfs/dbraw/zinc/72/95/07/931729507.db2.gz OCJWKEIBFGDXGG-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cccc(C)c1Cl ZINC000326223282 971275061 /nfs/dbraw/zinc/27/50/61/971275061.db2.gz HOKIRTFMCCIXPD-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(C(=O)[O-])c1 ZINC000392549653 972497207 /nfs/dbraw/zinc/49/72/07/972497207.db2.gz FVFUNVZNVXWGCB-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1F ZINC001259221073 960679095 /nfs/dbraw/zinc/67/90/95/960679095.db2.gz ORUGIJDDHGGHCW-UHFFFAOYSA-N -2 0 391.779 3.516 20 0 GHADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)sc2cccc(F)c12 ZINC001320732204 960984234 /nfs/dbraw/zinc/98/42/34/960984234.db2.gz VFKFKWJNXQWBKA-UHFFFAOYSA-N -2 0 383.397 3.987 20 0 GHADRL CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)ccc2o1 ZINC001590545925 990186552 /nfs/dbraw/zinc/18/65/52/990186552.db2.gz WBQMFIMSMVRRCY-UHFFFAOYSA-N -2 0 380.447 3.686 20 0 GHADRL COc1ccc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])cc1C(=O)[O-] ZINC001599570492 998357267 /nfs/dbraw/zinc/35/72/67/998357267.db2.gz VSFSYOKWEHLWLK-UHFFFAOYSA-N -2 0 385.803 3.836 20 0 GHADRL O=C([O-])c1c(F)ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1F ZINC001215276540 1029126801 /nfs/dbraw/zinc/12/68/01/1029126801.db2.gz NHTUDRBAWKQIDM-UHFFFAOYSA-N -2 0 395.339 3.512 20 0 GHADRL O=C([O-])c1cc(F)c(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c(F)c1 ZINC001215612788 1029305236 /nfs/dbraw/zinc/30/52/36/1029305236.db2.gz CYGCFSIWAYXBNG-UHFFFAOYSA-N -2 0 379.340 3.807 20 0 GHADRL CCc1cc(Br)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000322086682 1031546341 /nfs/dbraw/zinc/54/63/41/1031546341.db2.gz HPPHLQVORFOAAL-UHFFFAOYSA-N -2 0 398.278 3.819 20 0 GHADRL O=S(=O)([N-]c1cccc(F)c1)c1cccnc1-c1cc(F)c([O-])cc1F ZINC001206775745 1033978847 /nfs/dbraw/zinc/97/88/47/1033978847.db2.gz JDPFVBRSHOEDMG-UHFFFAOYSA-N -2 0 380.347 3.672 20 0 GHADRL O=C([O-])c1cc(Cl)c(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)c(Cl)c1 ZINC001244514632 1036526799 /nfs/dbraw/zinc/52/67/99/1036526799.db2.gz IKYBZPWLXFHSKP-UHFFFAOYSA-N -2 0 381.093 3.866 20 0 GHADRL O=C([O-])c1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)cc1 ZINC001236057466 1041515855 /nfs/dbraw/zinc/51/58/55/1041515855.db2.gz YLSHONKHUZERPY-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL CCN(CC)C(=O)c1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1Cl ZINC001236140803 1041565189 /nfs/dbraw/zinc/56/51/89/1041565189.db2.gz XIHXSPADDZSNDV-UHFFFAOYSA-N -2 0 375.808 3.885 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)nc(Cl)c2)c(F)cc1Cl ZINC001259213028 1045014397 /nfs/dbraw/zinc/01/43/97/1045014397.db2.gz GRQNAGXUVGOQHU-UHFFFAOYSA-N -2 0 399.614 3.680 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(Cl)c2O)cc1 ZINC001260228888 1045421153 /nfs/dbraw/zinc/42/11/53/1045421153.db2.gz DRIQSWWWAWXZIO-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)c(C(=O)[O-])c1 ZINC001319879232 1055517687 /nfs/dbraw/zinc/51/76/87/1055517687.db2.gz ATDWRGWCFWAMBD-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1nc(=O)c2sccc2[n-]1 ZINC001319998439 1055588063 /nfs/dbraw/zinc/58/80/63/1055588063.db2.gz RSFRKXZXQIOKBT-UHFFFAOYSA-N -2 0 387.490 3.519 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cnn1-c1cc(C)ccc1C ZINC000436479361 450603382 /nfs/dbraw/zinc/60/33/82/450603382.db2.gz VHCZPAASHLNBKU-UHFFFAOYSA-N -2 0 391.880 3.957 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c(OC)cc1Cl ZINC000575818641 452920912 /nfs/dbraw/zinc/92/09/12/452920912.db2.gz TXKIDPFQAWBLSF-UHFFFAOYSA-N -2 0 378.233 3.517 20 0 GHADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000739874212 599926844 /nfs/dbraw/zinc/92/68/44/599926844.db2.gz OPRCIBGJOGOMSH-UHFFFAOYSA-N -2 0 389.857 3.598 20 0 GHADRL Cc1ccc([C@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])c(C)c1 ZINC000736750428 599992721 /nfs/dbraw/zinc/99/27/21/599992721.db2.gz KSPMISNTQVOLAV-LJQANCHMSA-N -2 0 394.427 3.627 20 0 GHADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])nc21 ZINC000738746144 600054566 /nfs/dbraw/zinc/05/45/66/600054566.db2.gz DRWCNHMLZYZZRY-UHFFFAOYSA-N -2 0 376.459 3.721 20 0 GHADRL CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2C1 ZINC000736975701 600055543 /nfs/dbraw/zinc/05/55/43/600055543.db2.gz VBQXGXZEOZENHZ-JTQLQIEISA-N -2 0 398.481 3.686 20 0 GHADRL 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391.493 3.847 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3cccnc32)c(C)c1CC(=O)[O-] ZINC000181208976 862798582 /nfs/dbraw/zinc/79/85/82/862798582.db2.gz AMXWCOBCWRMEQB-UHFFFAOYSA-N -2 0 384.457 3.588 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1C ZINC000013239956 857110811 /nfs/dbraw/zinc/11/08/11/857110811.db2.gz CNHYNIHPCRACJW-UHFFFAOYSA-N -2 0 389.351 3.701 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c(C)c1 ZINC000486091028 857417429 /nfs/dbraw/zinc/41/74/29/857417429.db2.gz FIFODYIMKZFUAY-UHFFFAOYSA-N -2 0 389.351 3.701 20 0 GHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000486112091 857440935 /nfs/dbraw/zinc/44/09/35/857440935.db2.gz YNZBMDDDJHYLEU-UHFFFAOYSA-N -2 0 393.509 3.860 20 0 GHADRL C[C@H](Oc1cccc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])c1)C(=O)[O-] ZINC000443447756 858690461 /nfs/dbraw/zinc/69/04/61/858690461.db2.gz SLRJZQZCNNJGOO-VNDWYCCKSA-N -2 0 390.395 3.864 20 0 GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000183347433 858724530 /nfs/dbraw/zinc/72/45/30/858724530.db2.gz QCQBCYCERMZBTB-UHFFFAOYSA-N -2 0 386.429 3.766 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(F)c1 ZINC000120324257 881382961 /nfs/dbraw/zinc/38/29/61/881382961.db2.gz MCDHDNFVMYYCIX-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CC(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000327132499 859270121 /nfs/dbraw/zinc/27/01/21/859270121.db2.gz QUIJNXSZVBTNPE-UHFFFAOYSA-N -2 0 383.853 3.874 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2csc3ccccc23)cc1C(=O)[O-] ZINC000484173862 859847354 /nfs/dbraw/zinc/84/73/54/859847354.db2.gz OCXAEFMHPRESGI-UHFFFAOYSA-N -2 0 377.443 3.799 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OCCC(C)C ZINC000606828479 863861661 /nfs/dbraw/zinc/86/16/61/863861661.db2.gz TWEYCTYLTLAIFM-UHFFFAOYSA-N -2 0 383.491 3.980 20 0 GHADRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c(F)c1 ZINC000184534309 864649956 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390.392 3.597 20 0 GHADRL CC(C)CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000745979866 869925074 /nfs/dbraw/zinc/92/50/74/869925074.db2.gz MXUYYHPBNHXVQW-UHFFFAOYSA-N -2 0 381.425 3.750 20 0 GHADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000446626280 870145134 /nfs/dbraw/zinc/14/51/34/870145134.db2.gz BUWBCSJASKVSCZ-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL COc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001192429923 870359946 /nfs/dbraw/zinc/35/99/46/870359946.db2.gz ZARHQDBIBDSWMN-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(F)F)c(Cl)cc1F ZINC001194001280 871456289 /nfs/dbraw/zinc/45/62/89/871456289.db2.gz AFIXUZAWBKDNAW-UHFFFAOYSA-N -2 0 379.743 3.916 20 0 GHADRL O=S(=O)([N-]c1ccc2[n-]c(=S)sc2c1)c1ncccc1C(F)(F)F ZINC001194568402 871798925 /nfs/dbraw/zinc/79/89/25/871798925.db2.gz FAVRZCJLYVWOCO-UHFFFAOYSA-N -2 0 391.421 3.800 20 0 GHADRL CCCc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc2o1 ZINC001195234471 872242389 /nfs/dbraw/zinc/24/23/89/872242389.db2.gz LGBNVATVACSALZ-UHFFFAOYSA-N -2 0 396.371 3.558 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c(F)cc1F ZINC001195194659 872247448 /nfs/dbraw/zinc/24/74/48/872247448.db2.gz KISFYDPFKPNKES-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc3occc3c2)c1 ZINC001196047339 872854571 /nfs/dbraw/zinc/85/45/71/872854571.db2.gz PCFAFGTYVNNTMP-UHFFFAOYSA-N -2 0 396.218 3.694 20 0 GHADRL CCOc1ccncc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196068649 872859448 /nfs/dbraw/zinc/85/94/48/872859448.db2.gz WLEBTRJIACMOPY-UHFFFAOYSA-N -2 0 398.440 3.646 20 0 GHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782483 874606401 /nfs/dbraw/zinc/60/64/01/874606401.db2.gz JZOHIIDCCSWGOZ-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1SC(F)(F)F ZINC001198779780 874630012 /nfs/dbraw/zinc/63/00/12/874630012.db2.gz VLOLBIJIAHIGMM-UHFFFAOYSA-N -2 0 377.365 3.798 20 0 GHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000134618113 882957057 /nfs/dbraw/zinc/95/70/57/882957057.db2.gz GNNBOKIBVLWWKO-UHFFFAOYSA-N -2 0 398.278 3.657 20 0 GHADRL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc2C)n1 ZINC000477456851 877658229 /nfs/dbraw/zinc/65/82/29/877658229.db2.gz CLKZEBUZLDLWIV-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2Cl)cc1 ZINC000551113371 883301737 /nfs/dbraw/zinc/30/17/37/883301737.db2.gz VREOPEVBTZKCMZ-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OC1CCCC1 ZINC000032098596 884246919 /nfs/dbraw/zinc/24/69/19/884246919.db2.gz BNXWPLYZDCTBCU-UHFFFAOYSA-N -2 0 397.474 3.577 20 0 GHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000327994288 884265831 /nfs/dbraw/zinc/26/58/31/884265831.db2.gz DJBWBJNQNOBPKP-UHFFFAOYSA-N -2 0 387.816 3.767 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1)C(=O)[O-] ZINC000556346394 884547402 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393.314 3.532 20 0 GHADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000537156197 894431981 /nfs/dbraw/zinc/43/19/81/894431981.db2.gz ZITXRVIANARLBZ-UHFFFAOYSA-N -2 0 386.882 3.501 20 0 GHADRL O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000821106089 897748168 /nfs/dbraw/zinc/74/81/68/897748168.db2.gz CDQTZRCBPVUEMR-UHFFFAOYSA-N -2 0 378.409 3.887 20 0 GHADRL O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000821106637 897748251 /nfs/dbraw/zinc/74/82/51/897748251.db2.gz KXVRYPBXQCFRKF-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL COc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186190301 914352085 /nfs/dbraw/zinc/35/20/85/914352085.db2.gz KXMWRCPGYQAXEI-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1OCC ZINC000047214959 901612108 /nfs/dbraw/zinc/61/21/08/901612108.db2.gz CCTKOIZAIRFRIN-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL COc1ccc(-c2ccccc2NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cc1 ZINC001148926605 904261827 /nfs/dbraw/zinc/26/18/27/904261827.db2.gz QXKBAOFJQOCJPH-UHFFFAOYSA-N -2 0 399.424 3.567 20 0 GHADRL Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1I ZINC001176244690 908003501 /nfs/dbraw/zinc/00/35/01/908003501.db2.gz NBFOAJPTSQQNMU-UHFFFAOYSA-N -2 0 397.168 3.740 20 0 GHADRL O=C([O-])c1cc(Nc2ccccc2S(=O)(=O)C2CCCC2)cc(C(=O)[O-])c1 ZINC001176245147 908004839 /nfs/dbraw/zinc/00/48/39/908004839.db2.gz VCODKQAPAUBOAH-UHFFFAOYSA-N -2 0 389.429 3.543 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc2scnc21 ZINC001187588917 915352634 /nfs/dbraw/zinc/35/26/34/915352634.db2.gz CDOORMSYQGMGBT-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2c(O)cccc2C(F)(F)F)c1 ZINC001187581491 915375517 /nfs/dbraw/zinc/37/55/17/915375517.db2.gz IUXDJNULUSQHOQ-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL O=C(c1ccccc1OP(=O)([O-])[O-])N(Cc1ccccn1)C1CCCCC1 ZINC001189886462 916991914 /nfs/dbraw/zinc/99/19/14/916991914.db2.gz GLSSHAQPSKTEAS-UHFFFAOYSA-N -2 0 390.376 3.528 20 0 GHADRL Cc1[n-]n(-c2cccc(-c3ccc(N=S(C)(C)=O)cc3)c2)c(=O)c1CC(=O)[O-] ZINC000901078590 920825990 /nfs/dbraw/zinc/82/59/90/920825990.db2.gz CDAVIMOTOOCXSR-SFHVURJKSA-N -2 0 399.472 3.526 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1F ZINC000410395279 925601161 /nfs/dbraw/zinc/60/11/61/925601161.db2.gz AZKYUCZHWOCMFG-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)c1 ZINC000410402990 925612696 /nfs/dbraw/zinc/61/26/96/925612696.db2.gz QVHKLNNTJINKQR-UHFFFAOYSA-N -2 0 380.441 3.844 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cccc3cccnc32)cccc1C(=O)[O-] ZINC000410400065 925615725 /nfs/dbraw/zinc/61/57/25/925615725.db2.gz GULNERDJGDSOAO-UHFFFAOYSA-N -2 0 386.429 3.521 20 0 GHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000544093145 928797295 /nfs/dbraw/zinc/79/72/95/928797295.db2.gz DSSQBSKIMPDHCM-LLVKDONJSA-N -2 0 383.853 3.728 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)nn1[C@@H](C)C1CC1 ZINC000544097062 928802822 /nfs/dbraw/zinc/80/28/22/928802822.db2.gz SYHZVFJJJXTNMH-NSHDSACASA-N -2 0 397.884 3.623 20 0 GHADRL Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3F)c2)n1 ZINC000758453967 930050698 /nfs/dbraw/zinc/05/06/98/930050698.db2.gz UJOFTZXQOUKPDF-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)ccc2s1 ZINC000781117126 930705565 /nfs/dbraw/zinc/70/55/65/930705565.db2.gz MUEHHFHEATXUPO-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000324899240 971168030 /nfs/dbraw/zinc/16/80/30/971168030.db2.gz POMMXINRDWZLKO-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c2cccnc12 ZINC000326769786 971325955 /nfs/dbraw/zinc/32/59/55/971325955.db2.gz MHQLLRXDFPHOBP-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)cc1 ZINC000392197536 972425334 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GHADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C)c1Br ZINC001597579280 988378973 /nfs/dbraw/zinc/37/89/73/988378973.db2.gz VETGDJZDLZRFHR-UHFFFAOYSA-N -2 0 398.278 3.819 20 0 GHADRL CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1-c1cccs1 ZINC001597645005 988659754 /nfs/dbraw/zinc/65/97/54/988659754.db2.gz LYGCQXGDZMCSJQ-UHFFFAOYSA-N -2 0 391.474 3.508 20 0 GHADRL CC1=C(C(=O)[O-])[C@H](c2ccsc2Cl)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC001594099196 998094755 /nfs/dbraw/zinc/09/47/55/998094755.db2.gz ZWCHBKOTQBZDCA-ZDUSSCGKSA-N -2 0 392.820 3.729 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1F ZINC000749142981 1021757119 /nfs/dbraw/zinc/75/71/19/1021757119.db2.gz UNBSYYQCTWPWOD-UHFFFAOYSA-N -2 0 392.452 3.623 20 0 GHADRL O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC001141388456 1024836635 /nfs/dbraw/zinc/83/66/35/1024836635.db2.gz CVCJOXPOIFYYGA-UHFFFAOYSA-N -2 0 392.184 3.642 20 0 GHADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3cc4ccoc4c(Cl)c3)no2)c1 ZINC001215454166 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3.940 20 0 GHADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485275421 856287812 /nfs/dbraw/zinc/28/78/12/856287812.db2.gz SEIHFVPCNZNUGG-UHFFFAOYSA-N -2 0 383.853 3.718 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1C1CC1 ZINC000536496859 856466802 /nfs/dbraw/zinc/46/68/02/856466802.db2.gz IFXHNWZIPLLKOG-VIFPVBQESA-N -2 0 383.495 3.600 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000007230419 857220407 /nfs/dbraw/zinc/22/04/07/857220407.db2.gz RVPMCLWYPDDXRY-UHFFFAOYSA-N -2 0 377.365 3.639 20 0 GHADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1C ZINC000486099929 857426332 /nfs/dbraw/zinc/42/63/32/857426332.db2.gz YXMBSQOHDSLUEU-UHFFFAOYSA-N -2 0 389.351 3.701 20 0 GHADRL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486111485 857439138 /nfs/dbraw/zinc/43/91/38/857439138.db2.gz WEHMSQPGAMCVBN-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1cc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Cl ZINC000443463411 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3.776 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c(Cl)c1 ZINC000327693900 860572990 /nfs/dbraw/zinc/57/29/90/860572990.db2.gz AFWIYVGBHFLLPD-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000281886195 863461563 /nfs/dbraw/zinc/46/15/63/863461563.db2.gz OJYNMMAJXSYMFD-UHFFFAOYSA-N -2 0 377.462 3.520 20 0 GHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000480194928 864220773 /nfs/dbraw/zinc/22/07/73/864220773.db2.gz UKDKBXWGKHFNLW-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cnn1C(CC)CC ZINC000480202915 864256573 /nfs/dbraw/zinc/25/65/73/864256573.db2.gz XZCLUCXCDDVJOV-UHFFFAOYSA-N -2 0 379.482 3.614 20 0 GHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000480221752 864289140 /nfs/dbraw/zinc/28/91/40/864289140.db2.gz AANPGTSOQCZDNG-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)c(Cl)c1 ZINC000480233419 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KKCDEEVWDLOOJZ-UHFFFAOYSA-N -2 0 398.362 3.696 20 0 GHADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000446645475 870138015 /nfs/dbraw/zinc/13/80/15/870138015.db2.gz TVABBCUODHFHTL-UHFFFAOYSA-N -2 0 381.475 3.533 20 0 GHADRL Cc1c(O)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192430355 870359920 /nfs/dbraw/zinc/35/99/20/870359920.db2.gz NIHJTWDQSAFSRX-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(C3CC3)c2)c(Cl)cc1Cl ZINC001192406814 870378739 /nfs/dbraw/zinc/37/87/39/870378739.db2.gz FWCBTAAFZBWUST-UHFFFAOYSA-N -2 0 387.244 3.765 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc(F)cnc32)c(Cl)cc1F ZINC001194016766 871434990 /nfs/dbraw/zinc/43/49/90/871434990.db2.gz JIKGMZNINJTLIJ-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000181756415 871462146 /nfs/dbraw/zinc/46/21/46/871462146.db2.gz XMKDWHGFIQRHQX-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000462105304 871601643 /nfs/dbraw/zinc/60/16/43/871601643.db2.gz VBGPFCAPPVOKLG-UHFFFAOYSA-N -2 0 387.816 3.685 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2)c(F)cc1F ZINC001195234928 872242216 /nfs/dbraw/zinc/24/22/16/872242216.db2.gz TVBNSEOJRDAIOC-UHFFFAOYSA-N -2 0 379.340 3.724 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C)cc1Cl ZINC001195224719 872267700 /nfs/dbraw/zinc/26/77/00/872267700.db2.gz CNJONLRLGXFAQF-UHFFFAOYSA-N -2 0 375.780 3.734 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1C(F)(F)F ZINC000447778297 872267650 /nfs/dbraw/zinc/26/76/50/872267650.db2.gz IPDLXAYMYJTWRS-UHFFFAOYSA-N -2 0 395.380 3.583 20 0 GHADRL O=C(Nc1ccc(F)c(Br)c1[O-])c1c([O-])c(F)c(F)c(F)c1F ZINC001195303300 872323951 /nfs/dbraw/zinc/32/39/51/872323951.db2.gz UYMMCSUVCBCHOC-UHFFFAOYSA-N -2 0 398.081 3.808 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463799813 872649031 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CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000729666504 888294283 /nfs/dbraw/zinc/29/42/83/888294283.db2.gz SZCQWIAIGQOCIZ-UHFFFAOYSA-N -2 0 398.462 3.594 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)cc(C(=O)[O-])c1F ZINC000763279014 888431905 /nfs/dbraw/zinc/43/19/05/888431905.db2.gz GHJPYRHXPCHNGG-UHFFFAOYSA-N -2 0 389.351 3.543 20 0 GHADRL N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000032631454 888452927 /nfs/dbraw/zinc/45/29/27/888452927.db2.gz WDOYMOVKWLQXMK-QGZVFWFLSA-N -2 0 398.465 3.903 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cnc3c(Cl)cccc3c2)cc1C(=O)[O-] ZINC001184668689 913356714 /nfs/dbraw/zinc/35/67/14/913356714.db2.gz XURCZFCIQNALAK-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(C)cc3)nc2)cc1C(=O)[O-] ZINC001185268812 913768741 /nfs/dbraw/zinc/76/87/41/913768741.db2.gz AKUFJYVYALEVNK-UHFFFAOYSA-N -2 0 398.440 3.565 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cc(Cl)n1 ZINC001185876338 914132754 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3.755 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001187579379 915373362 /nfs/dbraw/zinc/37/33/62/915373362.db2.gz YWPGEDDVWLJYPY-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc3ccccc3cc2O)c1 ZINC001187582677 915376897 /nfs/dbraw/zinc/37/68/97/915376897.db2.gz XCNAYLAHTFQRIS-UHFFFAOYSA-N -2 0 377.805 3.698 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cncc(F)c32)ccc1Cl ZINC001188313907 915880769 /nfs/dbraw/zinc/88/07/69/915880769.db2.gz FHSHNTLFOHEELX-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189886918 916991510 /nfs/dbraw/zinc/99/15/10/916991510.db2.gz JVTOAPGSXPCIOB-KDOFPFPSSA-N -2 0 385.397 3.562 20 0 GHADRL O=C([O-])c1ccccc1C1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000653556507 918306327 /nfs/dbraw/zinc/30/63/27/918306327.db2.gz OWWLLLGEXKWTCB-UHFFFAOYSA-N -2 0 379.334 3.528 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3cc(Cl)cnc32)cc1 ZINC001192140822 918474906 /nfs/dbraw/zinc/47/49/06/918474906.db2.gz JQBCNFXDZOBHMQ-UHFFFAOYSA-N -2 0 390.848 3.706 20 0 GHADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000392290741 926406470 /nfs/dbraw/zinc/40/64/70/926406470.db2.gz KJAOTLMJMXCYLK-UHFFFAOYSA-N -2 0 383.853 3.936 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OC(C)C)c(C)c1CC(=O)[O-] ZINC000543865875 928512626 /nfs/dbraw/zinc/51/26/26/928512626.db2.gz QPRZTXIYBIRLAB-UHFFFAOYSA-N -2 0 391.489 3.827 20 0 GHADRL Cc1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3Cl)ccc2[nH]1 ZINC000753769619 929527286 /nfs/dbraw/zinc/52/72/86/929527286.db2.gz IBIYPPSKPHHGTN-UHFFFAOYSA-N -2 0 378.837 3.937 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc(Cl)c1Cl ZINC000753961685 929613516 /nfs/dbraw/zinc/61/35/16/929613516.db2.gz KMEAFACYHHHQTR-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1OC(F)F ZINC000546538012 930248613 /nfs/dbraw/zinc/24/86/13/930248613.db2.gz 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387.816 3.685 20 0 GHADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000828869990 601843856 /nfs/dbraw/zinc/84/38/56/601843856.db2.gz IQSHKLPJVNZTTC-UHFFFAOYSA-N -2 0 389.886 3.594 20 0 GHADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000833295263 601848178 /nfs/dbraw/zinc/84/81/78/601848178.db2.gz TZJGLKCVVPTLGS-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000833343665 602116278 /nfs/dbraw/zinc/11/62/78/602116278.db2.gz LRASRCWJGPRDSY-UHFFFAOYSA-N -2 0 383.394 3.859 20 0 GHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000830049491 602309198 /nfs/dbraw/zinc/30/91/98/602309198.db2.gz DLPIPJBDPZWAAU-YHYXMXQVSA-N -2 0 381.837 3.637 20 0 GHADRL CC1=C(C(=O)[O-])[C@H](c2coc3ccccc32)NC(=O)N1CCCCCC(=O)[O-] ZINC000833575757 604874883 /nfs/dbraw/zinc/87/48/83/604874883.db2.gz COMXPXNKYLIXQU-SFHVURJKSA-N -2 0 386.404 3.503 20 0 GHADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438775768 604989969 /nfs/dbraw/zinc/98/99/69/604989969.db2.gz YCSFUTXTQOQZLP-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)c(F)c1 ZINC000471970157 844173651 /nfs/dbraw/zinc/17/36/51/844173651.db2.gz MRYABNIMERKQLJ-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3F)cc2)o1 ZINC000177542515 837976112 /nfs/dbraw/zinc/97/61/12/837976112.db2.gz GNNWGCILEWBDKS-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2)cc(Br)c1Cl ZINC000181228024 838580395 /nfs/dbraw/zinc/58/03/95/838580395.db2.gz VFOWYRBINOGJOR-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c1 ZINC000487346566 840943286 /nfs/dbraw/zinc/94/32/86/840943286.db2.gz QUXGEZXRICHKRA-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000548198844 842109334 /nfs/dbraw/zinc/10/93/34/842109334.db2.gz ZYUNMIGUMIKFPO-UHFFFAOYSA-N -2 0 390.244 3.642 20 0 GHADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000548198847 842109964 /nfs/dbraw/zinc/10/99/64/842109964.db2.gz CCZVFPYDAQVOAM-UHFFFAOYSA-N -2 0 377.393 3.996 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000505124894 850647265 /nfs/dbraw/zinc/64/72/65/850647265.db2.gz PLZNCMTVLFQEMR-UHFFFAOYSA-N -2 0 382.246 3.563 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c(F)c1 ZINC000438803900 852863771 /nfs/dbraw/zinc/86/37/71/852863771.db2.gz HILOBJYXRYOPKD-UHFFFAOYSA-N -2 0 379.409 3.646 20 0 GHADRL COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000509573708 852980253 /nfs/dbraw/zinc/98/02/53/852980253.db2.gz XYJZZMVBFQLZPH-UHFFFAOYSA-N -2 0 396.273 3.871 20 0 GHADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c1 ZINC000441387844 854168815 /nfs/dbraw/zinc/16/88/15/854168815.db2.gz WKMWKYBZJVEKPJ-UHFFFAOYSA-N -2 0 393.461 3.545 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000589437391 854876626 /nfs/dbraw/zinc/87/66/26/854876626.db2.gz KIKYSCHLUZLIHN-UHFFFAOYSA-N -2 0 381.425 3.674 20 0 GHADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)cc2)o1 ZINC000178954109 855503930 /nfs/dbraw/zinc/50/39/30/855503930.db2.gz ZHCFRVMJWMBVJG-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)cc2)oc1C ZINC000591681583 856214881 /nfs/dbraw/zinc/21/48/81/856214881.db2.gz XGZQRYWJLQZPMW-UHFFFAOYSA-N -2 0 392.458 3.827 20 0 GHADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000675609919 857531934 /nfs/dbraw/zinc/53/19/34/857531934.db2.gz LUKVHLOBKWOMCD-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL CCCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC000327345380 859818187 /nfs/dbraw/zinc/81/81/87/859818187.db2.gz CIXZYLFLEAYEDV-UHFFFAOYSA-N -2 0 383.853 3.936 20 0 GHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000484542000 860102579 /nfs/dbraw/zinc/10/25/79/860102579.db2.gz HCUIYEAZPXPCTL-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000484952462 860521843 /nfs/dbraw/zinc/52/18/43/860521843.db2.gz ATOWVOCREXSBGP-UHFFFAOYSA-N -2 0 392.458 3.584 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)sc1C(=O)[O-] ZINC000324351527 863134245 /nfs/dbraw/zinc/13/42/45/863134245.db2.gz FTCJKOWMWLMXBQ-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cnn1C(CC)CC ZINC000480242249 864331911 /nfs/dbraw/zinc/33/19/11/864331911.db2.gz ALAVYXMDBSIHAN-UHFFFAOYSA-N -2 0 393.509 3.922 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2OCC(F)F)cs1 ZINC000554690082 864747028 /nfs/dbraw/zinc/74/70/28/864747028.db2.gz RYXKUOWPRKBXPG-UHFFFAOYSA-N -2 0 397.808 3.544 20 0 GHADRL CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1C(=O)[O-] ZINC000152930227 866863922 /nfs/dbraw/zinc/86/39/22/866863922.db2.gz DUGAWGXGROBPCD-UHFFFAOYSA-N -2 0 398.278 3.819 20 0 GHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000479388741 867686874 /nfs/dbraw/zinc/68/68/74/867686874.db2.gz KDCOYWAWHJMEMI-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000743261990 868030823 /nfs/dbraw/zinc/03/08/23/868030823.db2.gz ZJYYRGBMUOPSSC-MDZDMXLPSA-N -2 0 399.827 3.989 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCC3)c(Cl)cc1Cl ZINC001192398137 870368160 /nfs/dbraw/zinc/36/81/60/870368160.db2.gz HILZNYNCEKZCRE-UHFFFAOYSA-N -2 0 386.256 3.981 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c(Cl)cc1Cl ZINC001192407983 870378194 /nfs/dbraw/zinc/37/81/94/870378194.db2.gz UMDYJGQARHAUOC-UHFFFAOYSA-N -2 0 387.244 3.765 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)no2)cc1C(=O)[O-] ZINC001192608578 870540603 /nfs/dbraw/zinc/54/06/03/870540603.db2.gz PPRVWANNHIRCFZ-UHFFFAOYSA-N -2 0 394.449 3.620 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(Cl)cc1F ZINC001193964226 871406590 /nfs/dbraw/zinc/40/65/90/871406590.db2.gz BTTXOPBMWDTORV-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cs1 ZINC000525866431 871563452 /nfs/dbraw/zinc/56/34/52/871563452.db2.gz JKFWTTSEUXOXQA-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3ccncc3)c2)c(F)cc1F ZINC001195235015 872243113 /nfs/dbraw/zinc/24/31/13/872243113.db2.gz WKAQUJOMEXEZOX-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000541075207 872862707 /nfs/dbraw/zinc/86/27/07/872862707.db2.gz NFZAISIRVYONEM-UHFFFAOYSA-N -2 0 390.442 3.563 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)sc1Br ZINC000149487852 882785656 /nfs/dbraw/zinc/78/56/56/882785656.db2.gz MUISIPDWLGULJE-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000542054617 874864914 /nfs/dbraw/zinc/86/49/14/874864914.db2.gz PBOMGXHPLDEPPR-UHFFFAOYSA-N -2 0 389.376 3.543 20 0 GHADRL COc1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCCC(=O)[O-] ZINC000542345564 875413943 /nfs/dbraw/zinc/41/39/43/875413943.db2.gz GFLHTJUIPYWDNW-VURMDHGXSA-N -2 0 393.395 3.966 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(SCCC(=O)[O-])c1 ZINC000460459394 886786318 /nfs/dbraw/zinc/78/63/18/886786318.db2.gz MUEUOKHOPFUWAE-UHFFFAOYSA-N -2 0 387.429 3.641 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000525156776 887316248 /nfs/dbraw/zinc/31/62/48/887316248.db2.gz BJKGTVQRAAGBRA-UHFFFAOYSA-N -2 0 379.381 3.660 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(C(=O)[O-])c1 ZINC000316770819 887357339 /nfs/dbraw/zinc/35/73/39/887357339.db2.gz WZVWOTKRJSXHPR-UHFFFAOYSA-N -2 0 382.246 3.563 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(F)(F)F)cc1C(=O)[O-] ZINC001184697236 913363763 /nfs/dbraw/zinc/36/37/63/913363763.db2.gz OEFAUGZUWKFSBM-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C(F)(F)F ZINC001184696748 913364389 /nfs/dbraw/zinc/36/43/89/913364389.db2.gz IYDMJAGEEJEXJD-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)nn1C1CCCCC1 ZINC000811717947 889916529 /nfs/dbraw/zinc/91/65/29/889916529.db2.gz CQXGLLWXWOKPRJ-UHFFFAOYSA-N -2 0 395.456 3.643 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCC2)nn1C(C)(C)C ZINC001185871293 914132704 /nfs/dbraw/zinc/13/27/04/914132704.db2.gz OZZQKIUDVZFACU-UHFFFAOYSA-N -2 0 391.493 3.713 20 0 GHADRL CC(C)(C)COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186193653 914353322 /nfs/dbraw/zinc/35/33/22/914353322.db2.gz URSIYNJNQJGJEQ-UHFFFAOYSA-N -2 0 399.415 3.889 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)c(C)c1C(=O)[O-] ZINC000578160557 903573771 /nfs/dbraw/zinc/57/37/71/903573771.db2.gz NGEKOBNBSHMQBV-UHFFFAOYSA-N -2 0 391.493 3.532 20 0 GHADRL COC(=O)c1ccc(C(F)(F)F)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176243756 908002283 /nfs/dbraw/zinc/00/22/83/908002283.db2.gz DBGYNTVJYQJLET-UHFFFAOYSA-N -2 0 383.278 3.632 20 0 GHADRL CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccn3)ccc21 ZINC000634785219 908824022 /nfs/dbraw/zinc/82/40/22/908824022.db2.gz YOIXFOCUJCFHHJ-UHFFFAOYSA-N -2 0 395.440 3.708 20 0 GHADRL C[C@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])c1ccccc1C(F)(F)F ZINC001189898763 916996135 /nfs/dbraw/zinc/99/61/35/916996135.db2.gz HEETVCGBFVZVFR-JTQLQIEISA-N -2 0 389.266 3.668 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2OC)ccc1[S-] ZINC001190266181 917219963 /nfs/dbraw/zinc/21/99/63/917219963.db2.gz ASFVLBCAKTWBIL-UHFFFAOYSA-N -2 0 393.408 3.812 20 0 GHADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1C ZINC000013264824 919320239 /nfs/dbraw/zinc/32/02/39/919320239.db2.gz FQNSXJNQPKKSBX-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c(Cl)cc1C(=O)[O-] ZINC000678479189 924792361 /nfs/dbraw/zinc/79/23/61/924792361.db2.gz PHQYKKBSIVBTHA-UHFFFAOYSA-N -2 0 381.837 3.725 20 0 GHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC000410031946 925258167 /nfs/dbraw/zinc/25/81/67/925258167.db2.gz YVYVYZPUSZMJQO-UHFFFAOYSA-N -2 0 389.473 3.563 20 0 GHADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000410400303 925615536 /nfs/dbraw/zinc/61/55/36/925615536.db2.gz YTJOGYPERQNZAP-UHFFFAOYSA-N -2 0 393.461 3.760 20 0 GHADRL COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1C ZINC000410400049 925615783 /nfs/dbraw/zinc/61/57/83/925615783.db2.gz YCWLCCHHXJMXNT-UHFFFAOYSA-N -2 0 393.461 3.598 20 0 GHADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c1O ZINC000759103005 930274737 /nfs/dbraw/zinc/27/47/37/930274737.db2.gz QQWHYTJRELIOMJ-UHFFFAOYSA-N -2 0 390.244 3.815 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)cc(C(=O)[O-])c1F ZINC000799930688 933174226 /nfs/dbraw/zinc/17/42/26/933174226.db2.gz YZKRYILLJCVGHF-UHFFFAOYSA-N -2 0 381.425 3.636 20 0 GHADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000392293592 972465154 /nfs/dbraw/zinc/46/51/54/972465154.db2.gz OEPSLDGMWDZKPF-UHFFFAOYSA-N -2 0 383.853 3.718 20 0 GHADRL 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GHADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000685902352 836940095 /nfs/dbraw/zinc/94/00/95/836940095.db2.gz OMHVRCYQQXPJGA-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000547877784 837341572 /nfs/dbraw/zinc/34/15/72/837341572.db2.gz QWFZSTNEADYVAE-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)c(SCCC(=O)[O-])c1 ZINC000547880100 837345176 /nfs/dbraw/zinc/34/51/76/837345176.db2.gz UEWPQRMJUZRKCP-UHFFFAOYSA-N -2 0 383.466 3.810 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)sc1Cl ZINC000473449698 844472816 /nfs/dbraw/zinc/47/28/16/844472816.db2.gz QSIJDDNVLSVOOS-UHFFFAOYSA-N -2 0 389.882 3.996 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c(O)c1 ZINC000390249188 841109795 /nfs/dbraw/zinc/10/97/95/841109795.db2.gz DTBIQLSJSGJICX-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)sc1Br ZINC000149460200 841564844 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CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489730208 852555884 /nfs/dbraw/zinc/55/58/84/852555884.db2.gz WUDXGYLWUYTAOQ-UHFFFAOYSA-N -2 0 397.424 3.512 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1C(F)(F)F ZINC000438756481 852808491 /nfs/dbraw/zinc/80/84/91/852808491.db2.gz VFHQOTQUYHFXEX-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)c(F)c1 ZINC000438789222 852855070 /nfs/dbraw/zinc/85/50/70/852855070.db2.gz AQIGTKMGTMLQCH-UHFFFAOYSA-N -2 0 379.409 3.646 20 0 GHADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000324143614 862403570 /nfs/dbraw/zinc/40/35/70/862403570.db2.gz NAALIPSPFLDILM-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)cc1C(=O)[O-] ZINC000440818208 853639407 /nfs/dbraw/zinc/63/94/07/853639407.db2.gz GNHXKDLXRGXXBE-UHFFFAOYSA-N -2 0 381.425 3.674 20 0 GHADRL CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cc(F)c([O-])c(F)c2)C1 ZINC000674236600 856034135 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GHADRL CSc1ccc(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1 ZINC000522395787 859325648 /nfs/dbraw/zinc/32/56/48/859325648.db2.gz VOSXEGRDSOEIPL-UHFFFAOYSA-N -2 0 395.502 3.761 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c(Cl)c1 ZINC000484541768 860100039 /nfs/dbraw/zinc/10/00/39/860100039.db2.gz LITXLVATXFPVKN-UHFFFAOYSA-N -2 0 377.805 3.698 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000015243994 860113897 /nfs/dbraw/zinc/11/38/97/860113897.db2.gz WKRZHZZPNDVDOT-UHFFFAOYSA-N -2 0 383.781 3.502 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c(C)c1C(=O)[O-] ZINC000671663418 860595922 /nfs/dbraw/zinc/59/59/22/860595922.db2.gz JENLQTHPSGQICE-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C(C)C ZINC000480199119 864233986 /nfs/dbraw/zinc/23/39/86/864233986.db2.gz KBIJLSVOPCAMQY-UHFFFAOYSA-N -2 0 393.509 3.625 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)c1 ZINC000480242988 864307347 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20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc2ccccc21 ZINC001195239235 872306644 /nfs/dbraw/zinc/30/66/44/872306644.db2.gz WOOZOPGIURMRLL-UHFFFAOYSA-N -2 0 393.367 3.626 20 0 GHADRL CCc1ncsc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196076432 872865939 /nfs/dbraw/zinc/86/59/39/872865939.db2.gz UIUGDFSQRNWEPR-UHFFFAOYSA-N -2 0 388.470 3.872 20 0 GHADRL O=S(=O)([N-]c1cc(Cl)ccc1[S-])c1ccc(Br)cn1 ZINC001196155688 872917054 /nfs/dbraw/zinc/91/70/54/872917054.db2.gz QYTZZFPGMUMDPM-UHFFFAOYSA-N -2 0 379.688 3.587 20 0 GHADRL O=S(=O)([O-])c1ccc(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)cc1 ZINC001196436113 873086425 /nfs/dbraw/zinc/08/64/25/873086425.db2.gz XODQWTSJTOQYDP-UHFFFAOYSA-N -2 0 397.861 3.541 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1 ZINC000768283780 873206567 /nfs/dbraw/zinc/20/65/67/873206567.db2.gz UJLMLRZQGYLYDJ-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL CC(C)(C)COc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198789451 874610169 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GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1C1CC1 ZINC000762476077 886264815 /nfs/dbraw/zinc/26/48/15/886264815.db2.gz MDYYHRGGNCQGOC-LLVKDONJSA-N -2 0 395.456 3.678 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c(C)c1C(=O)[O-] ZINC000532845701 889069863 /nfs/dbraw/zinc/06/98/63/889069863.db2.gz PZIDSVXRYGTSAT-UHFFFAOYSA-N -2 0 382.441 3.864 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1C(F)(F)F ZINC000533164563 889925291 /nfs/dbraw/zinc/92/52/91/889925291.db2.gz AWUKJKIJVMSDSW-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000126452073 890542431 /nfs/dbraw/zinc/54/24/31/890542431.db2.gz ARAHKIUEQWEGFL-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc2cccnc21 ZINC000821107297 897749982 /nfs/dbraw/zinc/74/99/82/897749982.db2.gz WQXBXPILDIVTJT-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cs1 ZINC000570327632 899265134 /nfs/dbraw/zinc/26/51/34/899265134.db2.gz MTKHWJNDVNFXNL-UHFFFAOYSA-N -2 0 388.470 3.546 20 0 GHADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000825448616 900170133 /nfs/dbraw/zinc/17/01/33/900170133.db2.gz FSDLIBVKYIQOPV-MRVPVSSYSA-N -2 0 390.248 3.518 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)cnn1C(CC)CC ZINC000576636621 902148119 /nfs/dbraw/zinc/14/81/19/902148119.db2.gz JZWNQPNHKGYOMV-UHFFFAOYSA-N -2 0 397.472 3.753 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(Cl)c1 ZINC000578394481 903800225 /nfs/dbraw/zinc/80/02/25/903800225.db2.gz UCRGZMJABDWWGF-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C(Nc1ccc(C2CC2)c2ccccc12)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926413 904260478 /nfs/dbraw/zinc/26/04/78/904260478.db2.gz MYHJKPYQRPVSMH-UHFFFAOYSA-N -2 0 383.425 3.922 20 0 GHADRL O=S(=O)(CCc1cccs1)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC000579048534 904314707 /nfs/dbraw/zinc/31/47/07/904314707.db2.gz SDNGGSDNNAQSPU-UHFFFAOYSA-N -2 0 396.715 3.854 20 0 GHADRL CC(F)(F)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000188563241 904941638 /nfs/dbraw/zinc/94/16/38/904941638.db2.gz GHNOHRYKZDVOHR-UHFFFAOYSA-N -2 0 377.315 3.576 20 0 GHADRL O=C([O-])N1CCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000740730271 909195221 /nfs/dbraw/zinc/19/52/21/909195221.db2.gz UWMGHTORMFETBM-ZDUSSCGKSA-N -2 0 387.263 3.694 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)ccc3ccccc32)ccc1Cl ZINC001188312712 915879217 /nfs/dbraw/zinc/87/92/17/915879217.db2.gz WPHYMRIKIZLMOM-UHFFFAOYSA-N -2 0 377.805 3.698 20 0 GHADRL CCCC[C@H](CC)COCCCNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899485 916996451 /nfs/dbraw/zinc/99/64/51/916996451.db2.gz CKXTYZMIKYDRIA-HNNXBMFYSA-N -2 0 387.413 3.511 20 0 GHADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc2ccccc2c(C(=O)[O-])c1 ZINC000800839198 920514587 /nfs/dbraw/zinc/51/45/87/920514587.db2.gz ZBGXOMIASORAIE-UHFFFAOYSA-N -2 0 385.441 3.964 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1F ZINC000749145650 924048076 /nfs/dbraw/zinc/04/80/76/924048076.db2.gz LJCLALYZOKVKGK-UHFFFAOYSA-N -2 0 391.342 3.738 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c(C)c1C(=O)[O-] ZINC000678138432 924627554 /nfs/dbraw/zinc/62/75/54/924627554.db2.gz UJAJCCVFSFBGTH-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000681561934 925851170 /nfs/dbraw/zinc/85/11/70/925851170.db2.gz MZJNOIIQWFMHRD-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1Cl ZINC000753778620 929532989 /nfs/dbraw/zinc/53/29/89/929532989.db2.gz GDSWLYGMZWVEPX-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL CSc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1F ZINC000783856140 931693207 /nfs/dbraw/zinc/69/32/07/931693207.db2.gz QSBYQLOVPPMQAA-UHFFFAOYSA-N -2 0 391.392 3.633 20 0 GHADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000392967562 972549168 /nfs/dbraw/zinc/54/91/68/972549168.db2.gz BFYCKDWIXARGSY-UHFFFAOYSA-N -2 0 396.515 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ZINC001590479832 990056745 /nfs/dbraw/zinc/05/67/45/990056745.db2.gz IBKNHWAELDIKDD-ZDUSSCGKSA-N -2 0 393.427 3.514 20 0 GHADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C3CC3)s2)s1 ZINC001590500703 990115916 /nfs/dbraw/zinc/11/59/16/990115916.db2.gz KZIWOVURHNVNEF-UHFFFAOYSA-N -2 0 386.520 3.879 20 0 GHADRL CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(Br)cc(F)c1[O-] ZINC001591313365 992276374 /nfs/dbraw/zinc/27/63/74/992276374.db2.gz YVRVRGIHZXSSOQ-UHFFFAOYSA-N -2 0 390.249 3.503 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c(Cl)cc1Cl ZINC000318128104 1032476936 /nfs/dbraw/zinc/47/69/36/1032476936.db2.gz WTYJRJOGYDWDCJ-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000901815379 1021450659 /nfs/dbraw/zinc/45/06/59/1021450659.db2.gz NLJGLVIWSLQMIV-UHFFFAOYSA-N -2 0 399.424 3.987 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(Cl)cc1Cl ZINC000755257938 1023157941 /nfs/dbraw/zinc/15/79/41/1023157941.db2.gz 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CC(C)(C)[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC001259069166 1044946269 /nfs/dbraw/zinc/94/62/69/1044946269.db2.gz NKKHRTWCUZKNQO-HNNXBMFYSA-N -2 0 383.416 3.980 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2S(=O)(=O)[O-])cc1C ZINC001259167841 1044988552 /nfs/dbraw/zinc/98/85/52/1044988552.db2.gz JJUZBWSBEDXHQB-UHFFFAOYSA-N -2 0 391.470 3.504 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccsc3c2)c(F)cc1Cl ZINC001259214045 1045014465 /nfs/dbraw/zinc/01/44/65/1045014465.db2.gz ZKXKENPBHBRGCU-UHFFFAOYSA-N -2 0 386.813 3.588 20 0 GHADRL O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cc(Br)cc(F)c1[O-] ZINC001259241255 1045036740 /nfs/dbraw/zinc/03/67/40/1045036740.db2.gz AMABOVNACAVZNR-UHFFFAOYSA-N -2 0 394.649 3.889 20 0 GHADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c(C)cc2s1 ZINC001260216064 1045417350 /nfs/dbraw/zinc/41/73/50/1045417350.db2.gz PNCBBDREVABPCR-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL CC(C)(C)COc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260216396 1045417522 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394.427 3.627 20 0 GHADRL CCC1=C(C(=O)[O-])[C@H](c2ccc(F)c(C)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736933035 599988077 /nfs/dbraw/zinc/98/80/77/599988077.db2.gz YTOYIRTZQRHTNX-SFHVURJKSA-N -2 0 392.427 3.594 20 0 GHADRL CCC1=C(C(=O)[O-])[C@H](c2cccc(Cl)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932327 599988211 /nfs/dbraw/zinc/98/82/11/599988211.db2.gz PGBWMIPBWHVAPW-KRWDZBQOSA-N -2 0 394.855 3.800 20 0 GHADRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(C)s2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932243 599988279 /nfs/dbraw/zinc/98/82/79/599988279.db2.gz OEBXPPMJLIEABL-MRXNPFEDSA-N -2 0 380.466 3.517 20 0 GHADRL CCC1=C(C(=O)[O-])[C@H](c2ccc(C)c(C)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932191 599988381 /nfs/dbraw/zinc/98/83/81/599988381.db2.gz MRJMOKKDXMLUSA-IBGZPJMESA-N -2 0 388.464 3.763 20 0 GHADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cn1 ZINC000736494589 600052399 /nfs/dbraw/zinc/05/23/99/600052399.db2.gz ODJWJDKYLRBFAD-UHFFFAOYSA-N -2 0 392.458 3.583 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC000738546297 600054992 /nfs/dbraw/zinc/05/49/92/600054992.db2.gz RKDDGJPWYDITIC-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000738213984 600057730 /nfs/dbraw/zinc/05/77/30/600057730.db2.gz GYBJHQZEMSFQPJ-UHFFFAOYSA-N -2 0 391.392 3.926 20 0 GHADRL CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])ccc2o1 ZINC000736303838 600095480 /nfs/dbraw/zinc/09/54/80/600095480.db2.gz OVGYZNFJBSGDPR-UHFFFAOYSA-N -2 0 392.408 3.763 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c(F)cc1F ZINC000740089891 600233343 /nfs/dbraw/zinc/23/33/43/600233343.db2.gz MLYKSKZZJWAQBN-UHFFFAOYSA-N -2 0 397.399 3.785 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(OC(F)F)c1 ZINC000740155867 600237769 /nfs/dbraw/zinc/23/77/69/600237769.db2.gz ZCDKYYZUMXXHFJ-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])cnc1Cl ZINC000738477096 600299154 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O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c[nH]1 ZINC000508446099 600670885 /nfs/dbraw/zinc/67/08/85/600670885.db2.gz LVGQNWMZZYVNCR-UHFFFAOYSA-N -2 0 392.820 3.959 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cs1 ZINC000614884888 600676997 /nfs/dbraw/zinc/67/69/97/600676997.db2.gz KKUVOBSITFPNPA-UHFFFAOYSA-N -2 0 389.454 3.826 20 0 GHADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3n2C2CCCC2)cc1 ZINC000739889575 600757814 /nfs/dbraw/zinc/75/78/14/600757814.db2.gz PSCVDVLPEARZIM-UHFFFAOYSA-N -2 0 399.472 3.579 20 0 GHADRL O=C([O-])Cc1ccc(NC(=O)c2cc(Br)cc(Cl)c2[O-])cc1 ZINC000833266385 600825446 /nfs/dbraw/zinc/82/54/46/600825446.db2.gz MTJQKCWRQMLLJR-UHFFFAOYSA-N -2 0 384.613 3.688 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1C(=O)[O-] ZINC000738970326 600897085 /nfs/dbraw/zinc/89/70/85/600897085.db2.gz VGRTVDKZQPJUJQ-UHFFFAOYSA-N -2 0 377.340 3.500 20 0 GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1CCC(C)C ZINC000831944898 601204079 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GHADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)cc1C(=O)[O-] ZINC000832891029 602176139 /nfs/dbraw/zinc/17/61/39/602176139.db2.gz IOLSALFXRFJCIO-CYBMUJFWSA-N -2 0 392.477 3.774 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC(=O)[O-])s1 ZINC000740148793 602652537 /nfs/dbraw/zinc/65/25/37/602652537.db2.gz XRHSMOFKXSRCDG-UHFFFAOYSA-N -2 0 380.369 3.966 20 0 GHADRL C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000825289324 603472269 /nfs/dbraw/zinc/47/22/69/603472269.db2.gz XQKRTCGJQKNKOZ-NSHDSACASA-N -2 0 376.840 3.707 20 0 GHADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc(C)ccc1Br ZINC000833747267 605125651 /nfs/dbraw/zinc/12/56/51/605125651.db2.gz GUIPAGLHENPCRQ-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c2ccccc12 ZINC000833506466 605166581 /nfs/dbraw/zinc/16/65/81/605166581.db2.gz DGXFAXDBRLUXFZ-UHFFFAOYSA-N -2 0 386.429 3.521 20 0 GHADRL CC(C)(C(=O)[N-]OCc1coc(-c2ccc(C(=O)[O-])cc2)n1)c1ccccc1 ZINC000833411514 605185718 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ZINC000463778543 872556609 /nfs/dbraw/zinc/55/66/09/872556609.db2.gz NVXADWUFADBMCP-LLVKDONJSA-N -2 0 387.379 3.558 20 0 GHADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767735471 872810776 /nfs/dbraw/zinc/81/07/76/872810776.db2.gz HESWIQXFUNCWLO-UHFFFAOYSA-N -2 0 391.779 3.516 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cn1 ZINC001196067935 872853647 /nfs/dbraw/zinc/85/36/47/872853647.db2.gz GHLLKXZNZNYLMP-UHFFFAOYSA-N -2 0 382.441 3.864 20 0 GHADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000768281607 873230783 /nfs/dbraw/zinc/23/07/83/873230783.db2.gz DEIIHODATVRKCS-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc(Br)cc(F)c1[O-] ZINC001197608761 873909314 /nfs/dbraw/zinc/90/93/14/873909314.db2.gz PFVPSUVPZYONRN-UHFFFAOYSA-N -2 0 396.184 3.514 20 0 GHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000192154187 882811623 /nfs/dbraw/zinc/81/16/23/882811623.db2.gz LGENHMSQVGCUEQ-UHFFFAOYSA-N -2 0 399.472 3.803 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)nc2ccccc12 ZINC001198746308 874594126 /nfs/dbraw/zinc/59/41/26/874594126.db2.gz CMLRBLJSVVDBRI-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000134618600 882957639 /nfs/dbraw/zinc/95/76/39/882957639.db2.gz QAAWCDRGPZZBKR-UHFFFAOYSA-N -2 0 387.379 3.914 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cnn1CCC(C)C ZINC000491551075 875794184 /nfs/dbraw/zinc/79/41/84/875794184.db2.gz ZUGUIAOLSUJNNN-UHFFFAOYSA-N -2 0 393.509 3.607 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cnn1C(CC)CC ZINC000790421637 879703894 /nfs/dbraw/zinc/70/38/94/879703894.db2.gz NKSANMCGLBMUIM-UHFFFAOYSA-N -2 0 397.472 3.753 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)ccc1C(=O)[O-] ZINC000551115127 883306856 /nfs/dbraw/zinc/30/68/56/883306856.db2.gz ZLNFKXICEYLVCT-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)sc1C(=O)[O-] ZINC000070141529 883991444 /nfs/dbraw/zinc/99/14/44/883991444.db2.gz LYDYJZJPMSWEKG-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000498494918 884616292 /nfs/dbraw/zinc/61/62/92/884616292.db2.gz DWKZCYNEPJWZDF-UHFFFAOYSA-N -2 0 385.388 3.641 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000131933717 886607459 /nfs/dbraw/zinc/60/74/59/886607459.db2.gz DFUBJYZKZRXYII-UHFFFAOYSA-N -2 0 377.340 3.582 20 0 GHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000533692088 891158179 /nfs/dbraw/zinc/15/81/79/891158179.db2.gz WXOSTFWXLLJUIL-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000563245342 893523353 /nfs/dbraw/zinc/52/33/53/893523353.db2.gz QJNHAARJKRNZOU-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1C1CCCCC1 ZINC000563846591 894254916 /nfs/dbraw/zinc/25/49/16/894254916.db2.gz GUCAOAXBTPNPDP-UHFFFAOYSA-N -2 0 397.884 3.849 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1O ZINC001185909328 914168543 /nfs/dbraw/zinc/16/85/43/914168543.db2.gz RIWOMQGGUMYBLA-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL O=C([O-])c1cc(Nc2cccc(C(=O)NCc3ccccc3)c2)cc(C(=O)[O-])c1 ZINC001176241807 908000441 /nfs/dbraw/zinc/00/04/41/908000441.db2.gz YRHMMLMYDDBKNP-UHFFFAOYSA-N -2 0 390.395 3.757 20 0 GHADRL CC(C)CNC(=O)c1ccc(Cl)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176244832 908003228 /nfs/dbraw/zinc/00/32/28/908003228.db2.gz QCAZZVMPHQCTTI-UHFFFAOYSA-N -2 0 390.823 3.866 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cccnc32)c(F)c(Cl)c1F ZINC000779830428 908977821 /nfs/dbraw/zinc/97/78/21/908977821.db2.gz FPWAHIHEBBOEQX-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL O=S(=O)([N-]c1cc(Cl)ccc1[S-])c1c(Cl)nc2sccn21 ZINC001187136933 915048635 /nfs/dbraw/zinc/04/86/35/915048635.db2.gz YGKILVBETHHUOM-UHFFFAOYSA-N -2 0 380.303 3.792 20 0 GHADRL Cc1ccc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cccc2n1 ZINC001187583273 915349709 /nfs/dbraw/zinc/34/97/09/915349709.db2.gz UBSKVFIZVICTPD-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c2ccsc2n1 ZINC001187554342 915350180 /nfs/dbraw/zinc/35/01/80/915350180.db2.gz KFMXPGRQGTVUQA-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2N2CCCC2)c1 ZINC001187589762 915352554 /nfs/dbraw/zinc/35/25/54/915352554.db2.gz QIOYINUHIPKEII-UHFFFAOYSA-N -2 0 398.843 3.578 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3ncc(F)cc23)c1 ZINC001187588920 915353066 /nfs/dbraw/zinc/35/30/66/915353066.db2.gz CKBVARYHBFRTCC-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)c1 ZINC001187581002 915375670 /nfs/dbraw/zinc/37/56/70/915375670.db2.gz DSWUDUPVAPCGKS-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1F ZINC000749141389 924045438 /nfs/dbraw/zinc/04/54/38/924045438.db2.gz ISCUIIKSEQXWGN-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c(C)c1C ZINC000410399351 925616310 /nfs/dbraw/zinc/61/63/10/925616310.db2.gz VBRGZFUICBBEMJ-UHFFFAOYSA-N -2 0 393.461 3.598 20 0 GHADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000544632146 929366414 /nfs/dbraw/zinc/36/64/14/929366414.db2.gz KTNHHNXJFOLXID-UHFFFAOYSA-N -2 0 386.429 3.532 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1Cl ZINC000753769917 929527771 /nfs/dbraw/zinc/52/77/71/929527771.db2.gz LDKTUOZHOFMNQX-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL CC1(C)Cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)ccc2O1 ZINC000759172775 930298674 /nfs/dbraw/zinc/29/86/74/930298674.db2.gz ZDQJJNKXQUCJSG-UHFFFAOYSA-N -2 0 381.837 3.553 20 0 GHADRL COc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1C ZINC000782484284 931237951 /nfs/dbraw/zinc/23/79/51/931237951.db2.gz HYVVQQGSQOIEAH-UHFFFAOYSA-N -2 0 383.853 3.773 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000783849508 931689852 /nfs/dbraw/zinc/68/98/52/931689852.db2.gz MJYWUNCNGKFQAF-NSHDSACASA-N -2 0 397.884 3.623 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)c(C(=O)[O-])c2)s1 ZINC000560009874 933017041 /nfs/dbraw/zinc/01/70/41/933017041.db2.gz AJTQKCCWGCIDAU-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000128324339 958657728 /nfs/dbraw/zinc/65/77/28/958657728.db2.gz SJPORSSHPRZGHA-UHFFFAOYSA-N -2 0 396.309 3.688 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c2cccnc12 ZINC001259218709 960677698 /nfs/dbraw/zinc/67/76/98/960677698.db2.gz HRGAGGMYJJRAMC-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(Br)cc2C)s1 ZINC000314814680 963814095 /nfs/dbraw/zinc/81/40/95/963814095.db2.gz PNWISFCFSWXYIF-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ncc4ccccc4c3[O-])c2)n1 ZINC001625885649 1014314808 /nfs/dbraw/zinc/31/48/08/1014314808.db2.gz OONICTPAWSJXJU-UHFFFAOYSA-N -2 0 386.411 3.918 20 0 GHADRL CC(C)c1c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cnn1-c1ccccc1 ZINC001591923526 976402528 /nfs/dbraw/zinc/40/25/28/976402528.db2.gz RQUCRCBTDWJFRD-UHFFFAOYSA-N -2 0 391.474 3.556 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NC[C@H](C(=O)[O-])C3CCCCC3)n2)c1 ZINC001591983165 976603022 /nfs/dbraw/zinc/60/30/22/976603022.db2.gz KXVURLCMODMFGT-SFHVURJKSA-N -2 0 399.491 3.712 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ccc(CCC(=O)[O-])cc3)n2)c1 ZINC001591983775 976604113 /nfs/dbraw/zinc/60/41/13/976604113.db2.gz RSGHOALHGFMRQE-UHFFFAOYSA-N -2 0 393.443 3.971 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1C ZINC001595026712 979136778 /nfs/dbraw/zinc/13/67/78/979136778.db2.gz KTMBOKFPWOFDAG-JTQLQIEISA-N -2 0 393.490 3.876 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1C1CC1 ZINC001595026663 979137235 /nfs/dbraw/zinc/13/72/35/979137235.db2.gz JVZKKCSJCSSXNX-ASJRZHAZSA-N -2 0 389.477 3.630 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)c1C ZINC001595028082 979148193 /nfs/dbraw/zinc/14/81/93/979148193.db2.gz DYQPHFZHPGSILO-SSDOTTSWSA-N -2 0 391.902 3.685 20 0 GHADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(Br)cc(F)c2[O-])cc1 ZINC001589638573 987560774 /nfs/dbraw/zinc/56/07/74/987560774.db2.gz LWCDSBXASMDHFC-UHFFFAOYSA-N -2 0 396.212 3.908 20 0 GHADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(cccc2Cl)s1 ZINC001597790799 989316957 /nfs/dbraw/zinc/31/69/57/989316957.db2.gz KKVZHYLXZURFML-UHFFFAOYSA-N -2 0 386.838 3.604 20 0 GHADRL C[C@@]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)(c1ccccc1)C(F)(F)F ZINC001593336922 994918005 /nfs/dbraw/zinc/91/80/05/994918005.db2.gz DWGIOYKDTFHTRT-QJWNTBNXSA-N -2 0 399.390 3.540 20 0 GHADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3cccc(Cl)c3C(=O)[O-])c2O1 ZINC001593969322 997132434 /nfs/dbraw/zinc/13/24/34/997132434.db2.gz JMCFXHQHRZPTHE-UHFFFAOYSA-N -2 0 381.837 3.553 20 0 GHADRL COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1Cl ZINC001599333954 997799274 /nfs/dbraw/zinc/79/92/74/997799274.db2.gz FJIZOMQBOYLOJZ-UHFFFAOYSA-N -2 0 382.246 3.563 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1C(=O)[O-] ZINC000156275287 1019645858 /nfs/dbraw/zinc/64/58/58/1019645858.db2.gz YNDXHPHVWLDBJC-UHFFFAOYSA-N -2 0 393.223 3.522 20 0 GHADRL CCSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000756936091 1023875122 /nfs/dbraw/zinc/87/51/22/1023875122.db2.gz LIAGBDLIJQOKQQ-UHFFFAOYSA-N -2 0 387.429 3.717 20 0 GHADRL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000756937059 1023876227 /nfs/dbraw/zinc/87/62/27/1023876227.db2.gz XXOJEWGJTSLYIJ-JTQLQIEISA-N -2 0 385.388 3.641 20 0 GHADRL O=P([O-])([O-])OCCNc1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001157795453 1033774102 /nfs/dbraw/zinc/77/41/02/1033774102.db2.gz DNFFUVANCQINEV-UHFFFAOYSA-N -2 0 385.769 3.533 20 0 GHADRL CC[C@H](C)Oc1ccc(-c2coc3cc([O-])ccc3c2=O)cc1S(=O)(=O)[O-] ZINC001230176386 1033931950 /nfs/dbraw/zinc/93/19/50/1033931950.db2.gz VNFKYZMSUMRPDR-NSHDSACASA-N -2 0 390.413 3.590 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cn2)c1 ZINC001241357839 1035567112 /nfs/dbraw/zinc/56/71/12/1035567112.db2.gz IOGOPAWDZRWLKF-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL COC(=O)c1ccc(N2CCCCC2)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242160967 1035837633 /nfs/dbraw/zinc/83/76/33/1035837633.db2.gz MPQYOPJXUPCHTH-UHFFFAOYSA-N -2 0 383.400 3.527 20 0 GHADRL COc1ccc(C(=O)[O-])cc1-c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)nc1 ZINC001242389238 1035898798 /nfs/dbraw/zinc/89/87/98/1035898798.db2.gz FTPIWYAWHFTOAH-UHFFFAOYSA-N -2 0 398.440 3.565 20 0 GHADRL O=c1cc(-c2ccccc2C(F)(F)F)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245912031 1037052009 /nfs/dbraw/zinc/05/20/09/1037052009.db2.gz FXVLNQDMLOEMJZ-UHFFFAOYSA-N -2 0 384.335 3.510 20 0 GHADRL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1ccc(F)cc1F ZINC001256072251 1041508685 /nfs/dbraw/zinc/50/86/85/1041508685.db2.gz FQDAOWUSHBWMEL-UHFFFAOYSA-N -2 0 380.235 3.817 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c(F)cc1Cl ZINC001259212327 1045012943 /nfs/dbraw/zinc/01/29/43/1045012943.db2.gz MHAMMAMVFWSFDX-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CC3)cc2)c(F)cc1Cl ZINC001259220648 1045018388 /nfs/dbraw/zinc/01/83/88/1045018388.db2.gz DYIUIZGRPAXAGZ-UHFFFAOYSA-N -2 0 397.811 3.571 20 0 GHADRL Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260214533 1045416476 /nfs/dbraw/zinc/41/64/76/1045416476.db2.gz FBJMJDBJPQTMCW-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(SC(F)(F)F)c2)c1 ZINC001260214899 1045416567 /nfs/dbraw/zinc/41/65/67/1045416567.db2.gz AVJKYCWXIIQLFP-UHFFFAOYSA-N -2 0 395.355 3.937 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc(Cl)c1Cl ZINC001260216675 1045417503 /nfs/dbraw/zinc/41/75/03/1045417503.db2.gz VKZVYTYYAIMDEW-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL COc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260392269 1045486961 /nfs/dbraw/zinc/48/69/61/1045486961.db2.gz AAKIDQFFCITETG-UHFFFAOYSA-N -2 0 399.424 3.567 20 0 GHADRL COc1cccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1OC ZINC001260867359 1045723497 /nfs/dbraw/zinc/72/34/97/1045723497.db2.gz UVBJTUMLEQHRPN-UHFFFAOYSA-N -2 0 378.233 3.517 20 0 GHADRL COc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260871918 1045727917 /nfs/dbraw/zinc/72/79/17/1045727917.db2.gz YCVCOQYWEUCKFM-UHFFFAOYSA-N -2 0 383.640 3.557 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2ccc3ccccc3c2S(=O)(=O)[O-])c1C ZINC001260998052 1045812933 /nfs/dbraw/zinc/81/29/33/1045812933.db2.gz DGMJPWNSEIBRJR-UHFFFAOYSA-N -2 0 391.470 3.504 20 0 GHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(SC(F)(F)F)cc2)c1 ZINC001318969258 1054970768 /nfs/dbraw/zinc/97/07/68/1054970768.db2.gz QDYJVUOTRVVLTJ-UHFFFAOYSA-N -2 0 393.364 3.503 20 0 GHADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC001320222363 1055713050 /nfs/dbraw/zinc/71/30/50/1055713050.db2.gz UJWLTUITZRYQFR-UHFFFAOYSA-N -2 0 397.378 3.572 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(OCc2ccccc2)c1 ZINC000738632826 599739118 /nfs/dbraw/zinc/73/91/18/599739118.db2.gz NETNXDNLMJYOBN-UHFFFAOYSA-N -2 0 387.413 3.666 20 0 GHADRL CCC1=C(C(=O)[O-])[C@H](c2ccccc2F)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736932783 600004746 /nfs/dbraw/zinc/00/47/46/600004746.db2.gz WEPSRNQKVOIYDL-SFHVURJKSA-N -2 0 398.390 3.539 20 0 GHADRL COc1c(F)cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1F ZINC000737840464 600053232 /nfs/dbraw/zinc/05/32/32/600053232.db2.gz USSWKUXVMDAJBE-UHFFFAOYSA-N -2 0 399.396 3.687 20 0 GHADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000736404238 600054863 /nfs/dbraw/zinc/05/48/63/600054863.db2.gz WOGRWKAUJZKVSY-NSHDSACASA-N -2 0 385.873 3.643 20 0 GHADRL CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])sc2C1 ZINC000736971426 600055654 /nfs/dbraw/zinc/05/56/54/600055654.db2.gz BQGQONAOOPQCPG-LLVKDONJSA-N -2 0 398.506 3.757 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)sc1-c1ccccc1 ZINC000738865476 600056271 /nfs/dbraw/zinc/05/62/71/600056271.db2.gz PMGLMSBOPBNNCV-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ncccc2OCC2CCCCC2)c1 ZINC000740278661 600104172 /nfs/dbraw/zinc/10/41/72/600104172.db2.gz VESLYBRBNRKDCJ-UHFFFAOYSA-N -2 0 396.490 3.601 20 0 GHADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000467323509 600897658 /nfs/dbraw/zinc/89/76/58/600897658.db2.gz RGSJQVCVZRBKGB-GFCCVEGCSA-N -2 0 393.461 3.716 20 0 GHADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)c1 ZINC000833335354 600983258 /nfs/dbraw/zinc/98/32/58/600983258.db2.gz TVPAVCKZHSYOTD-UHFFFAOYSA-N -2 0 390.461 3.540 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(Cl)c1Cl ZINC000460424389 601045882 /nfs/dbraw/zinc/04/58/82/601045882.db2.gz FOYHRCWNRNJEMO-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000740134621 601050772 /nfs/dbraw/zinc/05/07/72/601050772.db2.gz GZNSBRSNKIYYIB-UHFFFAOYSA-N -2 0 393.770 3.944 20 0 GHADRL O=C([O-])c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])s1 ZINC000833311457 601187273 /nfs/dbraw/zinc/18/72/73/601187273.db2.gz REHPCJMDJSWBOW-UHFFFAOYSA-N -2 0 376.615 3.820 20 0 GHADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000003354615 601317892 /nfs/dbraw/zinc/31/78/92/601317892.db2.gz PKKNSPQROOHLEH-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000484820118 601334198 /nfs/dbraw/zinc/33/41/98/601334198.db2.gz LHZGOGKAAJXDBT-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1C ZINC000828611938 601388092 /nfs/dbraw/zinc/38/80/92/601388092.db2.gz KGRXOMMQOHXBJN-UHFFFAOYSA-N -2 0 381.450 3.792 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)nn2-c2ccccc2)ccc1C(=O)[O-] ZINC000832903509 601402582 /nfs/dbraw/zinc/40/25/82/601402582.db2.gz KMSAUEQJYWHHTD-UHFFFAOYSA-N -2 0 397.456 3.557 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)nn2-c2ccccc2)cc1C(=O)[O-] ZINC000832955762 601402628 /nfs/dbraw/zinc/40/26/28/601402628.db2.gz AGRKHICMDRQHAK-UHFFFAOYSA-N -2 0 397.456 3.557 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c(Cl)c1 ZINC000489552854 601475802 /nfs/dbraw/zinc/47/58/02/601475802.db2.gz QRPBJBIRAGIVRD-UHFFFAOYSA-N -2 0 399.827 3.909 20 0 GHADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C(=O)[O-])cc3)c2n1 ZINC000530770011 601557464 /nfs/dbraw/zinc/55/74/64/601557464.db2.gz NYHFZEBTQLTPRG-UHFFFAOYSA-N -2 0 384.457 3.706 20 0 GHADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(=O)[O-])c3)c2n1 ZINC000531485580 601557555 /nfs/dbraw/zinc/55/75/55/601557555.db2.gz RQYOWRLOUHSNSN-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnccc1-c1cccc(F)c1 ZINC000832853275 601795280 /nfs/dbraw/zinc/79/52/80/601795280.db2.gz SUTRKKAYYJMOIN-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)ccc1Cl ZINC000833306217 601829541 /nfs/dbraw/zinc/82/95/41/601829541.db2.gz GKLJHOHNJIJMLI-UHFFFAOYSA-N -2 0 383.857 3.541 20 0 GHADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1Oc1ccncc1 ZINC000833293793 601847993 /nfs/dbraw/zinc/84/79/93/601847993.db2.gz ITKWXIFQKQVBDX-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(Cl)cc1F ZINC000832904252 602113225 /nfs/dbraw/zinc/11/32/25/602113225.db2.gz CACLGPRMYHYKIZ-UHFFFAOYSA-N -2 0 376.768 3.817 20 0 GHADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000739922682 602652309 /nfs/dbraw/zinc/65/23/09/602652309.db2.gz COXXUOYTVMHOGJ-UHFFFAOYSA-N -2 0 390.339 3.605 20 0 GHADRL O=C([O-])NC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000832534514 603750083 /nfs/dbraw/zinc/75/00/83/603750083.db2.gz WFHIWFCBBMHEQO-ZDUSSCGKSA-N -2 0 388.851 3.832 20 0 GHADRL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cc1 ZINC000828612443 604624174 /nfs/dbraw/zinc/62/41/74/604624174.db2.gz WQVRBCQCHDXZTB-UHFFFAOYSA-N -2 0 382.507 3.649 20 0 GHADRL CC1=C(C(=O)[O-])[C@@H](c2coc3ccccc32)NC(=O)N1CCCCCC(=O)[O-] ZINC000833575756 604874821 /nfs/dbraw/zinc/87/48/21/604874821.db2.gz COMXPXNKYLIXQU-GOSISDBHSA-N -2 0 386.404 3.503 20 0 GHADRL C[C@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2)C1 ZINC000833607922 605185581 /nfs/dbraw/zinc/18/55/81/605185581.db2.gz JZKKPFKBNALATI-SUMWQHHRSA-N -2 0 393.461 3.874 20 0 GHADRL CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2C1 ZINC000833484322 605343497 /nfs/dbraw/zinc/34/34/97/605343497.db2.gz XWQSTBAEAVMBMV-UHFFFAOYSA-N -2 0 394.518 3.609 20 0 GHADRL COc1cc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc(Br)c1O ZINC000172488451 837542819 /nfs/dbraw/zinc/54/28/19/837542819.db2.gz BWMGJTASMOEBSI-SNAWJCMRSA-N -2 0 393.237 3.945 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1OC(C)C ZINC000605291977 834681519 /nfs/dbraw/zinc/68/15/19/834681519.db2.gz RYORLHRXWYWHTH-UHFFFAOYSA-N -2 0 389.882 3.996 20 0 GHADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000122162659 838494882 /nfs/dbraw/zinc/49/48/82/838494882.db2.gz NMOKHWWFPOGCKI-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000548264172 842331088 /nfs/dbraw/zinc/33/10/88/842331088.db2.gz YHYPDQYJHIUOJX-UHFFFAOYSA-N -2 0 385.319 3.658 20 0 GHADRL CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000320164735 843019097 /nfs/dbraw/zinc/01/90/97/843019097.db2.gz YEOBECYVPONHHM-UHFFFAOYSA-N -2 0 398.278 3.901 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000512758076 845378822 /nfs/dbraw/zinc/37/88/22/845378822.db2.gz WVPZOVCDGPSMJM-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000512771235 845471588 /nfs/dbraw/zinc/47/15/88/845471588.db2.gz KRSYXAXQCOQVRQ-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1)C(=O)[O-] ZINC000504665776 850223377 /nfs/dbraw/zinc/22/33/77/850223377.db2.gz LDZFXJGBMMXJKK-VIFPVBQESA-N -2 0 389.857 3.845 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000505118558 850619134 /nfs/dbraw/zinc/61/91/34/850619134.db2.gz HDJHXXHJLJNBDH-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)c1cc(F)c([O-])c(Cl)c1 ZINC000436898221 852483559 /nfs/dbraw/zinc/48/35/59/852483559.db2.gz WZLALHRDWDSKGP-UHFFFAOYSA-N -2 0 399.781 3.579 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c(F)c1 ZINC000438769880 852827506 /nfs/dbraw/zinc/82/75/06/852827506.db2.gz GIBJTGZWKFHPQM-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1Cl ZINC000438773700 852831980 /nfs/dbraw/zinc/83/19/80/852831980.db2.gz PNBNSNQACBCZHJ-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL COc1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)ccc1OCCC(=O)[O-] ZINC000439271440 853498101 /nfs/dbraw/zinc/49/81/01/853498101.db2.gz GNJOAZXBCQVARU-CLTKARDFSA-N -2 0 383.356 3.559 20 0 GHADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CCC(C)C ZINC000520079151 853810621 /nfs/dbraw/zinc/81/06/21/853810621.db2.gz ZSWMEZOOGFJZKP-UHFFFAOYSA-N -2 0 391.489 3.712 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)cc1C(=O)[O-] ZINC000481956783 862550017 /nfs/dbraw/zinc/55/00/17/862550017.db2.gz JNIKRBNBNSSXNM-UHFFFAOYSA-N -2 0 397.452 3.790 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000057123418 855227712 /nfs/dbraw/zinc/22/77/12/855227712.db2.gz HRTGSNIMFZLHPZ-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(Cl)cc1C(=O)[O-] ZINC000485271988 856300424 /nfs/dbraw/zinc/30/04/24/856300424.db2.gz MGWLIMZBGRGZME-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C1CC1 ZINC000536495491 856368617 /nfs/dbraw/zinc/36/86/17/856368617.db2.gz BNEFCFKLXXYQFL-JTQLQIEISA-N -2 0 397.884 3.884 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C(C)C)sc1C(=O)[O-] ZINC000486103819 857431903 /nfs/dbraw/zinc/43/19/03/857431903.db2.gz BCANNNOYNZQLCA-UHFFFAOYSA-N -2 0 399.538 3.922 20 0 GHADRL Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486104620 857433209 /nfs/dbraw/zinc/43/32/09/857433209.db2.gz WZCSPOGQKBPXBG-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL O=P([O-])([O-])OCCNc1nc2ccccc2c2nc(C3CCCCC3)[nH]c21 ZINC001168587177 857593937 /nfs/dbraw/zinc/59/39/37/857593937.db2.gz PEZMCEMRZIIKBS-UHFFFAOYSA-N -2 0 390.380 3.680 20 0 GHADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000181771640 863008628 /nfs/dbraw/zinc/00/86/28/863008628.db2.gz BPCPLBUHWBPBNZ-CYBMUJFWSA-N -2 0 393.509 3.535 20 0 GHADRL CCCOCCOc1cccc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)c1 ZINC000574823645 858331723 /nfs/dbraw/zinc/33/17/23/858331723.db2.gz MIRNWVBPPBGQOY-UHFFFAOYSA-N -2 0 384.428 3.973 20 0 GHADRL C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000443533735 858904149 /nfs/dbraw/zinc/90/41/49/858904149.db2.gz WTAJIHXNXLNARQ-CYBMUJFWSA-N -2 0 385.445 3.687 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1 ZINC000013299859 860306555 /nfs/dbraw/zinc/30/65/55/860306555.db2.gz ILTVXCBVDNAPEU-UHFFFAOYSA-N -2 0 389.454 3.826 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000484801739 860359799 /nfs/dbraw/zinc/35/97/99/860359799.db2.gz CSPSOCIQDBGYMC-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000013359019 860364604 /nfs/dbraw/zinc/36/46/04/860364604.db2.gz IPGPFDVKUXPTLA-UHFFFAOYSA-N -2 0 399.424 3.987 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000484818427 860377233 /nfs/dbraw/zinc/37/72/33/860377233.db2.gz YJWKHPTXQVSPPU-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)ccc1C(=O)[O-] ZINC000671660482 860564259 /nfs/dbraw/zinc/56/42/59/860564259.db2.gz MMHNUSYVCBUCNA-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000391623003 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SKGMXFBWIUWOQO-VMPITWQZSA-N -2 0 378.331 3.525 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c1F ZINC000793445413 882188159 /nfs/dbraw/zinc/18/81/59/882188159.db2.gz XDJRHSOECWHHCM-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cc(C(=O)[O-])cs2)C1 ZINC000445545400 868593956 /nfs/dbraw/zinc/59/39/56/868593956.db2.gz ZEJCEWMXLWSXCE-IZZDOVSWSA-N -2 0 380.425 3.679 20 0 GHADRL CSc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(F)c1 ZINC001194018034 871435054 /nfs/dbraw/zinc/43/50/54/871435054.db2.gz WJPOGFHLGNKLMB-UHFFFAOYSA-N -2 0 393.820 3.839 20 0 GHADRL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)cc2O1 ZINC000785486331 871618957 /nfs/dbraw/zinc/61/89/57/871618957.db2.gz HWMWYVSVQSIDQH-SFHVURJKSA-N -2 0 395.408 3.531 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)cc1)C(=O)[O-] ZINC000463786764 872603791 /nfs/dbraw/zinc/60/37/91/872603791.db2.gz CZRQCROYPCSJKY-CYBMUJFWSA-N -2 0 397.880 3.803 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)ncc1C ZINC001196076312 872865799 /nfs/dbraw/zinc/86/57/99/872865799.db2.gz PJDQJHIYKDGJOK-UHFFFAOYSA-N -2 0 398.440 3.565 20 0 GHADRL COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-])CC2 ZINC000769887020 874351312 /nfs/dbraw/zinc/35/13/12/874351312.db2.gz IYCRCKBYEQCEHQ-UHFFFAOYSA-N -2 0 383.828 3.922 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc2ccccc2nc1C(F)(F)F ZINC001198746347 874594109 /nfs/dbraw/zinc/59/41/09/874594109.db2.gz FGDIGSKJTXQDHE-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL Cc1cc(Oc2ccccc2)ncc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198746748 874595655 /nfs/dbraw/zinc/59/56/55/874595655.db2.gz KLKVHXAKSWVFTE-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1C(C)C ZINC000790423122 879704004 /nfs/dbraw/zinc/70/40/04/879704004.db2.gz XQQVAIBEWSRCKZ-UHFFFAOYSA-N -2 0 397.472 3.753 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc(C(=O)[O-])c1Cl ZINC000776748524 879884167 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20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2C(F)(F)F)cc1C(=O)[O-] ZINC001184667898 913357154 /nfs/dbraw/zinc/35/71/54/913357154.db2.gz NEWPMCSXYWHCEY-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NN=c1cnc2ccccc2[nH]1 ZINC000163472020 892017109 /nfs/dbraw/zinc/01/71/09/892017109.db2.gz FEIWVKHCONKLEL-UHFFFAOYSA-N -2 0 378.823 3.534 20 0 GHADRL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000288092245 913653117 /nfs/dbraw/zinc/65/31/17/913653117.db2.gz AEHHLTYTRFKHDP-UHFFFAOYSA-N -2 0 394.396 3.784 20 0 GHADRL O=C([O-])[C@H]1CCCCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000263051568 892416013 /nfs/dbraw/zinc/41/60/13/892416013.db2.gz DLBPMHAHHOQSSN-CQSZACIVSA-N -2 0 387.436 3.642 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)cc(C(=O)[O-])c1F ZINC000778566886 896813165 /nfs/dbraw/zinc/81/31/65/896813165.db2.gz OFWFWCYBBDFOSP-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)(F)F ZINC001185909358 914168603 /nfs/dbraw/zinc/16/86/03/914168603.db2.gz SOXMLWZLAOTERX-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL CC(=O)c1cc(F)c(Br)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244834 908003631 /nfs/dbraw/zinc/00/36/31/908003631.db2.gz QCPLGZXLUPJQQJ-UHFFFAOYSA-N -2 0 396.168 3.931 20 0 GHADRL O=C([O-])c1cc(Nc2ccc3c(c2Br)C(=O)CC3)cc(C(=O)[O-])c1 ZINC001176245045 908004220 /nfs/dbraw/zinc/00/42/20/908004220.db2.gz RIBOGFXDKUJJJS-UHFFFAOYSA-N -2 0 390.189 3.718 20 0 GHADRL Cc1c(Cl)cc(NC(=O)CSc2n[n-]c(=S)s2)c([O-])c1Cl ZINC001177343918 908536122 /nfs/dbraw/zinc/53/61/22/908536122.db2.gz WBVXXDZTQHKEOV-UHFFFAOYSA-N -2 0 382.319 3.878 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc3ccccc32)c(F)c(Cl)c1F ZINC000779841992 909020863 /nfs/dbraw/zinc/02/08/63/909020863.db2.gz JUTATYXBBFGCPG-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000775295885 916843981 /nfs/dbraw/zinc/84/39/81/916843981.db2.gz UZRVOLBZJAYWKA-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL O=C(Nc1c(Cl)ccc2ncccc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189888299 916991641 /nfs/dbraw/zinc/99/16/41/916991641.db2.gz CKCQOWMAIGYGRK-UHFFFAOYSA-N -2 0 378.708 3.612 20 0 GHADRL Cc1nc2cc(Cl)c(NC(=O)c3ccccc3OP(=O)([O-])[O-])cc2o1 ZINC001189888563 916991989 /nfs/dbraw/zinc/99/19/89/916991989.db2.gz GJMUTRAUCZEYOP-UHFFFAOYSA-N -2 0 382.696 3.513 20 0 GHADRL O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000370537166 924154489 /nfs/dbraw/zinc/15/44/89/924154489.db2.gz ATWVRTGZIZIMGO-UHFFFAOYSA-N -2 0 382.441 3.557 20 0 GHADRL Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n1 ZINC000371942768 925012389 /nfs/dbraw/zinc/01/23/89/925012389.db2.gz HJIUHBDNHRFTBT-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000680489348 925494217 /nfs/dbraw/zinc/49/42/17/925494217.db2.gz SLZALFUZZXXFNB-AWEZNQCLSA-N -2 0 384.457 3.607 20 0 GHADRL CCC(C)(C)OCc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000544576002 929302204 /nfs/dbraw/zinc/30/22/04/929302204.db2.gz JSNUZCWWJRTVOK-UHFFFAOYSA-N -2 0 396.447 3.702 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCc2ccccc21 ZINC000467755668 929378094 /nfs/dbraw/zinc/37/80/94/929378094.db2.gz CUVYYCQMLKBCFJ-UHFFFAOYSA-N -2 0 398.440 3.781 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1F ZINC000753773732 929529762 /nfs/dbraw/zinc/52/97/62/929529762.db2.gz BBSNSSVMMNISPQ-UHFFFAOYSA-N -2 0 387.816 3.685 20 0 GHADRL O=S(=O)([N-]c1ccc(-c2nc(CCC3CC3)no2)c([O-])c1)c1cccs1 ZINC000546531970 930245371 /nfs/dbraw/zinc/24/53/71/930245371.db2.gz NNNFGOINBGTLSH-UHFFFAOYSA-N -2 0 391.474 3.647 20 0 GHADRL O=C([O-])CCOc1cccc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])c1 ZINC000470246327 930484712 /nfs/dbraw/zinc/48/47/12/930484712.db2.gz FXRNXZVFNHZACO-MDZDMXLPSA-N -2 0 390.395 3.866 20 0 GHADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1 ZINC000327723072 971421743 /nfs/dbraw/zinc/42/17/43/971421743.db2.gz FKDPTBTWYKPQAD-UHFFFAOYSA-N -2 0 380.447 3.820 20 0 GHADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001591755189 975815675 /nfs/dbraw/zinc/81/56/75/975815675.db2.gz DQKXKBSQACCMSI-BJMVGYQFSA-N -2 0 379.409 3.512 20 0 GHADRL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001596912819 985921385 /nfs/dbraw/zinc/92/13/85/985921385.db2.gz HWXXHOGJULWYEE-ZDUSSCGKSA-N -2 0 393.867 3.788 20 0 GHADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])cc1 ZINC001589641147 987563026 /nfs/dbraw/zinc/56/30/26/987563026.db2.gz LKHRJWZHKZIUNS-UHFFFAOYSA-N -2 0 399.834 3.846 20 0 GHADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001599584923 993599974 /nfs/dbraw/zinc/59/99/74/993599974.db2.gz YDMTUSYXCFKYFW-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL COc1ccc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])c(C(=O)[O-])c1 ZINC001599596445 993754201 /nfs/dbraw/zinc/75/42/01/993754201.db2.gz BUWJQVCDCRWCDT-UHFFFAOYSA-N -2 0 395.415 3.660 20 0 GHADRL CC1=C(C(=O)[O-])[C@H](c2ccc(C(C)C)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC001594095146 998062700 /nfs/dbraw/zinc/06/27/00/998062700.db2.gz AAWSXNFGVSPJGX-IBGZPJMESA-N -2 0 388.464 3.880 20 0 GHADRL COc1cc(O[C@H](C)C2=CC=C[CH]2)c(C(=O)c2ccccc2)cc1S(=O)(=O)[O-] ZINC001227443505 1032421953 /nfs/dbraw/zinc/42/19/53/1032421953.db2.gz HRNIQUHRGXEGOA-CQSZACIVSA-N -2 0 399.444 3.641 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc(Cl)c1Cl ZINC000754259443 1022564567 /nfs/dbraw/zinc/56/45/67/1022564567.db2.gz RJNZBRRMPCNCFH-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL Cc1c(Cl)c(Nc2cc(S(=O)(=O)[O-])ccc2Cl)ccc1C(=O)[O-] ZINC001215692649 1029351221 /nfs/dbraw/zinc/35/12/21/1029351221.db2.gz OPSMESBDVDXPIJ-UHFFFAOYSA-N -2 0 376.217 3.990 20 0 GHADRL COc1c(C)cc(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)cc1C ZINC001216745798 1029915957 /nfs/dbraw/zinc/91/59/57/1029915957.db2.gz HDQBYSCKVKVPQR-UHFFFAOYSA-N -2 0 376.305 3.501 20 0 GHADRL O=P([O-])([O-])Oc1ccccc1-c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001216745038 1029915980 /nfs/dbraw/zinc/91/59/80/1029915980.db2.gz RKSFVCIKYDEARQ-UHFFFAOYSA-N -2 0 388.650 3.807 20 0 GHADRL O=P([O-])([O-])Oc1ccccc1-c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001216746315 1029916005 /nfs/dbraw/zinc/91/60/05/1029916005.db2.gz PUWHXVFEPDPBLA-UHFFFAOYSA-N -2 0 385.272 3.530 20 0 GHADRL Cc1sc2nc(-c3cccs3)nc(NCCOP(=O)([O-])[O-])c2c1C ZINC001157795848 1033774972 /nfs/dbraw/zinc/77/49/72/1033774972.db2.gz OCMFOXPJFCFMRG-UHFFFAOYSA-N -2 0 385.407 3.558 20 0 GHADRL O=C([O-])c1ccc(-c2ncccc2S(=O)(=O)[N-]c2cccc(F)c2)cc1F ZINC001241184432 1035531513 /nfs/dbraw/zinc/53/15/13/1035531513.db2.gz HUASWIZMLRDYRS-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)c1 ZINC001242159543 1035836373 /nfs/dbraw/zinc/83/63/73/1035836373.db2.gz RNPWZZDBRBHHJL-UHFFFAOYSA-N -2 0 398.321 3.676 20 0 GHADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)c1 ZINC001242162546 1035838014 /nfs/dbraw/zinc/83/80/14/1035838014.db2.gz IBWQUMHQEULEPT-UHFFFAOYSA-N -2 0 376.233 3.969 20 0 GHADRL O=P([O-])([O-])Oc1ccccc1-c1nnc(-c2cccc(Br)c2)o1 ZINC001253226815 1039483432 /nfs/dbraw/zinc/48/34/32/1039483432.db2.gz CFDFBLGZSVBGKX-UHFFFAOYSA-N -2 0 397.121 3.638 20 0 GHADRL C[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1c(F)c(F)c(F)c(F)c1F ZINC001234333781 1039971085 /nfs/dbraw/zinc/97/10/85/1039971085.db2.gz BGBYXNOUTOFLJD-LURJTMIESA-N -2 0 384.193 3.994 20 0 GHADRL COc1ccccc1[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C(F)(F)F ZINC001234334796 1039971143 /nfs/dbraw/zinc/97/11/43/1039971143.db2.gz HIGQNHFEUIIRCH-AWEZNQCLSA-N -2 0 378.239 3.849 20 0 GHADRL O=C([O-])/C=C/c1cccc(-c2ncccc2S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC001240548294 1042940092 /nfs/dbraw/zinc/94/00/92/1042940092.db2.gz CWCPWYICFMIMBN-MDZDMXLPSA-N -2 0 398.415 3.786 20 0 GHADRL O=c1[n-]c(F)c(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1Cl ZINC001258911045 1044866699 /nfs/dbraw/zinc/86/66/99/1044866699.db2.gz ANBWNWUBGJFSSQ-UHFFFAOYSA-N -2 0 389.594 3.826 20 0 GHADRL Cc1cncc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)c12 ZINC001259220308 1045018345 /nfs/dbraw/zinc/01/83/45/1045018345.db2.gz BWOBMOXZGNSBGA-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)Nc2nc(Cl)c(Cl)cc2Cl)c1 ZINC001260184230 1045404365 /nfs/dbraw/zinc/40/43/65/1045404365.db2.gz CPJPMKGTYFGNON-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)c1 ZINC001260189164 1045405222 /nfs/dbraw/zinc/40/52/22/1045405222.db2.gz IURQFGNHACVBDC-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3c(cccc3C(F)(F)F)c2)cc1 ZINC001260222003 1045419560 /nfs/dbraw/zinc/41/95/60/1045419560.db2.gz GIGLYRPWIDABTQ-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL O=S(=O)([N-]c1cc(-c2cccnc2)ccn1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868292 1045724915 /nfs/dbraw/zinc/72/49/15/1045724915.db2.gz WFXNZXUNJRPKBP-UHFFFAOYSA-N -2 0 396.255 3.957 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)cc(C(=O)[O-])c1C ZINC001320799366 1055966658 /nfs/dbraw/zinc/96/66/58/1055966658.db2.gz JXUOIAMQKOQWCN-UHFFFAOYSA-N -2 0 377.466 3.504 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1Cl ZINC000032601685 599885550 /nfs/dbraw/zinc/88/55/50/599885550.db2.gz GJBLYJUNRNXBPL-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1C(=O)[O-] ZINC000485047689 599925319 /nfs/dbraw/zinc/92/53/19/599925319.db2.gz FWZIQECJLNTSHU-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000739873561 599928028 /nfs/dbraw/zinc/92/80/28/599928028.db2.gz GFQRHAPXDJWEKH-UHFFFAOYSA-N -2 0 389.857 3.598 20 0 GHADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])nc21 ZINC000738578692 600054735 /nfs/dbraw/zinc/05/47/35/600054735.db2.gz HTLIENQJLKSTJP-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)c1C(=O)[O-] ZINC000738745955 600055982 /nfs/dbraw/zinc/05/59/82/600055982.db2.gz AELMMIWPJNSQRZ-UHFFFAOYSA-N -2 0 380.491 3.610 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1C(C)(C)C ZINC000738546409 600055987 /nfs/dbraw/zinc/05/59/87/600055987.db2.gz ZKKRTFSRCQQGLH-UHFFFAOYSA-N -2 0 393.509 3.743 20 0 GHADRL CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737496372 600098772 /nfs/dbraw/zinc/09/87/72/600098772.db2.gz MASOWJKIIHDSLR-CYBMUJFWSA-N -2 0 398.271 3.961 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c(F)cc1F ZINC000740090110 600234207 /nfs/dbraw/zinc/23/42/07/600234207.db2.gz SFFQWDMRZNHBGJ-UHFFFAOYSA-N -2 0 399.268 3.622 20 0 GHADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481986039 600628974 /nfs/dbraw/zinc/62/89/74/600628974.db2.gz ZOJRYRFSYLWVEP-UHFFFAOYSA-N -2 0 385.894 3.880 20 0 GHADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2)cs1 ZINC000614769713 600672592 /nfs/dbraw/zinc/67/25/92/600672592.db2.gz RXSOYZLANHZZPE-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1C(F)(F)F ZINC000745979512 600686971 /nfs/dbraw/zinc/68/69/71/600686971.db2.gz UDRLFRDENZCDMK-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000321742317 600774931 /nfs/dbraw/zinc/77/49/31/600774931.db2.gz KYUWDQJMGGKGGT-UHFFFAOYSA-N -2 0 378.222 3.769 20 0 GHADRL O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833234508 600978520 /nfs/dbraw/zinc/97/85/20/600978520.db2.gz XSAOVLVRPHZDSQ-UHFFFAOYSA-N -2 0 392.383 3.512 20 0 GHADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000833260728 601232373 /nfs/dbraw/zinc/23/23/73/601232373.db2.gz IIZNVINYSRYFNW-UHFFFAOYSA-N -2 0 397.861 3.819 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)ccc1F ZINC000324097870 601358295 /nfs/dbraw/zinc/35/82/95/601358295.db2.gz CBFGIBCAWYHPIS-UHFFFAOYSA-N -2 0 386.813 3.588 20 0 GHADRL O=C([O-])CCSCc1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000833239179 601557995 /nfs/dbraw/zinc/55/79/95/601557995.db2.gz DWNXOCIMDCWZFK-UHFFFAOYSA-N -2 0 391.470 3.942 20 0 GHADRL CSc1ccncc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000832789653 601577373 /nfs/dbraw/zinc/57/73/73/601577373.db2.gz CVAFBWVUOXKEQH-UHFFFAOYSA-N -2 0 380.472 3.517 20 0 GHADRL O=C([O-])NCc1ccc(NC(=O)c2cc(Cl)cc(Br)c2[O-])cc1 ZINC000833282743 601757882 /nfs/dbraw/zinc/75/78/82/601757882.db2.gz ZZFAFFCDESXDCL-UHFFFAOYSA-N -2 0 399.628 3.828 20 0 GHADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832780820 601839176 /nfs/dbraw/zinc/83/91/76/601839176.db2.gz HFOBBARWOUSJSY-UHFFFAOYSA-N -2 0 393.273 3.609 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)ccc1Cl ZINC000833304027 601844058 /nfs/dbraw/zinc/84/40/58/601844058.db2.gz LBFXDDKFLKTFQK-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832780801 601859974 /nfs/dbraw/zinc/85/99/74/601859974.db2.gz GHLQGAOGCGWQOO-UHFFFAOYSA-N -2 0 375.830 3.700 20 0 GHADRL Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2C)n1 ZINC000763302332 601988771 /nfs/dbraw/zinc/98/87/71/601988771.db2.gz MIOYTHIAPYJMSS-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000833318365 602170546 /nfs/dbraw/zinc/17/05/46/602170546.db2.gz ZRSOMRSKGRBEGS-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cs3)s2)cs1 ZINC000832990807 602202126 /nfs/dbraw/zinc/20/21/26/602202126.db2.gz CITMHXSPEFHBHN-UHFFFAOYSA-N -2 0 386.501 3.741 20 0 GHADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000776435012 602315550 /nfs/dbraw/zinc/31/55/50/602315550.db2.gz VWKPLJRSVBSCKK-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL O=C([O-])Nc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000740701818 602652508 /nfs/dbraw/zinc/65/25/08/602652508.db2.gz MCCZIRAKINUCNE-UHFFFAOYSA-N -2 0 378.303 3.735 20 0 GHADRL O=C([O-])NCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000740680830 602656082 /nfs/dbraw/zinc/65/60/82/602656082.db2.gz WXUKHXTZPAHKDD-UHFFFAOYSA-N -2 0 375.233 3.562 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)cc2OC2CCCC2)c1 ZINC000676233459 604398681 /nfs/dbraw/zinc/39/86/81/604398681.db2.gz LILUIXMILOPTMW-UHFFFAOYSA-N -2 0 385.438 3.708 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833726888 605168581 /nfs/dbraw/zinc/16/85/81/605168581.db2.gz JNSFPKRQFPPYBC-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1C(=O)[O-] ZINC000579783372 834693257 /nfs/dbraw/zinc/69/32/57/834693257.db2.gz DTNZTQZNMGWHKM-UHFFFAOYSA-N -2 0 383.344 3.713 20 0 GHADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000160225284 834727298 /nfs/dbraw/zinc/72/72/98/834727298.db2.gz VPYMWKYVTVGQOU-UHFFFAOYSA-N -2 0 395.305 3.569 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)cc(C(=O)[O-])c1C ZINC000471131138 834856698 /nfs/dbraw/zinc/85/66/98/834856698.db2.gz ACTWUDRQQZYNRF-UHFFFAOYSA-N -2 0 381.425 3.729 20 0 GHADRL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1 ZINC000066813780 839079207 /nfs/dbraw/zinc/07/92/07/839079207.db2.gz GCCASWIVTANWLL-UHFFFAOYSA-N -2 0 390.244 3.639 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)sc1C(=O)[O-] ZINC000535780809 844441096 /nfs/dbraw/zinc/44/10/96/844441096.db2.gz CFAKSSHXEODISL-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000647126863 839637605 /nfs/dbraw/zinc/63/76/05/839637605.db2.gz DKTYBTUGADZNCN-UHFFFAOYSA-N -2 0 377.462 3.800 20 0 GHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1)C(=O)[O-] ZINC000581875348 842352843 /nfs/dbraw/zinc/35/28/43/842352843.db2.gz WSUKOPCUZXMDLZ-SECBINFHSA-N -2 0 389.807 3.682 20 0 GHADRL COc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000481434818 861384811 /nfs/dbraw/zinc/38/48/11/861384811.db2.gz LOZRHUBABRWWOV-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000509540211 846198929 /nfs/dbraw/zinc/19/89/29/846198929.db2.gz PCLMLUINVNKSFE-UHFFFAOYSA-N -2 0 389.401 3.509 20 0 GHADRL COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000015348098 851252807 /nfs/dbraw/zinc/25/28/07/851252807.db2.gz FPTBEZQPOKUTBL-UHFFFAOYSA-N -2 0 377.462 3.800 20 0 GHADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1 ZINC000488261646 851324456 /nfs/dbraw/zinc/32/44/56/851324456.db2.gz JWLCXWAYUYXSHM-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000434623825 851375144 /nfs/dbraw/zinc/37/51/44/851375144.db2.gz DWGNIJDTTPCNLF-UHFFFAOYSA-N -2 0 381.475 3.533 20 0 GHADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000517636863 852192859 /nfs/dbraw/zinc/19/28/59/852192859.db2.gz RUTQRQHMQSOFOV-UHFFFAOYSA-N -2 0 385.894 3.880 20 0 GHADRL O=C([O-])c1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c(F)c1F ZINC001212515513 862367097 /nfs/dbraw/zinc/36/70/97/862367097.db2.gz ZZRRUPLNBDJMST-UHFFFAOYSA-N -2 0 379.340 3.807 20 0 GHADRL CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000489745617 852566908 /nfs/dbraw/zinc/56/69/08/852566908.db2.gz NXZHNWGAAUUYRL-UHFFFAOYSA-N -2 0 383.853 3.764 20 0 GHADRL CCCOc1ccc(S(=O)(=O)[N-]c2c(OCC)ccc(F)c2C(=O)[O-])cc1 ZINC000438757447 852810047 /nfs/dbraw/zinc/81/00/47/852810047.db2.gz LNWSVQTWLJBLRS-UHFFFAOYSA-N -2 0 397.424 3.512 20 0 GHADRL COc1cc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)ccc1OCCC(=O)[O-] ZINC000439279348 853504653 /nfs/dbraw/zinc/50/46/53/853504653.db2.gz YDBIJPQUBQWYAR-VURMDHGXSA-N -2 0 383.356 3.559 20 0 GHADRL COc1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)ccc1OCCC(=O)[O-] ZINC000439281116 853507389 /nfs/dbraw/zinc/50/73/89/853507389.db2.gz XQEWDDRAHMLZSW-XVNBXDOJSA-N -2 0 383.356 3.559 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c(C)c1C(=O)[O-] ZINC000520291357 854046662 /nfs/dbraw/zinc/04/66/62/854046662.db2.gz AOFZREBJLPLOPS-UHFFFAOYSA-N -2 0 390.244 3.815 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000320401584 855551986 /nfs/dbraw/zinc/55/19/86/855551986.db2.gz LTRLISSCMYAQNL-UHFFFAOYSA-N -2 0 385.772 3.919 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)sc1C(=O)[O-] ZINC000674648245 856582797 /nfs/dbraw/zinc/58/27/97/856582797.db2.gz HGMZRMHYOCURJQ-UHFFFAOYSA-N -2 0 383.491 3.871 20 0 GHADRL CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000674647354 856607857 /nfs/dbraw/zinc/60/78/57/856607857.db2.gz YWPJYZXGFOUPOY-UHFFFAOYSA-N -2 0 381.425 3.640 20 0 GHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000507907843 856678838 /nfs/dbraw/zinc/67/88/38/856678838.db2.gz HZQFHFLUUDBAEL-MRVPVSSYSA-N -2 0 391.342 3.622 20 0 GHADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2ccc(C3CCCC3)cc2)c1 ZINC001212457494 857375103 /nfs/dbraw/zinc/37/51/03/857375103.db2.gz GCBFNAVVDAXXOU-UHFFFAOYSA-N -2 0 397.474 3.581 20 0 GHADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2ccc(-c3ccc(F)cc3)cc21 ZINC001168590450 857716301 /nfs/dbraw/zinc/71/63/01/857716301.db2.gz ZOIXZAQOJHKZTR-UHFFFAOYSA-N -2 0 397.730 3.611 20 0 GHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000521625022 858192485 /nfs/dbraw/zinc/19/24/85/858192485.db2.gz DYSBIKCTRHVGES-UHFFFAOYSA-N -2 0 395.456 3.643 20 0 GHADRL CCc1ccccc1NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000522394696 859337666 /nfs/dbraw/zinc/33/76/66/859337666.db2.gz DPSBCEVKEIFCAY-UHFFFAOYSA-N -2 0 377.462 3.602 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC(F)F ZINC000060800399 860068319 /nfs/dbraw/zinc/06/83/19/860068319.db2.gz FJCSMQRCMQVXIS-UHFFFAOYSA-N -2 0 391.392 3.948 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)cc1Cl ZINC000327691011 860565635 /nfs/dbraw/zinc/56/56/35/860565635.db2.gz SGNILHRCYBNFEO-UHFFFAOYSA-N -2 0 376.821 3.630 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)c1 ZINC000606827956 863862524 /nfs/dbraw/zinc/86/25/24/863862524.db2.gz DXTAJJJBECDMFE-UHFFFAOYSA-N -2 0 381.475 3.706 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000742230842 867146671 /nfs/dbraw/zinc/14/66/71/867146671.db2.gz AQUXAYRMQZVSQP-KTKRTIGZSA-N -2 0 399.827 3.989 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000540497401 871423498 /nfs/dbraw/zinc/42/34/98/871423498.db2.gz RSBKIFGATHVQFE-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cccc2)c(Cl)cc1F ZINC001194011033 871431810 /nfs/dbraw/zinc/43/18/10/871431810.db2.gz TUTVTKOILSDXTG-UHFFFAOYSA-N -2 0 394.811 3.769 20 0 GHADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cc1C ZINC000539399162 871897782 /nfs/dbraw/zinc/89/77/82/871897782.db2.gz QJPFCHZLIQRJAQ-VIFPVBQESA-N -2 0 385.873 3.623 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000547554255 872016319 /nfs/dbraw/zinc/01/63/19/872016319.db2.gz MGADTBCWJYDPMA-UHFFFAOYSA-N -2 0 389.351 3.701 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1C(C)C ZINC001195236153 872244532 /nfs/dbraw/zinc/24/45/32/872244532.db2.gz LCNVVMJRCNIOFA-UHFFFAOYSA-N -2 0 385.388 3.596 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(Cl)nccc3c2)c(F)cc1F ZINC001195237318 872244702 /nfs/dbraw/zinc/24/47/02/872244702.db2.gz BPLDQZCILZNNFB-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL CCCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC001196045339 872853538 /nfs/dbraw/zinc/85/35/38/872853538.db2.gz SFFCRASMWQTMMT-UHFFFAOYSA-N -2 0 398.278 3.901 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1Cl ZINC000769889927 874354328 /nfs/dbraw/zinc/35/43/28/874354328.db2.gz SEAYJMLJWMBARS-UHFFFAOYSA-N -2 0 394.207 3.646 20 0 GHADRL CC(C)(C)COc1c(F)cccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198790376 874611455 /nfs/dbraw/zinc/61/14/55/874611455.db2.gz VLEBQVFPOGYUEZ-UHFFFAOYSA-N -2 0 381.425 3.750 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cnn1CCC(C)C ZINC000491599009 875832041 /nfs/dbraw/zinc/83/20/41/875832041.db2.gz MWIJCOKQWCHBNH-UHFFFAOYSA-N -2 0 393.509 3.607 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000530957418 878800425 /nfs/dbraw/zinc/80/04/25/878800425.db2.gz PAFIWWJCIYHRGP-UHFFFAOYSA-N -2 0 388.470 3.872 20 0 GHADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461330787 879590751 /nfs/dbraw/zinc/59/07/51/879590751.db2.gz IQFJJCPDLZSZGG-UHFFFAOYSA-N -2 0 385.772 3.919 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1C ZINC000790420518 879702273 /nfs/dbraw/zinc/70/22/73/879702273.db2.gz QOSCKBDCSCHEGN-SNVBAGLBSA-N -2 0 385.873 3.623 20 0 GHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185292896 880533361 /nfs/dbraw/zinc/53/33/61/880533361.db2.gz YFQSVOWOFIKLAB-LLVKDONJSA-N -2 0 376.409 3.686 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(Cl)c1Cl ZINC000460459635 886753739 /nfs/dbraw/zinc/75/37/39/886753739.db2.gz NWMCTJZXPMLOER-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)C(F)(F)F)cc1 ZINC001184711076 913376340 /nfs/dbraw/zinc/37/63/40/913376340.db2.gz NPDPHNQHDDLKJY-HNNXBMFYSA-N -2 0 387.379 3.584 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)nn1C1CCCCC1 ZINC000571847834 891600408 /nfs/dbraw/zinc/60/04/08/891600408.db2.gz MRQLRGBXLZYPJE-UHFFFAOYSA-N -2 0 397.884 3.849 20 0 GHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C(=O)[O-])cc3cccnc32)c1 ZINC000821107121 897749873 /nfs/dbraw/zinc/74/98/73/897749873.db2.gz UVHCDPAVGLONGM-UHFFFAOYSA-N -2 0 393.424 3.590 20 0 GHADRL Cc1c(NS(=O)(=O)c2cccc3c2cccc3N(C)C)cccc1C(=O)[O-] ZINC000821173338 897778357 /nfs/dbraw/zinc/77/83/57/897778357.db2.gz OMSICLNGDYBQMK-UHFFFAOYSA-N -2 0 384.457 3.713 20 0 GHADRL Cc1[n-]n(-c2cccc(-c3ccc(OCC(C)C)nc3)c2)c(=O)c1CC(=O)[O-] ZINC000569259466 898478897 /nfs/dbraw/zinc/47/88/97/898478897.db2.gz BBCJSJJUQJLLKQ-GOSISDBHSA-N -2 0 381.432 3.597 20 0 GHADRL CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000573853591 900668452 /nfs/dbraw/zinc/66/84/52/900668452.db2.gz OCKKZERVNDAWPS-UHFFFAOYSA-N -2 0 375.855 3.688 20 0 GHADRL C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000578359231 903765539 /nfs/dbraw/zinc/76/55/39/903765539.db2.gz VUKIYMNVMCFBSY-SNVBAGLBSA-N -2 0 389.351 3.515 20 0 GHADRL COc1cc(Br)cc(F)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176245397 908004121 /nfs/dbraw/zinc/00/41/21/908004121.db2.gz ZCGGCVOVRCUBAW-UHFFFAOYSA-N -2 0 384.157 3.737 20 0 GHADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1 ZINC000901825141 921600949 /nfs/dbraw/zinc/60/09/49/921600949.db2.gz LDWRQPQRNSZHBK-UHFFFAOYSA-N -2 0 397.452 3.785 20 0 GHADRL Cc1nc2ccccc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187547993 915344997 /nfs/dbraw/zinc/34/49/97/915344997.db2.gz JZDDBXBGHNAMIS-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2[S-])c1 ZINC001187581590 915376111 /nfs/dbraw/zinc/37/61/11/915376111.db2.gz JNMRHCIHQLZLOI-UHFFFAOYSA-N -2 0 378.258 3.781 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nc2ccccc12 ZINC001188272266 915865849 /nfs/dbraw/zinc/86/58/49/915865849.db2.gz CTJICJSTRVKWSH-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3c(F)cccc3c2)ccc1Cl ZINC001188282444 915873492 /nfs/dbraw/zinc/87/34/92/915873492.db2.gz OLFOONMCPGBLTN-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccc(F)cc3c2)ccc1Cl ZINC001188282165 915874015 /nfs/dbraw/zinc/87/40/15/915874015.db2.gz JMBIYMYEHLRMSV-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL Nc1ccccc1N(C(=O)c1ccccc1OP(=O)([O-])[O-])c1ccccc1 ZINC001189886579 916991698 /nfs/dbraw/zinc/99/16/98/916991698.db2.gz IQCIAASJQAJFDV-UHFFFAOYSA-N -2 0 384.328 3.719 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)cc1 ZINC001192100071 918406480 /nfs/dbraw/zinc/40/64/80/918406480.db2.gz JTLRPWSZLADIQY-UHFFFAOYSA-N -2 0 391.342 3.663 20 0 GHADRL Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C2CCCCC2)n1 ZINC000296783357 918734611 /nfs/dbraw/zinc/73/46/11/918734611.db2.gz SFQRSJXYLLIFAX-UHFFFAOYSA-N -2 0 397.884 3.620 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(Cl)n1 ZINC000800837771 920511629 /nfs/dbraw/zinc/51/16/29/920511629.db2.gz YMGNWHBXNLNUCI-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749145768 924047808 /nfs/dbraw/zinc/04/78/08/924047808.db2.gz OAORYXXYLFRINL-UHFFFAOYSA-N -2 0 391.342 3.960 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)c1 ZINC000677123974 924248556 /nfs/dbraw/zinc/24/85/56/924248556.db2.gz LTXQVXTYXILOLR-UHFFFAOYSA-N -2 0 395.452 3.948 20 0 GHADRL CSc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000410400381 925615604 /nfs/dbraw/zinc/61/56/04/925615604.db2.gz IBMPIUQCWVQSMX-UHFFFAOYSA-N -2 0 381.475 3.695 20 0 GHADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-] ZINC000681561252 925851351 /nfs/dbraw/zinc/85/13/51/925851351.db2.gz CPYNULHWMAMIAC-UHFFFAOYSA-N -2 0 399.900 3.617 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc(C(F)(F)F)c1 ZINC000683071533 926350610 /nfs/dbraw/zinc/35/06/10/926350610.db2.gz JQGATIVXOZENOM-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1OC ZINC000753771703 929528514 /nfs/dbraw/zinc/52/85/14/929528514.db2.gz PQOUNLDWVUQVOI-UHFFFAOYSA-N -2 0 399.852 3.555 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1C(=O)[O-] ZINC000753772207 929528884 /nfs/dbraw/zinc/52/88/84/929528884.db2.gz XVAHNYTUMKEUNF-UHFFFAOYSA-N -2 0 392.452 3.623 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc3ccccc32)c(Cl)cc1F ZINC000759108237 930276355 /nfs/dbraw/zinc/27/63/55/930276355.db2.gz RDSMMJPHRQZUPE-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000759710123 930461651 /nfs/dbraw/zinc/46/16/51/930461651.db2.gz LPOUATUDWOPNLR-UHFFFAOYSA-N -2 0 390.848 3.823 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1)C(=O)[O-] ZINC000547330840 930923389 /nfs/dbraw/zinc/92/33/89/930923389.db2.gz HXNPDTDUEZAGLA-INIZCTEOSA-N -2 0 393.509 3.535 20 0 GHADRL CC1(C)CC(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC(C)(C)C1 ZINC000327066520 971362400 /nfs/dbraw/zinc/36/24/00/971362400.db2.gz PUEFDONUFQBPKA-UHFFFAOYSA-N -2 0 375.437 3.546 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc3ccccc32)c(F)cc1Cl ZINC001259212510 960663882 /nfs/dbraw/zinc/66/38/82/960663882.db2.gz PREHFDSVBPILSX-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c(F)cc1Cl ZINC001259219074 960677142 /nfs/dbraw/zinc/67/71/42/960677142.db2.gz QLARHLYXMDXABK-UHFFFAOYSA-N -2 0 396.783 3.633 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1C1CC1 ZINC001595026665 979136879 /nfs/dbraw/zinc/13/68/79/979136879.db2.gz JVZKKCSJCSSXNX-GXJZLWQJSA-N -2 0 389.477 3.630 20 0 GHADRL CCCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC001596074621 983388523 /nfs/dbraw/zinc/38/85/23/983388523.db2.gz FHMLAMJIXCQRFQ-UHFFFAOYSA-N -2 0 395.289 3.901 20 0 GHADRL CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001597025291 986431192 /nfs/dbraw/zinc/43/11/92/986431192.db2.gz INEYZVCLLAWULK-UHFFFAOYSA-N -2 0 395.367 3.814 20 0 GHADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC001597790694 989313885 /nfs/dbraw/zinc/31/38/85/989313885.db2.gz GZJPMRNQRHPJDD-UHFFFAOYSA-N -2 0 377.340 3.668 20 0 GHADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccccc2)c1 ZINC001597790718 989315380 /nfs/dbraw/zinc/31/53/80/989315380.db2.gz HJMRZSOHDNQOJB-UHFFFAOYSA-N -2 0 399.424 3.572 20 0 GHADRL CC(C)(C)c1ccc([C@@H]([N-]S(=O)(=O)C2(C(=O)[O-])CCC2)C(F)(F)F)cc1 ZINC001590479831 990056921 /nfs/dbraw/zinc/05/69/21/990056921.db2.gz IBKNHWAELDIKDD-CYBMUJFWSA-N -2 0 393.427 3.514 20 0 GHADRL C[C@@H](Oc1ccccc1CNc1ccc(S[C@@H](C)C(=O)[O-])cc1)C(=O)[O-] ZINC001593650487 996006171 /nfs/dbraw/zinc/00/61/71/996006171.db2.gz CBZUOIASSMGCPS-OLZOCXBDSA-N -2 0 375.446 3.716 20 0 GHADRL C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)c1c([O-])cccc1F ZINC001593719680 996245241 /nfs/dbraw/zinc/24/52/41/996245241.db2.gz DWCQWBOCDSKCTN-LBPRGKRZSA-N -2 0 384.363 3.621 20 0 GHADRL O=C([O-])c1c(F)cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cc1F ZINC001203328043 1027276597 /nfs/dbraw/zinc/27/65/97/1027276597.db2.gz OCQQOFHGTBOEHK-UHFFFAOYSA-N -2 0 379.340 3.807 20 0 GHADRL COc1ccc(C(OCCCC[P@@](=O)([O-])O)c2ccc(OC)cc2)cc1 ZINC001225019094 1031213777 /nfs/dbraw/zinc/21/37/77/1031213777.db2.gz QXGPCQABKVGNDR-UHFFFAOYSA-N -2 0 380.377 3.768 20 0 GHADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[S-])c1 ZINC001254425051 1040224001 /nfs/dbraw/zinc/22/40/01/1040224001.db2.gz JTZYPCNATUBWRZ-UHFFFAOYSA-N -2 0 393.408 3.812 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c3cccnc23)c(F)cc1Cl ZINC001259220345 1045018450 /nfs/dbraw/zinc/01/84/50/1045018450.db2.gz DMARMPOBPOUNTE-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL COc1ccc(CS(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2[O-])cc1 ZINC001259900486 1045332298 /nfs/dbraw/zinc/33/22/98/1045332298.db2.gz YBMNTKNLTVYXDM-UHFFFAOYSA-N -2 0 376.261 3.958 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccccc3Cl)no2)c1 ZINC001260209490 1045416199 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GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)s1 ZINC000740177108 600396552 /nfs/dbraw/zinc/39/65/52/600396552.db2.gz CNYCAIFOZORVRL-UHFFFAOYSA-N -2 0 397.421 3.743 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1OC(C)C ZINC000738347621 600482389 /nfs/dbraw/zinc/48/23/89/600482389.db2.gz PXOOJCMHEBRFRT-UHFFFAOYSA-N -2 0 383.853 3.935 20 0 GHADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000166568529 600637452 /nfs/dbraw/zinc/63/74/52/600637452.db2.gz UAZJRNNEUXQGGL-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1OC(C)C ZINC000738462681 600898146 /nfs/dbraw/zinc/89/81/46/600898146.db2.gz RMDQBEMTBKYQOP-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1 ZINC000740133740 601116859 /nfs/dbraw/zinc/11/68/59/601116859.db2.gz CGRDYHYUPBIVDS-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1C(=O)[O-] ZINC000833030458 601231751 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3.909 20 0 GHADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n[nH]1 ZINC000832975066 601604653 /nfs/dbraw/zinc/60/46/53/601604653.db2.gz XHAMBNUNEMJNFG-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL CCCCc1ccc2nc([N-]S(=O)(=O)c3csnc3C(=O)[O-])sc2c1 ZINC000829440426 601767377 /nfs/dbraw/zinc/76/73/77/601767377.db2.gz KPXPUZXNJWLNTP-UHFFFAOYSA-N -2 0 397.503 3.594 20 0 GHADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000727361569 601828360 /nfs/dbraw/zinc/82/83/60/601828360.db2.gz QGJJIDSUDDUNFR-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000746352606 601830043 /nfs/dbraw/zinc/83/00/43/601830043.db2.gz RCKMACOLRRJTIU-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000832953206 601831556 /nfs/dbraw/zinc/83/15/56/601831556.db2.gz CEWNTJLWAZIYAB-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cccnc32)c(Cl)cc1F ZINC000746351535 601832044 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20 0 GHADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000739922870 602652180 /nfs/dbraw/zinc/65/21/80/602652180.db2.gz FECSINIOAAFHFT-UHFFFAOYSA-N -2 0 390.339 3.605 20 0 GHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000467750096 604500941 /nfs/dbraw/zinc/50/09/41/604500941.db2.gz VFVKKYFQPHREHP-UHFFFAOYSA-N -2 0 393.339 3.505 20 0 GHADRL O=C([O-])c1cccc(NC2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])CC2)c1 ZINC000833332094 604782157 /nfs/dbraw/zinc/78/21/57/604782157.db2.gz MTXHUTHIDKJUNJ-UHFFFAOYSA-N -2 0 392.814 3.600 20 0 GHADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c1 ZINC000833296899 604801230 /nfs/dbraw/zinc/80/12/30/604801230.db2.gz DBOKXGAUDIDARD-UHFFFAOYSA-N -2 0 394.808 3.549 20 0 GHADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000547904208 837427677 /nfs/dbraw/zinc/42/76/77/837427677.db2.gz JROMSMVBCUAMOP-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL CCC(C)(C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC000094157423 834728510 /nfs/dbraw/zinc/72/85/10/834728510.db2.gz DPFRTUCDPVAJHB-UHFFFAOYSA-N -2 0 382.507 3.515 20 0 GHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000583908457 835238684 /nfs/dbraw/zinc/23/86/84/835238684.db2.gz FNVBTBXUHUEIRC-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000510118336 835409625 /nfs/dbraw/zinc/40/96/25/835409625.db2.gz SZOWSBJWDZLURJ-UHFFFAOYSA-N -2 0 399.472 3.803 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)sc1C(=O)[O-] ZINC000042792981 839162896 /nfs/dbraw/zinc/16/28/96/839162896.db2.gz PHFJQRHHLLEESA-UHFFFAOYSA-N -2 0 378.431 3.574 20 0 GHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000471567089 839422436 /nfs/dbraw/zinc/42/24/36/839422436.db2.gz SXCITZBPHZNNMB-UHFFFAOYSA-N -2 0 378.837 3.639 20 0 GHADRL Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000471580285 839614894 /nfs/dbraw/zinc/61/48/94/839614894.db2.gz HLBVGLWEKRRAKT-OAHLLOKOSA-N -2 0 399.472 3.608 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc(C(=O)[O-])c1Cl ZINC000190848685 841421623 /nfs/dbraw/zinc/42/16/23/841421623.db2.gz CBMJYECYKXCFNK-UHFFFAOYSA-N -2 0 378.837 3.639 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)c(C)c2)cc(C(=O)[O-])c1C ZINC000656637514 841633833 /nfs/dbraw/zinc/63/38/33/841633833.db2.gz JEHAZJKIVHTGRL-UHFFFAOYSA-N -2 0 388.367 3.525 20 0 GHADRL Cc1ccccc1CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000548264813 842334494 /nfs/dbraw/zinc/33/44/94/842334494.db2.gz XEYXLRDAUHPRTF-UHFFFAOYSA-N -2 0 389.351 3.534 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2sccc2Br)c(Cl)c1 ZINC000071392866 843701264 /nfs/dbraw/zinc/70/12/64/843701264.db2.gz GINQELKJYXTRPX-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL C[C@@H](Oc1ccc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1)C(=O)[O-] ZINC000504742244 850280163 /nfs/dbraw/zinc/28/01/63/850280163.db2.gz OXWRMLPAJWDKRS-BRADTZPFSA-N -2 0 390.395 3.864 20 0 GHADRL Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)n1 ZINC000489546491 852434186 /nfs/dbraw/zinc/43/41/86/852434186.db2.gz BTXGDRFJAOCBJO-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000517924117 852626031 /nfs/dbraw/zinc/62/60/31/852626031.db2.gz SELUMCVHCLAUTG-UHFFFAOYSA-N -2 0 393.461 3.716 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)sc1C(=O)[O-] ZINC000438720735 852776370 /nfs/dbraw/zinc/77/63/70/852776370.db2.gz BMFKEOSSGYTMAL-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1Cl ZINC000156300415 853489292 /nfs/dbraw/zinc/48/92/92/853489292.db2.gz VLPBJTFEJSKDTB-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc(F)c1F ZINC000164979006 854562744 /nfs/dbraw/zinc/56/27/44/854562744.db2.gz NCNPYGUAAWYSDY-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC000485395703 856456360 /nfs/dbraw/zinc/45/63/60/856456360.db2.gz HECPYIOKTKEQAK-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2[O-])no1 ZINC000507970854 856748929 /nfs/dbraw/zinc/74/89/29/856748929.db2.gz PDXUBGXCWQFJHD-UHFFFAOYSA-N -2 0 379.265 3.926 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1C ZINC000675282881 857134479 /nfs/dbraw/zinc/13/44/79/857134479.db2.gz RCQBMJDQTDGAOJ-UHFFFAOYSA-N -2 0 389.351 3.543 20 0 GHADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000184648989 858975191 /nfs/dbraw/zinc/97/51/91/858975191.db2.gz VRQQUNZFQLSPHI-LLVKDONJSA-N -2 0 387.379 3.769 20 0 GHADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000120322750 881379943 /nfs/dbraw/zinc/37/99/43/881379943.db2.gz XCSWLNDIQLLSGP-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL O=S(=O)([N-]c1cc(O)cc(F)c1)c1c(Cl)cccc1Br ZINC000509391809 859281753 /nfs/dbraw/zinc/28/17/53/859281753.db2.gz LUCCJQHUCVQXSO-UHFFFAOYSA-N -2 0 380.622 3.748 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2Br)cc(C(=O)[O-])c1 ZINC000507649824 859830118 /nfs/dbraw/zinc/83/01/18/859830118.db2.gz MZEBJCAIPCSPAL-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2csc3ccccc23)cc1Cl ZINC000484135917 859844874 /nfs/dbraw/zinc/84/48/74/859844874.db2.gz PVGUHBLPSJPXQT-UHFFFAOYSA-N -2 0 397.861 3.819 20 0 GHADRL O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC000567998991 863285708 /nfs/dbraw/zinc/28/57/08/863285708.db2.gz FQQCRADAOBSRIO-UHFFFAOYSA-N -2 0 388.272 3.618 20 0 GHADRL Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000607029152 864027680 /nfs/dbraw/zinc/02/76/80/864027680.db2.gz OUBYGMMPTKYXEF-UHFFFAOYSA-N -2 0 388.383 3.789 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1C(CC)CC ZINC000480203249 864256653 /nfs/dbraw/zinc/25/66/53/864256653.db2.gz VLIXZVWTHOMUEG-UHFFFAOYSA-N -2 0 397.472 3.753 20 0 GHADRL COc1ccc2nc(/C=C/c3cccc(O[C@H](C)C(=O)[O-])c3)cc(C(=O)[O-])c2c1 ZINC000607436296 864426979 /nfs/dbraw/zinc/42/69/79/864426979.db2.gz XOBGODILTBBABW-KTRBRXNASA-N -2 0 393.395 3.964 20 0 GHADRL COc1ccc2nc(/C=C\c3ccc(OCCC(=O)[O-])cc3)cc(C(=O)[O-])c2c1 ZINC000607435891 864427010 /nfs/dbraw/zinc/42/70/10/864427010.db2.gz BTCFGPRVOATMMR-DJWKRKHSSA-N -2 0 393.395 3.966 20 0 GHADRL COc1ccc2nc(/C=C/c3ccc(OCCC(=O)[O-])cc3)cc(C(=O)[O-])c2c1 ZINC000607435896 864427154 /nfs/dbraw/zinc/42/71/54/864427154.db2.gz BTCFGPRVOATMMR-GORDUTHDSA-N -2 0 393.395 3.966 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000446611814 870090791 /nfs/dbraw/zinc/09/07/91/870090791.db2.gz AISVVGUKLDQCAA-UHFFFAOYSA-N -2 0 397.474 3.551 20 0 GHADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000446626994 870143965 /nfs/dbraw/zinc/14/39/65/870143965.db2.gz YYYQPEVLCKXXRL-UHFFFAOYSA-N -2 0 381.475 3.533 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000462100125 871592907 /nfs/dbraw/zinc/59/29/07/871592907.db2.gz GGSHXXDIMSNQLL-UHFFFAOYSA-N -2 0 387.816 3.685 20 0 GHADRL Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195185200 872211470 /nfs/dbraw/zinc/21/14/70/872211470.db2.gz LDKVJUYOTNEAIW-UHFFFAOYSA-N -2 0 377.368 3.925 20 0 GHADRL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1 ZINC001196060955 872833749 /nfs/dbraw/zinc/83/37/49/872833749.db2.gz SWBQJVOPFFDVOQ-UHFFFAOYSA-N -2 0 382.441 3.864 20 0 GHADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cn1 ZINC001196068620 872859611 /nfs/dbraw/zinc/85/96/11/872859611.db2.gz UYUUNYYAPGMVDB-UHFFFAOYSA-N -2 0 399.472 3.804 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cc(F)nc(F)c3)cc2)c1 ZINC001196075917 872865518 /nfs/dbraw/zinc/86/55/18/872865518.db2.gz XROVHBCEJCAJDU-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1O ZINC001196090280 872872763 /nfs/dbraw/zinc/87/27/63/872872763.db2.gz OMAWXKPCUUVLQR-UHFFFAOYSA-N -2 0 383.425 3.867 20 0 GHADRL CCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC000464541516 874063758 /nfs/dbraw/zinc/06/37/58/874063758.db2.gz UHSYAJVRZABRBP-UHFFFAOYSA-N -2 0 396.273 3.953 20 0 GHADRL CCOC(=O)c1c(C(C)C)csc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198740306 874591442 /nfs/dbraw/zinc/59/14/42/874591442.db2.gz CMVHSZSAWPZUCF-UHFFFAOYSA-N -2 0 397.474 3.547 20 0 GHADRL CC(C)(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198746674 874595516 /nfs/dbraw/zinc/59/55/16/874595516.db2.gz IEVYSJMSBUKRNZ-UHFFFAOYSA-N -2 0 399.472 3.804 20 0 GHADRL O=c1nc2[n-]c([O-])nc(Nc3cccc(-c4nc5ccccc5s4)c3)c-2[nH]1 ZINC001170217465 881221607 /nfs/dbraw/zinc/22/16/07/881221607.db2.gz IIICTGUPEPFFEY-UHFFFAOYSA-N -2 0 376.401 3.736 20 0 GHADRL Cc1c(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c2ccccc2n1C ZINC000551107112 883291429 /nfs/dbraw/zinc/29/14/29/883291429.db2.gz KUDVEGOWGAIKHA-CYBMUJFWSA-N -2 0 386.473 3.866 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000551118868 883312617 /nfs/dbraw/zinc/31/26/17/883312617.db2.gz WMMWQJCZDQXTHG-UHFFFAOYSA-N -2 0 390.486 3.708 20 0 GHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000393008214 884187691 /nfs/dbraw/zinc/18/76/91/884187691.db2.gz DURMQJIPCARYPU-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000476396172 885519354 /nfs/dbraw/zinc/51/93/54/885519354.db2.gz ZCILVKKXCYXLJC-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cnc1Cl ZINC000120321570 888126591 /nfs/dbraw/zinc/12/65/91/888126591.db2.gz CXZMXZNEZAXCTH-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000326659153 888537883 /nfs/dbraw/zinc/53/78/83/888537883.db2.gz DMVBDMAFVTWEDC-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000747618345 888702039 /nfs/dbraw/zinc/70/20/39/888702039.db2.gz RDZWEZBAAOWYCH-UHFFFAOYSA-N -2 0 375.830 3.700 20 0 GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000126573846 890597666 /nfs/dbraw/zinc/59/76/66/890597666.db2.gz NNHYIOUCTOYAEJ-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc3ccccc3o2)ccc1Br ZINC000161741636 891806448 /nfs/dbraw/zinc/80/64/48/891806448.db2.gz CMGUOOIENHICDG-UHFFFAOYSA-N -2 0 396.218 3.694 20 0 GHADRL CCSc1cccc(F)c1[N-]C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000875746487 892784161 /nfs/dbraw/zinc/78/41/61/892784161.db2.gz HGTNEHBAARVELI-UHFFFAOYSA-N -2 0 390.358 3.962 20 0 GHADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000498006485 892974876 /nfs/dbraw/zinc/97/48/76/892974876.db2.gz ANIXQIWOAYNDPI-UHFFFAOYSA-N -2 0 383.853 3.935 20 0 GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000126472845 893566303 /nfs/dbraw/zinc/56/63/03/893566303.db2.gz WMTGURXJGRMVKJ-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000778567656 896829855 /nfs/dbraw/zinc/82/98/55/896829855.db2.gz XYRBOKQCVPIDOZ-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2)ccn1 ZINC001185871276 914132258 /nfs/dbraw/zinc/13/22/58/914132258.db2.gz OCDAKBYSRPFZAC-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL CCC(CC)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186192889 914353640 /nfs/dbraw/zinc/35/36/40/914353640.db2.gz DTHANRYPHKQHND-UHFFFAOYSA-N -2 0 381.425 3.892 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2SC(F)F)sc1C(=O)[O-] ZINC000045946636 900550769 /nfs/dbraw/zinc/55/07/69/900550769.db2.gz YQBULAIUYVKFLU-UHFFFAOYSA-N -2 0 379.431 3.870 20 0 GHADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c(C)c1C ZINC000575830761 901352564 /nfs/dbraw/zinc/35/25/64/901352564.db2.gz UYINXDDSDBIQHR-UHFFFAOYSA-N -2 0 381.425 3.567 20 0 GHADRL Cc1c(I)cccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176242325 908001158 /nfs/dbraw/zinc/00/11/58/908001158.db2.gz UVKTZMRFCAIYGM-UHFFFAOYSA-N -2 0 397.168 3.740 20 0 GHADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000795389783 910156403 /nfs/dbraw/zinc/15/64/03/910156403.db2.gz YWLJYXIHEIOBNW-UHFFFAOYSA-N -2 0 396.396 3.587 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnc3cc(F)ccc3c2)c1 ZINC001187553291 915349164 /nfs/dbraw/zinc/34/91/64/915349164.db2.gz NHOUSTKSIWKQAI-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c3cnccc23)c1 ZINC001187589268 915353012 /nfs/dbraw/zinc/35/30/12/915353012.db2.gz HTHGXYUPELCRAJ-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cc(Br)cc(F)c1[O-] ZINC001189315819 916546563 /nfs/dbraw/zinc/54/65/63/916546563.db2.gz DQXJBHSTFQTYQU-UHFFFAOYSA-N -2 0 396.184 3.514 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)nc2)cc1 ZINC001192106523 918412444 /nfs/dbraw/zinc/41/24/44/918412444.db2.gz HUTSPIKPAKECEP-UHFFFAOYSA-N -2 0 382.441 3.567 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnc3c(Cl)cccc3c2)cc1 ZINC001192113428 918418556 /nfs/dbraw/zinc/41/85/56/918418556.db2.gz MCFUIYRBOBWEIM-UHFFFAOYSA-N -2 0 390.848 3.706 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc(C)c1F ZINC000410398824 925616573 /nfs/dbraw/zinc/61/65/73/925616573.db2.gz RXXSSSBQTZGFQV-UHFFFAOYSA-N -2 0 381.425 3.729 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccnc2)ccc1C ZINC000373510424 926208672 /nfs/dbraw/zinc/20/86/72/926208672.db2.gz UMBMFLFUBVVMKM-UHFFFAOYSA-N -2 0 398.440 3.565 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000467753408 929376224 /nfs/dbraw/zinc/37/62/24/929376224.db2.gz PJJGTDSQEYPIHX-UHFFFAOYSA-N -2 0 383.397 3.548 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000753769463 929526407 /nfs/dbraw/zinc/52/64/07/929526407.db2.gz KPNSBAKNBHRKCG-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000758149786 929947918 /nfs/dbraw/zinc/94/79/18/929947918.db2.gz ZKOMYTIVBQSAGU-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)c2)n1 ZINC000758452428 930050871 /nfs/dbraw/zinc/05/08/71/930050871.db2.gz QMBHBAWCCRKEAM-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)ccc2s1 ZINC000781117061 930705884 /nfs/dbraw/zinc/70/58/84/930705884.db2.gz LKGURJVKUYMUKZ-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc2ccccc21 ZINC000782259315 931144384 /nfs/dbraw/zinc/14/43/84/931144384.db2.gz QANGBFQMPGWVIO-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1)C(=O)[O-] ZINC000547612482 931148063 /nfs/dbraw/zinc/14/80/63/931148063.db2.gz NJTVIAXMJDBMMH-ZDUSSCGKSA-N -2 0 392.864 3.666 20 0 GHADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc(-c3ccco3)cc2F)c1 ZINC000782541953 931262912 /nfs/dbraw/zinc/26/29/12/931262912.db2.gz PNRMKGWGQACWRQ-UHFFFAOYSA-N -2 0 397.330 3.863 20 0 GHADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NC3(C(=O)[O-])CCCCCC3)n2)cc1 ZINC001573567456 959295824 /nfs/dbraw/zinc/29/58/24/959295824.db2.gz 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ZINC000462102359 601987696 /nfs/dbraw/zinc/98/76/96/601987696.db2.gz MUBLAZNOROQNPB-UHFFFAOYSA-N -2 0 393.770 3.787 20 0 GHADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000833317731 602308664 /nfs/dbraw/zinc/30/86/64/602308664.db2.gz DBNPUWBRULFZPD-UHFFFAOYSA-N -2 0 383.857 3.610 20 0 GHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000830049483 602309327 /nfs/dbraw/zinc/30/93/27/602309327.db2.gz DIBSAQISVWCNJI-UHFFFAOYSA-N -2 0 390.244 3.891 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c(Cl)c1Cl ZINC000829510807 603241843 /nfs/dbraw/zinc/24/18/43/603241843.db2.gz OQJXFWKGALHQLS-UHFFFAOYSA-N -2 0 391.232 3.893 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC2CCCC2)s1 ZINC000833323401 604400065 /nfs/dbraw/zinc/40/00/65/604400065.db2.gz KYDIDKNAYUYOHK-UHFFFAOYSA-N -2 0 385.438 3.708 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)c(Cl)c1 ZINC000832956033 604809487 /nfs/dbraw/zinc/80/94/87/604809487.db2.gz VTULAQNPZKDKDN-UHFFFAOYSA-N -2 0 390.244 3.566 20 0 GHADRL C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000825832241 605354516 /nfs/dbraw/zinc/35/45/16/605354516.db2.gz RNLXNDHNFVLOPO-SWLSCSKDSA-N -2 0 388.851 3.973 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c(Br)c1 ZINC000547914882 837504390 /nfs/dbraw/zinc/50/43/90/837504390.db2.gz QBBHBAAOLBZCJK-UHFFFAOYSA-N -2 0 396.218 3.694 20 0 GHADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000650092531 834363192 /nfs/dbraw/zinc/36/31/92/834363192.db2.gz FGRVTHQKXKBNEJ-UHFFFAOYSA-N -2 0 397.408 3.551 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178121045 836327689 /nfs/dbraw/zinc/32/76/89/836327689.db2.gz NCEGMUSOQOTBCT-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)cc1)C(=O)[O-] ZINC000547956100 837891867 /nfs/dbraw/zinc/89/18/67/837891867.db2.gz RMGLFMLCMMIIMR-INIZCTEOSA-N -2 0 398.484 3.997 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cc1O ZINC000683650545 838171966 /nfs/dbraw/zinc/17/19/66/838171966.db2.gz YDUIVQRLDKJWIF-UHFFFAOYSA-N -2 0 383.491 3.867 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000462106905 838175472 /nfs/dbraw/zinc/17/54/72/838175472.db2.gz ZGNRVHIZCBHIAZ-UHFFFAOYSA-N -2 0 391.779 3.516 20 0 GHADRL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C)C1CCCCC1 ZINC000656630007 841616796 /nfs/dbraw/zinc/61/67/96/841616796.db2.gz SERIHIULQJCIDL-KRWDZBQOSA-N -2 0 399.509 3.509 20 0 GHADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)s1 ZINC000548593759 845716344 /nfs/dbraw/zinc/71/63/44/845716344.db2.gz LWSFABZLQODKAQ-UHFFFAOYSA-N -2 0 375.418 3.823 20 0 GHADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2csc3ccccc32)cc1 ZINC000504524975 850118968 /nfs/dbraw/zinc/11/89/68/850118968.db2.gz TYIUBUIIHMBCGY-UHFFFAOYSA-N -2 0 377.443 3.556 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1F ZINC000504657749 850203369 /nfs/dbraw/zinc/20/33/69/850203369.db2.gz HYYHFTHTVQNOLX-JTQLQIEISA-N -2 0 387.429 3.639 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cccc1C(=O)[O-] ZINC000435476685 850578887 /nfs/dbraw/zinc/57/88/87/850578887.db2.gz IKACIRXNRXBNQA-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL CC(C)Cc1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000436890595 852464579 /nfs/dbraw/zinc/46/45/79/852464579.db2.gz FUDXYGMQFJHMTH-UHFFFAOYSA-N -2 0 379.463 3.503 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nccs2)c1 ZINC000509581618 853032235 /nfs/dbraw/zinc/03/22/35/853032235.db2.gz DCOHWIXOEXCWMH-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000519616385 853181035 /nfs/dbraw/zinc/18/10/35/853181035.db2.gz FUHFLASRINNMLO-UHFFFAOYSA-N -2 0 379.381 3.828 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)cc1C(=O)[O-] ZINC000441359923 854131351 /nfs/dbraw/zinc/13/13/51/854131351.db2.gz VMCIVZPPQBCBBJ-UHFFFAOYSA-N -2 0 377.462 3.751 20 0 GHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cs1 ZINC000189725735 855185333 /nfs/dbraw/zinc/18/53/33/855185333.db2.gz YVXFKHCZIABUAX-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC000589938640 855213371 /nfs/dbraw/zinc/21/33/71/855213371.db2.gz SBJMNTNCYCPCTR-UHFFFAOYSA-N -2 0 393.461 3.682 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3scnc3c2)c1Cl ZINC000178955578 855532954 /nfs/dbraw/zinc/53/29/54/855532954.db2.gz GTSPNOFALGENJQ-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2OCCc2ccccc2)c1 ZINC000032631555 856245336 /nfs/dbraw/zinc/24/53/36/856245336.db2.gz XNGPHOXTYCUULM-UHFFFAOYSA-N -2 0 397.452 3.807 20 0 GHADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485255477 856285676 /nfs/dbraw/zinc/28/56/76/856285676.db2.gz BCRGVRKWWWNDLJ-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)c(Cl)cc1C(=O)[O-] ZINC000485273207 856286785 /nfs/dbraw/zinc/28/67/85/856286785.db2.gz JYABYECAFVJRIS-JTQLQIEISA-N -2 0 399.852 3.555 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(Cl)cc1C(=O)[O-] ZINC000485280092 856317070 /nfs/dbraw/zinc/31/70/70/856317070.db2.gz UVIXWQFDPGYCQQ-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)sc1C(=O)[O-] ZINC000042795257 856435909 /nfs/dbraw/zinc/43/59/09/856435909.db2.gz WBTXRVKSWPBWOO-UHFFFAOYSA-N -2 0 389.882 3.996 20 0 GHADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000067124884 858441362 /nfs/dbraw/zinc/44/13/62/858441362.db2.gz IQFSISDJUJQLEX-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2nn(C3CCCCC3)cc2C)cc1C(=O)[O-] ZINC000543166434 858722942 /nfs/dbraw/zinc/72/29/42/858722942.db2.gz RDENBPCTFCRGRL-UHFFFAOYSA-N -2 0 391.493 3.758 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cl)cc(C(F)(F)F)c1 ZINC000052471745 859535168 /nfs/dbraw/zinc/53/51/68/859535168.db2.gz RTILRFUMSJMCHE-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000386094924 860021766 /nfs/dbraw/zinc/02/17/66/860021766.db2.gz NDUICUGCNPABFY-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000484931074 860494027 /nfs/dbraw/zinc/49/40/27/860494027.db2.gz BVHSPGBLIGMHIZ-UHFFFAOYSA-N -2 0 391.392 3.926 20 0 GHADRL Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000607028199 864027089 /nfs/dbraw/zinc/02/70/89/864027089.db2.gz DVWNEUZPYQLCND-UHFFFAOYSA-N -2 0 388.383 3.789 20 0 GHADRL Cc1ccc(-n2ncc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)c2C(C)C)cc1 ZINC000480193822 864217661 /nfs/dbraw/zinc/21/76/61/864217661.db2.gz FQQJXTBBDKJFLQ-UHFFFAOYSA-N -2 0 399.472 3.803 20 0 GHADRL COc1ccc2nc(/C=C\c3cccc(O[C@H](C)C(=O)[O-])c3)cc(C(=O)[O-])c2c1 ZINC000607436293 864427185 /nfs/dbraw/zinc/42/71/85/864427185.db2.gz XOBGODILTBBABW-FMFIFOJESA-N -2 0 393.395 3.964 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000184530971 864637557 /nfs/dbraw/zinc/63/75/57/864637557.db2.gz MTIBLKUXBBKLNG-UHFFFAOYSA-N -2 0 377.205 3.716 20 0 GHADRL O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1 ZINC000184535812 864651028 /nfs/dbraw/zinc/65/10/28/864651028.db2.gz XHSGQUVFVJUKNA-UHFFFAOYSA-N -2 0 381.168 3.547 20 0 GHADRL CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000629313814 865446274 /nfs/dbraw/zinc/44/62/74/865446274.db2.gz HIAUOKOFVNMNHR-UHFFFAOYSA-N -2 0 396.490 3.503 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)cc1C(=O)[O-] ZINC000479535029 867961699 /nfs/dbraw/zinc/96/16/99/867961699.db2.gz YWRVDQLHXNEWMU-UHFFFAOYSA-N -2 0 377.462 3.751 20 0 GHADRL CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000525008241 869877736 /nfs/dbraw/zinc/87/77/36/869877736.db2.gz WVNMVABXKSRLKF-UHFFFAOYSA-N -2 0 388.898 3.678 20 0 GHADRL CC(C)CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000745977838 869923251 /nfs/dbraw/zinc/92/32/51/869923251.db2.gz BQHSLOVEZKDBOK-UHFFFAOYSA-N -2 0 381.425 3.750 20 0 GHADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)oc1C ZINC000745978137 869924317 /nfs/dbraw/zinc/92/43/17/869924317.db2.gz NEEBOQGIESPGTC-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cc1 ZINC000446619410 870104586 /nfs/dbraw/zinc/10/45/86/870104586.db2.gz FODMGXONKFRPPG-UHFFFAOYSA-N -2 0 381.475 3.747 20 0 GHADRL COc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192398286 870368572 /nfs/dbraw/zinc/36/85/72/870368572.db2.gz NCGTWKXIGNBZTL-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3occc3c2)c(Cl)cc1Cl ZINC001192409479 870380928 /nfs/dbraw/zinc/38/09/28/870380928.db2.gz LPQASHIWMIUSCT-UHFFFAOYSA-N -2 0 387.200 3.634 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)cc1C(=O)[O-] ZINC001192608821 870540789 /nfs/dbraw/zinc/54/07/89/870540789.db2.gz MKBHOQPOEZRINT-UHFFFAOYSA-N -2 0 398.440 3.646 20 0 GHADRL COc1ccc2nc(/C=C/c3ccc(OCC(=O)[O-])cc3)cc(C(=O)[O-])c2c1 ZINC000525560403 870932766 /nfs/dbraw/zinc/93/27/66/870932766.db2.gz TXYAGFYHNWWYKE-GORDUTHDSA-N -2 0 379.368 3.575 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3ccccc3s2)c(Cl)cc1F ZINC001193966003 871406717 /nfs/dbraw/zinc/40/67/17/871406717.db2.gz YTBHEWNNDPLTCY-UHFFFAOYSA-N -2 0 386.813 3.588 20 0 GHADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463790400 872565084 /nfs/dbraw/zinc/56/50/84/872565084.db2.gz NQPKZICYUPRMKJ-UHFFFAOYSA-N -2 0 398.843 3.578 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1)C(=O)[O-] ZINC000463790308 872565460 /nfs/dbraw/zinc/56/54/60/872565460.db2.gz TTWMDZXNKYHIKQ-LBPRGKRZSA-N -2 0 385.844 3.933 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3O)cc2)c1 ZINC001196089804 872872831 /nfs/dbraw/zinc/87/28/31/872872831.db2.gz NGYKEONEUOXYQQ-UHFFFAOYSA-N -2 0 387.388 3.697 20 0 GHADRL CCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1Cl ZINC000464541328 874063774 /nfs/dbraw/zinc/06/37/74/874063774.db2.gz RXFCOCCZIZCFIB-UHFFFAOYSA-N -2 0 394.232 3.793 20 0 GHADRL Cc1ccc(NC(=S)Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)cc1 ZINC001197928504 874115923 /nfs/dbraw/zinc/11/59/23/874115923.db2.gz ZVKJWCYOAYNANC-UHFFFAOYSA-N -2 0 388.470 3.909 20 0 GHADRL CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000541806863 874324901 /nfs/dbraw/zinc/32/49/01/874324901.db2.gz WEUOYCZLPNUTQA-UHFFFAOYSA-N -2 0 381.450 3.792 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COc2ccccc2)cc1 ZINC000538014423 878712790 /nfs/dbraw/zinc/71/27/90/878712790.db2.gz YFSUXAPJCRHCBK-UHFFFAOYSA-N -2 0 387.413 3.666 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC000790388343 879659688 /nfs/dbraw/zinc/65/96/88/879659688.db2.gz FAFGIGWPKKLKPM-UHFFFAOYSA-N -2 0 391.779 3.785 20 0 GHADRL Cc1c(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c2ccccc2n1C ZINC000556350209 884557362 /nfs/dbraw/zinc/55/73/62/884557362.db2.gz VTHRLLJMNXPQOY-UHFFFAOYSA-N -2 0 386.473 3.695 20 0 GHADRL Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)c(F)c2)cc1C(=O)[O-] ZINC001184654359 913344511 /nfs/dbraw/zinc/34/45/11/913344511.db2.gz XUZMHDLNVCWREZ-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001184663010 913351766 /nfs/dbraw/zinc/35/17/66/913351766.db2.gz GNBYCJLARBHXQY-UHFFFAOYSA-N -2 0 397.474 3.511 20 0 GHADRL CCc1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cc1C ZINC000536699234 893571386 /nfs/dbraw/zinc/57/13/86/893571386.db2.gz YQFZQCODCCZBMZ-UHFFFAOYSA-N -2 0 383.853 3.718 20 0 GHADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000126787062 893886304 /nfs/dbraw/zinc/88/63/04/893886304.db2.gz GLNRFIRDTXHGIY-UHFFFAOYSA-N -2 0 391.232 3.666 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1C(F)(F)F ZINC001185909389 914168519 /nfs/dbraw/zinc/16/85/19/914168519.db2.gz UTEXIKXQHJPYPM-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2c(Cl)cccc2c1 ZINC001185877419 914171480 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CC1=C(C(=O)[O-])[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736745704 599988693 /nfs/dbraw/zinc/98/86/93/599988693.db2.gz JSMIFZOBTOCQQF-SFHVURJKSA-N -2 0 388.464 3.664 20 0 GHADRL CCC1=C(C(=O)[O-])[C@H](c2ccc(F)cc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736932975 600005053 /nfs/dbraw/zinc/00/50/53/600005053.db2.gz XRQADZHZUYMKHK-SFHVURJKSA-N -2 0 398.390 3.539 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000219253875 600051182 /nfs/dbraw/zinc/05/11/82/600051182.db2.gz YAVHTHIUMHLDDX-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000738363222 600054921 /nfs/dbraw/zinc/05/49/21/600054921.db2.gz FWNUHURAJNSQRF-UHFFFAOYSA-N -2 0 398.409 3.562 20 0 GHADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000736999974 600233380 /nfs/dbraw/zinc/23/33/80/600233380.db2.gz PNQPLNBSVPQHQA-UHFFFAOYSA-N -2 0 385.388 3.643 20 0 GHADRL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000738113667 600236490 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0 GHADRL O=C([O-])C[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccc(Cl)c1 ZINC000833199932 600979842 /nfs/dbraw/zinc/97/98/42/600979842.db2.gz DETYLDYWTVKMJV-ZDUSSCGKSA-N -2 0 376.821 3.716 20 0 GHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)s1 ZINC000460822570 601046712 /nfs/dbraw/zinc/04/67/12/601046712.db2.gz GKJITFADLSCVAP-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(Cl)c1Cl ZINC000460830152 601048008 /nfs/dbraw/zinc/04/80/08/601048008.db2.gz QWKVOITWKDEXGI-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000831946758 601150385 /nfs/dbraw/zinc/15/03/85/601150385.db2.gz YHFVBKNEGQJHKD-UHFFFAOYSA-N -2 0 389.454 3.508 20 0 GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)c(C(F)(F)F)c1 ZINC000831946804 601150487 /nfs/dbraw/zinc/15/04/87/601150487.db2.gz YTBLNHAOIFWUFF-UHFFFAOYSA-N -2 0 395.380 3.583 20 0 GHADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1 ZINC000832780955 601360477 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GHADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000122529121 602118309 /nfs/dbraw/zinc/11/83/09/602118309.db2.gz OQWAHXOLVCIDBB-UHFFFAOYSA-N -2 0 388.898 3.802 20 0 GHADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc12 ZINC000833258973 602124954 /nfs/dbraw/zinc/12/49/54/602124954.db2.gz DXFXALAYCMFWJN-UHFFFAOYSA-N -2 0 397.861 3.819 20 0 GHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000830049548 602309363 /nfs/dbraw/zinc/30/93/63/602309363.db2.gz GRIXNWHRGVOSRV-UHFFFAOYSA-N -2 0 391.779 3.516 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(Cl)c1Cl ZINC000738063708 602818639 /nfs/dbraw/zinc/81/86/39/602818639.db2.gz GSHGKLIWRCPTGK-UHFFFAOYSA-N -2 0 391.232 3.893 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)cs1 ZINC000833306050 604405267 /nfs/dbraw/zinc/40/52/67/604405267.db2.gz XKWFEFHAMZDDTA-UHFFFAOYSA-N -2 0 399.453 3.586 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cs1 ZINC000435146841 605009614 /nfs/dbraw/zinc/00/96/14/605009614.db2.gz QEYPWGROKYBZQI-UHFFFAOYSA-N -2 0 392.483 3.793 20 0 GHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000531582752 844116996 /nfs/dbraw/zinc/11/69/96/844116996.db2.gz RUJJSUKMGNDJNL-UHFFFAOYSA-N -2 0 375.855 3.608 20 0 GHADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000328369299 836300300 /nfs/dbraw/zinc/30/03/00/836300300.db2.gz JXPSLJGUHWDPKL-LLVKDONJSA-N -2 0 383.853 3.728 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1C ZINC000013264826 838032452 /nfs/dbraw/zinc/03/24/52/838032452.db2.gz XNWLFBYQKUFSML-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000548207382 842164587 /nfs/dbraw/zinc/16/45/87/842164587.db2.gz JOSPWJOZTOVWJH-UHFFFAOYSA-N -2 0 395.305 3.791 20 0 GHADRL Cc1cc(Br)cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000188425922 842947579 /nfs/dbraw/zinc/94/75/79/842947579.db2.gz IIKMBRJWVPVRTR-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)c1 ZINC000512729123 845225598 /nfs/dbraw/zinc/22/55/98/845225598.db2.gz JTGDDHNZLURJGJ-UHFFFAOYSA-N -2 0 381.425 3.810 20 0 GHADRL Cc1ccsc1S(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000560012508 847207389 /nfs/dbraw/zinc/20/73/89/847207389.db2.gz WBRZNQFNCUUNSN-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000511182345 848064895 /nfs/dbraw/zinc/06/48/95/848064895.db2.gz ITBJOLZDITXYJU-UHFFFAOYSA-N -2 0 398.440 3.935 20 0 GHADRL O=C([O-])c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000511226367 848918526 /nfs/dbraw/zinc/91/85/26/848918526.db2.gz ZKKXTJLGAGKMKR-UHFFFAOYSA-N -2 0 399.453 3.790 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)ccc1C(=O)[O-] ZINC000506619035 850142438 /nfs/dbraw/zinc/14/24/38/850142438.db2.gz PEKKFOXWDOQWSM-UHFFFAOYSA-N -2 0 375.446 3.815 20 0 GHADRL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC000504592254 850178768 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O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc(Cl)c1Cl ZINC000058488649 856898655 /nfs/dbraw/zinc/89/86/55/856898655.db2.gz LXRKXPUBAAVUIP-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1O ZINC000542935152 856947239 /nfs/dbraw/zinc/94/72/39/856947239.db2.gz FQBQIPWZPBHJPG-UHFFFAOYSA-N -2 0 397.880 3.707 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c(Cl)c1 ZINC000486090046 857416291 /nfs/dbraw/zinc/41/62/91/857416291.db2.gz CTICBAWFQIUHMN-UHFFFAOYSA-N -2 0 393.848 3.822 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(OC(F)(F)F)c1 ZINC000486096629 857424763 /nfs/dbraw/zinc/42/47/63/857424763.db2.gz PZIHVYOZFODGJT-UHFFFAOYSA-N -2 0 395.742 3.738 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1C(F)(F)F ZINC000120318055 881530564 /nfs/dbraw/zinc/53/05/64/881530564.db2.gz XPKQRHDGVNFXAE-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc(C(=O)[O-])c1Cl ZINC000761290696 860614743 /nfs/dbraw/zinc/61/47/43/860614743.db2.gz QMURSMMVCCXDQO-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000509090616 860946520 /nfs/dbraw/zinc/94/65/20/860946520.db2.gz RTSDOTILASMRHS-UHFFFAOYSA-N -2 0 386.429 3.523 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000324583419 863785304 /nfs/dbraw/zinc/78/53/04/863785304.db2.gz OOBCGOANMNFSJX-UHFFFAOYSA-N -2 0 397.808 3.810 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C(C)C ZINC000480208434 864266166 /nfs/dbraw/zinc/26/61/66/864266166.db2.gz JCZHUORHAXKQSV-UHFFFAOYSA-N -2 0 379.482 3.614 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1C ZINC000607881686 864788676 /nfs/dbraw/zinc/78/86/76/864788676.db2.gz APMMQHRHLUHRIZ-UHFFFAOYSA-N -2 0 389.351 3.543 20 0 GHADRL CC(C)c1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c(C(=O)[O-])c1 ZINC000736515084 865226943 /nfs/dbraw/zinc/22/69/43/865226943.db2.gz GALVWPKFLDDLME-UHFFFAOYSA-N -2 0 399.881 3.672 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1ccccc1C ZINC000189457317 881868146 /nfs/dbraw/zinc/86/81/46/881868146.db2.gz CBYQVTQQFYGCGH-UHFFFAOYSA-N -2 0 399.472 3.551 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc1 ZINC000534331954 866576373 /nfs/dbraw/zinc/57/63/73/866576373.db2.gz XVHYNTRXAGFWJK-UHFFFAOYSA-N -2 0 388.470 3.628 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC000524549857 869241569 /nfs/dbraw/zinc/24/15/69/869241569.db2.gz SOHGKODWMZBARD-UHFFFAOYSA-N -2 0 381.425 3.810 20 0 GHADRL CC(C)Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)on1 ZINC001192400428 870370896 /nfs/dbraw/zinc/37/08/96/870370896.db2.gz ABRCGZCLJWJUKU-UHFFFAOYSA-N -2 0 393.248 3.679 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)sc1Br ZINC000149466854 871175814 /nfs/dbraw/zinc/17/58/14/871175814.db2.gz NCYXTQCAYWISKB-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccc(O)cc3c2)c(Cl)cc1F ZINC001194010512 871429905 /nfs/dbraw/zinc/42/99/05/871429905.db2.gz JXJVVIJMBVRCAL-UHFFFAOYSA-N -2 0 395.795 3.837 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3cc(F)ccc3c2)c(F)cc1F ZINC001195236208 872245131 /nfs/dbraw/zinc/24/51/31/872245131.db2.gz OIFUMMRNYWKALP-UHFFFAOYSA-N -2 0 381.331 3.756 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1)C(=O)[O-] ZINC000463775653 872548801 /nfs/dbraw/zinc/54/88/01/872548801.db2.gz CWDZXEXGPBNPOZ-ZDUSSCGKSA-N -2 0 383.416 3.727 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1)C(=O)[O-] ZINC000463786500 872604073 /nfs/dbraw/zinc/60/40/73/872604073.db2.gz ZKHZTBJDQSNDOG-LBPRGKRZSA-N -2 0 385.844 3.933 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)cc1)C(=O)[O-] ZINC000463786765 872604247 /nfs/dbraw/zinc/60/42/47/872604247.db2.gz CZRQCROYPCSJKY-ZDUSSCGKSA-N -2 0 397.880 3.803 20 0 GHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767736622 872797896 /nfs/dbraw/zinc/79/78/96/872797896.db2.gz LJOKPOZVVOTGAD-UHFFFAOYSA-N -2 0 387.816 3.685 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc1C(=O)[O-] ZINC000790391406 879660910 /nfs/dbraw/zinc/66/09/10/879660910.db2.gz YTCUSYDTTVJEKQ-JTQLQIEISA-N -2 0 399.852 3.555 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2csc(C)n2)sc1C(=O)[O-] ZINC000475839628 885062736 /nfs/dbraw/zinc/06/27/36/885062736.db2.gz YYWLNVOIVHIMTP-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000470460030 888264014 /nfs/dbraw/zinc/26/40/14/888264014.db2.gz VKUZPKWSELIKJT-UHFFFAOYSA-N -2 0 387.816 3.767 20 0 GHADRL Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)C(F)(F)F)cc1 ZINC001184711079 913376095 /nfs/dbraw/zinc/37/60/95/913376095.db2.gz NPDPHNQHDDLKJY-OAHLLOKOSA-N -2 0 387.379 3.584 20 0 GHADRL Cc1c(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c2ccccc2n1C ZINC000565055837 895372274 /nfs/dbraw/zinc/37/22/74/895372274.db2.gz LDOAVSDISABUJI-UHFFFAOYSA-N -2 0 386.473 3.695 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)cc1C(=O)[O-] ZINC000817358337 895530726 /nfs/dbraw/zinc/53/07/26/895530726.db2.gz WLHCEENNQZDBLV-UHFFFAOYSA-N -2 0 391.420 3.542 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)nn1C1CCCCC1 ZINC000566593784 896400409 /nfs/dbraw/zinc/40/04/09/896400409.db2.gz LVGAKEYNMXHUSM-UHFFFAOYSA-N -2 0 391.493 3.813 20 0 GHADRL CCCCOc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc(F)c1F ZINC001185909274 914168590 /nfs/dbraw/zinc/16/85/90/914168590.db2.gz OWRSJRMWEWIIDF-UHFFFAOYSA-N -2 0 399.415 3.951 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC1CCCC1 ZINC001185918222 914201155 /nfs/dbraw/zinc/20/11/55/914201155.db2.gz MIQALTAWVCNVBR-UHFFFAOYSA-N -2 0 393.436 3.955 20 0 GHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000568692242 898038639 /nfs/dbraw/zinc/03/86/39/898038639.db2.gz ZJJLIGWVYPAGRW-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL Cn1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3Cl)c21 ZINC000190850218 906357822 /nfs/dbraw/zinc/35/78/22/906357822.db2.gz 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O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2[S-])ccc1Cl ZINC001188312845 915879247 /nfs/dbraw/zinc/87/92/47/915879247.db2.gz YFRIWUIUWAGNBX-UHFFFAOYSA-N -2 0 378.258 3.781 20 0 GHADRL O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc(F)c(Br)c1[O-] ZINC001189824465 916946753 /nfs/dbraw/zinc/94/67/53/916946753.db2.gz JHQHKMMRGOLUOO-UHFFFAOYSA-N -2 0 396.184 3.514 20 0 GHADRL Nc1ccc2c(c1)Cc1cc(NC(=O)c3ccccc3OP(=O)([O-])[O-])ccc1-2 ZINC001189889310 916991745 /nfs/dbraw/zinc/99/17/45/916991745.db2.gz RLKDEFHPVODWIR-UHFFFAOYSA-N -2 0 396.339 3.564 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnc3ccc(Cl)cc3c2)cc1 ZINC001192112555 918417308 /nfs/dbraw/zinc/41/73/08/918417308.db2.gz AYXFCWBRBSUPEY-UHFFFAOYSA-N -2 0 390.848 3.706 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1Cl ZINC000013341142 919320278 /nfs/dbraw/zinc/32/02/78/919320278.db2.gz OOCGNOXPMZWHHX-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c1Cl ZINC000410395652 925608082 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397.836 3.655 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)ccc1Cl ZINC000758161364 929953673 /nfs/dbraw/zinc/95/36/73/929953673.db2.gz FAGKHSIYAGXQGC-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnc1Cl ZINC000759679211 930449673 /nfs/dbraw/zinc/44/96/73/930449673.db2.gz CQUDIIOVKITDCP-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000560010507 933017746 /nfs/dbraw/zinc/01/77/46/933017746.db2.gz VZOVORBLTCIDFD-UHFFFAOYSA-N -2 0 393.820 3.839 20 0 GHADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000322770309 970928731 /nfs/dbraw/zinc/92/87/31/970928731.db2.gz FPOXFFRFFSKUDQ-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1C(=O)[O-] ZINC000327268951 971381970 /nfs/dbraw/zinc/38/19/70/971381970.db2.gz FXLNHPIVZMHQAG-UHFFFAOYSA-N -2 0 395.767 3.650 20 0 GHADRL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000013078398 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383.447 3.535 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)c1C ZINC001595810818 982647585 /nfs/dbraw/zinc/64/75/85/982647585.db2.gz QQVFINJZGZFBIJ-UHFFFAOYSA-N -2 0 391.902 3.514 20 0 GHADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001595974380 983201108 /nfs/dbraw/zinc/20/11/08/983201108.db2.gz URIJXZLEBFYHBS-UHFFFAOYSA-N -2 0 386.429 3.523 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)[nH]nc1-c1ccccc1 ZINC001599969297 985975220 /nfs/dbraw/zinc/97/52/20/985975220.db2.gz BTKAQYMJQZFLTE-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cnn1C(CC)CC ZINC001597419648 987725094 /nfs/dbraw/zinc/72/50/94/987725094.db2.gz HLVWBPHABNKDRI-UHFFFAOYSA-N -2 0 383.470 3.515 20 0 GHADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])n1 ZINC001597604087 988478366 /nfs/dbraw/zinc/47/83/66/988478366.db2.gz CVCJYCIVMFACHR-UHFFFAOYSA-N -2 0 385.445 3.769 20 0 GHADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(F)cc2Cl)sc1C(=O)[O-] ZINC001590545591 990183671 /nfs/dbraw/zinc/18/36/71/990183671.db2.gz KWNAGXZLEBBKPM-UHFFFAOYSA-N -2 0 392.861 3.732 20 0 GHADRL CN(Cc1nc(=O)c2sccc2[n-]1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598538194 992865868 /nfs/dbraw/zinc/86/58/68/992865868.db2.gz HQCWOQVOSFNNKR-ZDUSSCGKSA-N -2 0 398.271 3.961 20 0 GHADRL COCc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc(C(=O)[O-])c1 ZINC001599289708 997043524 /nfs/dbraw/zinc/04/35/24/997043524.db2.gz SYDQXCQGAQUQBK-UHFFFAOYSA-N -2 0 390.244 3.639 20 0 GHADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])c2O1 ZINC001593969376 997133400 /nfs/dbraw/zinc/13/34/00/997133400.db2.gz NFNJTTBMFVITET-UHFFFAOYSA-N -2 0 381.837 3.553 20 0 GHADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3c(Cl)cccc3C(=O)[O-])c2O1 ZINC001593969540 997136697 /nfs/dbraw/zinc/13/66/97/997136697.db2.gz XNPAHYDFRRUCPP-UHFFFAOYSA-N -2 0 381.837 3.553 20 0 GHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001599579919 998511229 /nfs/dbraw/zinc/51/12/29/998511229.db2.gz MQCMLXTUAJTOBJ-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c(C(=O)[O-])c1 ZINC000777934408 1017877924 /nfs/dbraw/zinc/87/79/24/1017877924.db2.gz ZNVCYWSXVINZHH-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c1 ZINC000756930735 1023872815 /nfs/dbraw/zinc/87/28/15/1023872815.db2.gz AVKOQNOOSWDQPI-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1 ZINC001215454428 1029215949 /nfs/dbraw/zinc/21/59/49/1029215949.db2.gz ZGPPVNVZQJZDIY-UHFFFAOYSA-N -2 0 387.200 3.663 20 0 GHADRL O=C([O-])Cc1ccc(F)c(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001216682266 1029729123 /nfs/dbraw/zinc/72/91/23/1029729123.db2.gz YGDNKIOMKUXUAX-UHFFFAOYSA-N -2 0 375.377 3.596 20 0 GHADRL O=C([O-])c1cc(-c2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cn2)cs1 ZINC001206266159 1033779597 /nfs/dbraw/zinc/77/95/97/1033779597.db2.gz ZTDBGFKZILPYSR-UHFFFAOYSA-N -2 0 396.396 3.587 20 0 GHADRL COc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000326584914 1034269809 /nfs/dbraw/zinc/26/98/09/1034269809.db2.gz HWZVLOSXMMFEEG-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(Cl)c(Cl)c2)c(F)cc1Cl ZINC001259213337 1045013582 /nfs/dbraw/zinc/01/35/82/1045013582.db2.gz NOOAAXZZNWNMDW-UHFFFAOYSA-N -2 0 399.614 3.680 20 0 GHADRL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212740 1045014092 /nfs/dbraw/zinc/01/40/92/1045014092.db2.gz WTIOEKOWKDEPAO-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1ccc2cccnc2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259219112 1045016716 /nfs/dbraw/zinc/01/67/16/1045016716.db2.gz REPOPZVNYKZKSX-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2[S-])c(F)cc1Cl ZINC001259219427 1045017006 /nfs/dbraw/zinc/01/70/06/1045017006.db2.gz ZRKVMKOKEXEILF-UHFFFAOYSA-N -3 0 396.248 3.920 20 0 GHADRL COc1ccccc1S(=O)(=O)[N-]c1ccc([C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001259301034 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3.698 20 0 GHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)[O-] ZINC000504666456 850222816 /nfs/dbraw/zinc/22/28/16/850222816.db2.gz UJGHOXLFONIMTN-QMMMGPOBSA-N -2 0 377.896 3.768 20 0 GHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435482394 850563286 /nfs/dbraw/zinc/56/32/86/850563286.db2.gz GYIPEXCEWKJYKB-UHFFFAOYSA-N -2 0 378.208 3.560 20 0 GHADRL COc1c(Cl)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000509567259 852972344 /nfs/dbraw/zinc/97/23/44/852972344.db2.gz IVVLKDQIVUMNJH-UHFFFAOYSA-N -2 0 382.246 3.563 20 0 GHADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)c2)o1 ZINC000156333445 853658096 /nfs/dbraw/zinc/65/80/96/853658096.db2.gz JTBXJHMORKBDHJ-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cs1 ZINC000189724748 855185413 /nfs/dbraw/zinc/18/54/13/855185413.db2.gz QRPNAEPXLDTAQA-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc(C(F)(F)F)c1 ZINC000591797204 856282344 /nfs/dbraw/zinc/28/23/44/856282344.db2.gz RFXWKOGRLYQIGN-UHFFFAOYSA-N -2 0 399.268 3.622 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(Cl)cc1C(=O)[O-] ZINC000485291666 856313593 /nfs/dbraw/zinc/31/35/93/856313593.db2.gz LWAHOVADYOGESL-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000507907582 856679885 /nfs/dbraw/zinc/67/98/85/856679885.db2.gz HDDGSKOUGIKPRW-UHFFFAOYSA-N -2 0 389.454 3.750 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)sc1C(=O)[O-] ZINC000674754881 856771796 /nfs/dbraw/zinc/77/17/96/856771796.db2.gz NRRFGGHKEXLJKP-UHFFFAOYSA-N -2 0 397.865 3.599 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000060800364 857479528 /nfs/dbraw/zinc/47/95/28/857479528.db2.gz IXCMQXSBZICOKO-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(Cl)cc1C(=O)[O-] ZINC000442821658 858145317 /nfs/dbraw/zinc/14/53/17/858145317.db2.gz BTZGTYUAECRGJB-UHFFFAOYSA-N -2 0 381.793 3.594 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1C(F)(F)F ZINC000120324035 881382559 /nfs/dbraw/zinc/38/25/59/881382559.db2.gz MZYQDBQWSZLMAK-UHFFFAOYSA-N -2 0 399.268 3.622 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000466474026 859667394 /nfs/dbraw/zinc/66/73/94/859667394.db2.gz NTELZZBPKSUYHR-UHFFFAOYSA-N -2 0 399.472 3.551 20 0 GHADRL CN1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000013344888 859886699 /nfs/dbraw/zinc/88/66/99/859886699.db2.gz ZYCKIZVEWOWSKV-MDWZMJQESA-N -2 0 391.383 3.533 20 0 GHADRL CSc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000484969976 860558377 /nfs/dbraw/zinc/55/83/77/860558377.db2.gz DUTOXSYIFXYMTG-UHFFFAOYSA-N -2 0 381.475 3.695 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)sc1C(=O)[O-] ZINC000671663577 860595127 /nfs/dbraw/zinc/59/51/27/860595127.db2.gz ZPLCGUREZMAXML-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL COc1ccc2nc(/C=C/c3cccc(O[C@@H](C)C(=O)[O-])c3)cc(C(=O)[O-])c2c1 ZINC000607436297 864427449 /nfs/dbraw/zinc/42/74/49/864427449.db2.gz XOBGODILTBBABW-YBJDMEARSA-N -2 0 393.395 3.964 20 0 GHADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793388645 882163734 /nfs/dbraw/zinc/16/37/34/882163734.db2.gz OYHGIYMRXAXLES-UHFFFAOYSA-N -2 0 389.351 3.543 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000156343455 868333332 /nfs/dbraw/zinc/33/33/32/868333332.db2.gz FEFHIZWLFRCSQQ-UHFFFAOYSA-N -2 0 391.342 3.738 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1Cl ZINC000766332896 869600627 /nfs/dbraw/zinc/60/06/27/869600627.db2.gz QOQHILMPWWNBJR-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL C[C@@H](O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001192398665 870367951 /nfs/dbraw/zinc/36/79/51/870367951.db2.gz NUGRUOIKAFYEDR-MRVPVSSYSA-N -2 0 390.244 3.546 20 0 GHADRL Cc1cc(Cl)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001192403042 870374907 /nfs/dbraw/zinc/37/49/07/870374907.db2.gz ZPDJTZOXPGAXBP-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)nn1-c1ccc(C)cc1 ZINC000539399011 871897387 /nfs/dbraw/zinc/89/73/87/871897387.db2.gz FANIBVBSRNZSLP-UHFFFAOYSA-N -2 0 399.472 3.605 20 0 GHADRL CC(C)(C)COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001195237448 872304687 /nfs/dbraw/zinc/30/46/87/872304687.db2.gz FUOOAXSBEAQDNP-UHFFFAOYSA-N -2 0 399.415 3.889 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ncc(Cl)cc23)c(F)cc1F ZINC001195239381 872306171 /nfs/dbraw/zinc/30/61/71/872306171.db2.gz ZOANJNMGDYJRIG-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL CC(=O)c1sc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739510 874591848 /nfs/dbraw/zinc/59/18/48/874591848.db2.gz VRSUHFFOSHICPP-UHFFFAOYSA-N -2 0 381.475 3.747 20 0 GHADRL Cc1c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c2ccccc2n1C ZINC000551466886 877264201 /nfs/dbraw/zinc/26/42/01/877264201.db2.gz HCVICYYMGOUQCY-ZDUSSCGKSA-N -2 0 386.473 3.551 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(Cl)cc1C(=O)[O-] ZINC000477400053 877565029 /nfs/dbraw/zinc/56/50/29/877565029.db2.gz QHSKXMNVRHHWAA-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Br ZINC000185977669 880747957 /nfs/dbraw/zinc/74/79/57/880747957.db2.gz VFVNORIDXZNJHW-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)oc1C ZINC000919958418 881267229 /nfs/dbraw/zinc/26/72/29/881267229.db2.gz JYHXBNZCMZKVFZ-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2Br)c(C(=O)[O-])c1 ZINC000072077943 885540228 /nfs/dbraw/zinc/54/02/28/885540228.db2.gz LGTFCESMXRPVLL-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1C1CC1 ZINC000556799679 886193757 /nfs/dbraw/zinc/19/37/57/886193757.db2.gz KCPWFLPQQMXXKS-GFCCVEGCSA-N -2 0 377.466 3.539 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1C1CC1 ZINC000762476086 886265545 /nfs/dbraw/zinc/26/55/45/886265545.db2.gz MPHGUAFQYSWFQP-LLVKDONJSA-N -2 0 395.456 3.678 20 0 GHADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000794579872 887492373 /nfs/dbraw/zinc/49/23/73/887492373.db2.gz QQJHZRPXJSMTJF-UHFFFAOYSA-N -2 0 381.837 3.740 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2cccnc2)cc1C(=O)[O-] ZINC001184696321 913363202 /nfs/dbraw/zinc/36/32/02/913363202.db2.gz WAWVBXYDTQLUDP-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000537393963 894891401 /nfs/dbraw/zinc/89/14/01/894891401.db2.gz INVZOCUUGZSFCU-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)c1 ZINC000567599804 897283678 /nfs/dbraw/zinc/28/36/78/897283678.db2.gz BIAFNDWSRRSBJI-UHFFFAOYSA-N -2 0 391.420 3.542 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1C(C)C ZINC001185879745 914173022 /nfs/dbraw/zinc/17/30/22/914173022.db2.gz SREMTPMQKFMQTB-UHFFFAOYSA-N -2 0 399.472 3.938 20 0 GHADRL CCOc1ccc(-c2cccc(-n3[n-]c(C)c(CC(=O)[O-])c3=O)c2)cc1OCC ZINC000568266256 897705256 /nfs/dbraw/zinc/70/52/56/897705256.db2.gz OIOFBDVIQXCEOK-SFHVURJKSA-N -2 0 396.443 3.964 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)ccc1F ZINC001186144051 914327839 /nfs/dbraw/zinc/32/78/39/914327839.db2.gz VGHAPNZOSWFKDT-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C(N=c1nc(-c2ccccc2C(F)(F)F)[n-]s1)[N-]O[C@@H]1CCCCO1 ZINC000824725892 899790137 /nfs/dbraw/zinc/79/01/37/899790137.db2.gz NQOIGBGGPVYSCW-LLVKDONJSA-N -2 0 388.371 3.804 20 0 GHADRL O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926208 904260099 /nfs/dbraw/zinc/26/00/99/904260099.db2.gz JYHVNJGWZKGRMS-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL COC(=O)c1c(Cl)cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1Cl ZINC001176245082 908004779 /nfs/dbraw/zinc/00/47/79/908004779.db2.gz SSSDIKWJRZHDQH-UHFFFAOYSA-N -2 0 384.171 3.920 20 0 GHADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000193498368 908444854 /nfs/dbraw/zinc/44/48/54/908444854.db2.gz BCMQMYQWOFEWAA-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)cc3ncoc32)c1 ZINC001187588961 915353149 /nfs/dbraw/zinc/35/31/49/915353149.db2.gz FICFDPTUSWQCNV-UHFFFAOYSA-N -2 0 387.200 3.634 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)no2)ccc1Cl ZINC001188279840 915872018 /nfs/dbraw/zinc/87/20/18/915872018.db2.gz RAJKMOPDDGPYTC-UHFFFAOYSA-N -2 0 384.822 3.556 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc(F)cnc32)ccc1Cl ZINC001188314089 915880468 /nfs/dbraw/zinc/88/04/68/915880468.db2.gz HEEHJLYEICRFTB-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2[S-])ccc1Cl ZINC001188303471 915903612 /nfs/dbraw/zinc/90/36/12/915903612.db2.gz QQGNPYRCOLVMTP-UHFFFAOYSA-N -3 0 378.258 3.781 20 0 GHADRL CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccccc2OP(=O)([O-])[O-])cc1 ZINC001189899336 916996417 /nfs/dbraw/zinc/99/64/17/916996417.db2.gz OQJNIAVIRQCRNT-CQSZACIVSA-N -2 0 377.377 3.848 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c(F)cc1F ZINC000410399702 925615521 /nfs/dbraw/zinc/61/55/21/925615521.db2.gz FVNOMHZKCUBNOA-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)cc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000683070775 926350508 /nfs/dbraw/zinc/35/05/08/926350508.db2.gz CVOJSXWLUKSOLL-UHFFFAOYSA-N -2 0 379.381 3.883 20 0 GHADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)c1 ZINC000388358452 926381221 /nfs/dbraw/zinc/38/12/21/926381221.db2.gz RKQRULBUCSDVCQ-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)cc1C(=O)[O-] ZINC000753778950 929533959 /nfs/dbraw/zinc/53/39/59/929533959.db2.gz RKSWFCLBVRSRJV-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c1F ZINC000758162088 929953797 /nfs/dbraw/zinc/95/37/97/929953797.db2.gz IACMVIHDMXRVGH-UHFFFAOYSA-N -2 0 394.207 3.646 20 0 GHADRL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000758951012 930227790 /nfs/dbraw/zinc/22/77/90/930227790.db2.gz NZKIKTZPWCIFHS-UHFFFAOYSA-N -2 0 389.857 3.841 20 0 GHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470457623 930631587 /nfs/dbraw/zinc/63/15/87/930631587.db2.gz HBPFQPCXIDEXEM-UHFFFAOYSA-N -2 0 395.820 3.902 20 0 GHADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000226463978 959878870 /nfs/dbraw/zinc/87/88/70/959878870.db2.gz LIBVBLGZYBVWAU-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c(F)cc1Cl ZINC001259211994 960659349 /nfs/dbraw/zinc/65/93/49/960659349.db2.gz AMSRMBBKIPQOLX-UHFFFAOYSA-N -2 0 386.813 3.588 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccncc32)c(F)cc1Cl ZINC001259219618 960679302 /nfs/dbraw/zinc/67/93/02/960679302.db2.gz CMHDHUODNJYLMJ-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001591755190 975815824 /nfs/dbraw/zinc/81/58/24/975815824.db2.gz DQKXKBSQACCMSI-YHYXMXQVSA-N -2 0 379.409 3.512 20 0 GHADRL CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001591828756 976088507 /nfs/dbraw/zinc/08/85/07/976088507.db2.gz WHUMRXJEBTUFTM-UHFFFAOYSA-N -2 0 386.882 3.735 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)n2)c1 ZINC001591982741 976600099 /nfs/dbraw/zinc/60/00/99/976600099.db2.gz DRKZFIQABHMFSE-SZMVWBNQSA-N -2 0 397.475 3.559 20 0 GHADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001595781041 982557654 /nfs/dbraw/zinc/55/76/54/982557654.db2.gz XFNCOMXBZAMPJK-UHFFFAOYSA-N -2 0 393.461 3.682 20 0 GHADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001589284198 986019695 /nfs/dbraw/zinc/01/96/95/986019695.db2.gz VNZQTWIRNXCTSY-UHFFFAOYSA-N -2 0 391.829 3.551 20 0 GHADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC001597578441 988373307 /nfs/dbraw/zinc/37/33/07/988373307.db2.gz FGKFXTLOKRPCHW-UHFFFAOYSA-N -2 0 398.278 3.819 20 0 GHADRL CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC001590537349 990153686 /nfs/dbraw/zinc/15/36/86/990153686.db2.gz RXEOCVGPTBAKKN-UHFFFAOYSA-N -2 0 382.507 3.604 20 0 GHADRL CC(C)CCc1ccccc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001591269874 992186655 /nfs/dbraw/zinc/18/66/55/992186655.db2.gz LEBBJBJHSMJTHL-UHFFFAOYSA-N -2 0 391.489 3.930 20 0 GHADRL C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001593146637 993945626 /nfs/dbraw/zinc/94/56/26/993945626.db2.gz PLQHDWLYRQRXQR-VIFPVBQESA-N -2 0 384.215 3.653 20 0 GHADRL C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001593367583 995058535 /nfs/dbraw/zinc/05/85/35/995058535.db2.gz PCLZFOXRFQAUAW-ZDUSSCGKSA-N -2 0 386.429 3.952 20 0 GHADRL C[C@@H](Oc1ccccc1CNc1ccc(S[C@H](C)C(=O)[O-])cc1)C(=O)[O-] ZINC001593650486 996006361 /nfs/dbraw/zinc/00/63/61/996006361.db2.gz CBZUOIASSMGCPS-CHWSQXEVSA-N -2 0 375.446 3.716 20 0 GHADRL C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)c1c([O-])cccc1F ZINC001593719678 996245086 /nfs/dbraw/zinc/24/50/86/996245086.db2.gz DWCQWBOCDSKCTN-GFCCVEGCSA-N -2 0 384.363 3.621 20 0 GHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001599579926 998511039 /nfs/dbraw/zinc/51/10/39/998511039.db2.gz MXCSQHBWQCDGGZ-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001599378110 998522296 /nfs/dbraw/zinc/52/22/96/998522296.db2.gz RSDSUANGMDCEMC-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1-c1ncccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001243202515 1036063457 /nfs/dbraw/zinc/06/34/57/1036063457.db2.gz BEBBYHIWXQKOAV-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL O=S(=O)([N-]c1cccc(F)c1)c1cccnc1-c1cc(F)cc(F)c1[O-] ZINC001243502411 1036184671 /nfs/dbraw/zinc/18/46/71/1036184671.db2.gz VQKLFRLDHNRVBY-UHFFFAOYSA-N -2 0 380.347 3.672 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3ccc(O)cc3)cc2)c1 ZINC001260215276 1045416838 /nfs/dbraw/zinc/41/68/38/1045416838.db2.gz RDNHDBYUJMWXHO-UHFFFAOYSA-N -2 0 387.388 3.697 20 0 GHADRL CCc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(O)c1Cl ZINC001260227715 1045420583 /nfs/dbraw/zinc/42/05/83/1045420583.db2.gz WBSMBJXFYZMYKG-UHFFFAOYSA-N -2 0 390.244 3.760 20 0 GHADRL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC001260869410 1045727031 /nfs/dbraw/zinc/72/70/31/1045727031.db2.gz PZYSGOOJRZVLMM-UHFFFAOYSA-N -2 0 398.271 3.994 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c(OC)c1F ZINC001260877496 1045733811 /nfs/dbraw/zinc/73/38/11/1045733811.db2.gz YEZKNXYZEQNBKI-UHFFFAOYSA-N -2 0 396.223 3.656 20 0 GHADRL COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260876938 1045733919 /nfs/dbraw/zinc/73/39/19/1045733919.db2.gz NUSXSVFEERIUMV-UHFFFAOYSA-N -2 0 390.244 3.711 20 0 GHADRL COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000738142413 599736470 /nfs/dbraw/zinc/73/64/70/599736470.db2.gz GRYXAFISCBSVOT-UHFFFAOYSA-N -2 0 389.385 3.580 20 0 GHADRL O=C([O-])c1cccc(Cc2cnc(NC(=O)c3c([O-])cc(F)cc3F)s2)c1 ZINC000740227285 599741612 /nfs/dbraw/zinc/74/16/12/599741612.db2.gz CNLYVKBBKSEYDI-UHFFFAOYSA-N -2 0 390.367 3.668 20 0 GHADRL CCOc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC000737210681 599874429 /nfs/dbraw/zinc/87/44/29/599874429.db2.gz PZSORYRJXZXXIV-UHFFFAOYSA-N -2 0 399.852 3.747 20 0 GHADRL O=C([O-])Nc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000740041053 599924557 /nfs/dbraw/zinc/92/45/57/599924557.db2.gz NIUKAGMINKXHCO-UHFFFAOYSA-N -2 0 378.303 3.735 20 0 GHADRL CCC1=C(C(=O)[O-])[C@@H](c2cccc(C)c2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736932566 600004816 /nfs/dbraw/zinc/00/48/16/600004816.db2.gz SVXWLWGVONVHQB-LJQANCHMSA-N -2 0 394.427 3.708 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)c1C(=O)[O-] ZINC000738969741 600055298 /nfs/dbraw/zinc/05/52/98/600055298.db2.gz QCJNXVMOQWFRGM-UHFFFAOYSA-N -2 0 386.838 3.659 20 0 GHADRL COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737946625 600092851 /nfs/dbraw/zinc/09/28/51/600092851.db2.gz FJOKCMWEGGYZMS-UHFFFAOYSA-N -2 0 381.425 3.631 20 0 GHADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)nc2n1 ZINC000738346570 600102370 /nfs/dbraw/zinc/10/23/70/600102370.db2.gz XGTDNMZTKPNANJ-UHFFFAOYSA-N -2 0 391.474 3.622 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c(F)cc1F ZINC000740090601 600230042 /nfs/dbraw/zinc/23/00/42/600230042.db2.gz ZIDJHTNJCVDMMY-UHFFFAOYSA-N -2 0 395.355 3.779 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nc(/C=C\c3ccccc3)cs2)c1 ZINC000740272496 600377438 /nfs/dbraw/zinc/37/74/38/600377438.db2.gz WAOVYYQJJJTMLN-SREVYHEPSA-N -2 0 392.483 3.874 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000523529891 600541947 /nfs/dbraw/zinc/54/19/47/600541947.db2.gz RVGKBINMORKQQN-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cs1 ZINC000511113555 600674578 /nfs/dbraw/zinc/67/45/78/600674578.db2.gz CXDCZRYCWLLKND-UHFFFAOYSA-N -2 0 390.442 3.780 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c(Cl)c1Cl ZINC000738069521 601047345 /nfs/dbraw/zinc/04/73/45/601047345.db2.gz GMALCDLCRSYCRN-UHFFFAOYSA-N -2 0 391.232 3.893 20 0 GHADRL Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)ccc2C)c1 ZINC000738798461 601051442 /nfs/dbraw/zinc/05/14/42/601051442.db2.gz QMWCWNGKEWPKKY-UHFFFAOYSA-N -2 0 388.401 3.583 20 0 GHADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000391992668 601321783 /nfs/dbraw/zinc/32/17/83/601321783.db2.gz FEOKPHKBUSIARU-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1SC ZINC000064374798 601326687 /nfs/dbraw/zinc/32/66/87/601326687.db2.gz MCSSKMAERVYUOI-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL CCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3OC)cc21 ZINC000460827624 601332310 /nfs/dbraw/zinc/33/23/10/601332310.db2.gz CNHQKLKJUOIQFH-UHFFFAOYSA-N -2 0 388.445 3.559 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C2CC2)nn1-c1ccccc1 ZINC000832867699 601402608 /nfs/dbraw/zinc/40/26/08/601402608.db2.gz CGHPADXTYOLFCR-UHFFFAOYSA-N -2 0 397.456 3.557 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2c(-c3ccccc3)nc3ccccn32)c1 ZINC000833344587 601770482 /nfs/dbraw/zinc/77/04/82/601770482.db2.gz WDHOCINYVBZSGW-UHFFFAOYSA-N -2 0 399.453 3.562 20 0 GHADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877622 601834930 /nfs/dbraw/zinc/83/49/30/601834930.db2.gz QDLYPBOTOAZNGC-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL CSCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000066588239 601839185 /nfs/dbraw/zinc/83/91/85/601839185.db2.gz XZKNTPTXEYHUDB-UHFFFAOYSA-N -2 0 389.857 3.841 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3cc(Br)ccc3c2)o1 ZINC000321225320 601985593 /nfs/dbraw/zinc/98/55/93/601985593.db2.gz BRUQIWMTEHKTMU-UHFFFAOYSA-N -2 0 396.218 3.694 20 0 GHADRL O=C([O-])COc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c2ccccc12 ZINC000833256316 602069085 /nfs/dbraw/zinc/06/90/85/602069085.db2.gz NKOXWYUWOROMDN-UHFFFAOYSA-N -2 0 385.416 3.667 20 0 GHADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000326381839 602158622 /nfs/dbraw/zinc/15/86/22/602158622.db2.gz IKMXLXXYPYIGGB-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832890980 602176249 /nfs/dbraw/zinc/17/62/49/602176249.db2.gz GWGVFAJNUMMIHE-CYBMUJFWSA-N -2 0 394.518 3.934 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(F)c3C(=O)[O-])s2)cs1 ZINC000162350471 602198928 /nfs/dbraw/zinc/19/89/28/602198928.db2.gz XBGGAAPADRBTDE-UHFFFAOYSA-N -2 0 398.462 3.818 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000484605883 604804483 /nfs/dbraw/zinc/80/44/83/604804483.db2.gz VCCOWYSVHTXLFK-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL CCCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])C1CCN(C(=O)[O-])CC1 ZINC000826884649 605823097 /nfs/dbraw/zinc/82/30/97/605823097.db2.gz SKEDXPYLBRDKHK-UHFFFAOYSA-N -2 0 375.252 3.694 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000547871130 837324899 /nfs/dbraw/zinc/32/48/99/837324899.db2.gz DZBKHVZZVOSOAV-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2C(=O)[O-])c1 ZINC000511722282 840550244 /nfs/dbraw/zinc/55/02/44/840550244.db2.gz KISRHYBBDUMMKY-UHFFFAOYSA-N -2 0 393.461 3.500 20 0 GHADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc2)o1 ZINC000026540085 840994036 /nfs/dbraw/zinc/99/40/36/840994036.db2.gz WBKSZHUDICBJMR-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)sc1Cl ZINC000473485868 843891721 /nfs/dbraw/zinc/89/17/21/843891721.db2.gz BINHLFSRMWWYCE-UHFFFAOYSA-N -2 0 387.866 3.558 20 0 GHADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1 ZINC000731338861 861570350 /nfs/dbraw/zinc/57/03/50/861570350.db2.gz JKBPKJARGBQMLV-UHFFFAOYSA-N -2 0 390.244 3.891 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000512781765 845514336 /nfs/dbraw/zinc/51/43/36/845514336.db2.gz XDLMJORUOPVBSM-UHFFFAOYSA-N -2 0 392.452 3.623 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)c1 ZINC000512786338 845516857 /nfs/dbraw/zinc/51/68/57/845516857.db2.gz YZMZBWURLBIUQJ-UHFFFAOYSA-N -2 0 397.399 3.561 20 0 GHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1)C(=O)[O-] ZINC000504658684 850204599 /nfs/dbraw/zinc/20/45/99/850204599.db2.gz YVAJXQMNNZYAKN-SECBINFHSA-N -2 0 389.857 3.845 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)sc1C ZINC000488272440 851336712 /nfs/dbraw/zinc/33/67/12/851336712.db2.gz AOXXPHJVRORONE-UHFFFAOYSA-N -2 0 395.380 3.763 20 0 GHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)cc1 ZINC000436477754 851965744 /nfs/dbraw/zinc/96/57/44/851965744.db2.gz NBTVYOHQZVUWKG-UHFFFAOYSA-N -2 0 388.420 3.582 20 0 GHADRL CCOc1cc([N-]S(=O)(=O)c2ccccc2Cl)c(C(=O)[O-])cc1OCC ZINC000517808245 852432875 /nfs/dbraw/zinc/43/28/75/852432875.db2.gz KLNMGVDKFPJYQZ-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000507023721 852490519 /nfs/dbraw/zinc/49/05/19/852490519.db2.gz YZHHKLSHFSGDTJ-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489751135 852570134 /nfs/dbraw/zinc/57/01/34/852570134.db2.gz KORIMKNIMHEOAO-UHFFFAOYSA-N -2 0 396.852 3.578 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c(F)c1 ZINC000438734416 852773812 /nfs/dbraw/zinc/77/38/12/852773812.db2.gz YBRBTTQGQAAGTL-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL COc1cc(F)c(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c(F)c1 ZINC000588629463 854308253 /nfs/dbraw/zinc/30/82/53/854308253.db2.gz ZHLWWNNVGKFJKF-UHFFFAOYSA-N -2 0 385.388 3.596 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC(C)C)sc1C(=O)[O-] ZINC000572657956 854922220 /nfs/dbraw/zinc/92/22/20/854922220.db2.gz XZBKKMUXJMMTKQ-UHFFFAOYSA-N -2 0 389.882 3.996 20 0 GHADRL CC(C)c1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2s1 ZINC000520700020 856054426 /nfs/dbraw/zinc/05/44/26/856054426.db2.gz VNQOLCLTRXEPTO-UHFFFAOYSA-N -2 0 382.488 3.980 20 0 GHADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)c1 ZINC000058518849 862759326 /nfs/dbraw/zinc/75/93/26/862759326.db2.gz YOEOJMKPLJVFIK-UHFFFAOYSA-N -2 0 393.461 3.545 20 0 GHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1ccccc1 ZINC000507888091 856631005 /nfs/dbraw/zinc/63/10/05/856631005.db2.gz BJYVNQYFDWQRKY-UHFFFAOYSA-N -2 0 399.472 3.632 20 0 GHADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)c1 ZINC000674050200 862873299 /nfs/dbraw/zinc/87/32/99/862873299.db2.gz KDRZSJYQISGJJM-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1 ZINC000007230517 857222005 /nfs/dbraw/zinc/22/20/05/857222005.db2.gz UAWOGDZDRMAHIR-UHFFFAOYSA-N -2 0 385.416 3.916 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1F ZINC000486102218 857411025 /nfs/dbraw/zinc/41/10/25/857411025.db2.gz QPYLAVHPRHAPEW-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000059004823 857942125 /nfs/dbraw/zinc/94/21/25/857942125.db2.gz JLSGLFUQDYTGAS-UHFFFAOYSA-N -2 0 386.385 3.555 20 0 GHADRL O=C([O-])CCOc1ccc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1 ZINC000443445853 858687670 /nfs/dbraw/zinc/68/76/70/858687670.db2.gz RWAKIJXCWGQSBB-FLIBITNWSA-N -2 0 390.395 3.866 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)nn1[C@H](C)C1CC1 ZINC000543160716 858705409 /nfs/dbraw/zinc/70/54/09/858705409.db2.gz DXHSRNBKOPLXAJ-CYBMUJFWSA-N -2 0 391.493 3.785 20 0 GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000183346248 858724562 /nfs/dbraw/zinc/72/45/62/858724562.db2.gz LTDZEOJNJTXDEH-UHFFFAOYSA-N -2 0 386.429 3.766 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)c1 ZINC000060738635 859944796 /nfs/dbraw/zinc/94/47/96/859944796.db2.gz ILBXLMYRRUQTRE-UHFFFAOYSA-N -2 0 377.365 3.798 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000484805668 860369791 /nfs/dbraw/zinc/36/97/91/860369791.db2.gz UKORNESSMZQTTB-UHFFFAOYSA-N -2 0 379.743 3.565 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000484980685 860569284 /nfs/dbraw/zinc/56/92/84/860569284.db2.gz ODAOQSXGHLRYQZ-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc1Cl ZINC000671663388 860596429 /nfs/dbraw/zinc/59/64/29/860596429.db2.gz GJBUFVCVZFQLSG-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000324402287 863478542 /nfs/dbraw/zinc/47/85/42/863478542.db2.gz STJOHPSDIZZWIN-UHFFFAOYSA-N -2 0 389.882 3.998 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)c1C(C)C ZINC000480207820 864267665 /nfs/dbraw/zinc/26/76/65/864267665.db2.gz GOCPZZRCMJWCRA-UHFFFAOYSA-N -2 0 393.509 3.868 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1C ZINC000480223878 864294803 /nfs/dbraw/zinc/29/48/03/864294803.db2.gz KVCDFEBIAKZEOX-SECBINFHSA-N -2 0 385.873 3.623 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cnn1C(CC)CC ZINC000480257239 864341293 /nfs/dbraw/zinc/34/12/93/864341293.db2.gz ZLAIFOGUDWYODM-UHFFFAOYSA-N -2 0 397.472 3.753 20 0 GHADRL COc1ccc2nc(/C=C\c3cccc(O[C@@H](C)C(=O)[O-])c3)cc(C(=O)[O-])c2c1 ZINC000607436294 864427284 /nfs/dbraw/zinc/42/72/84/864427284.db2.gz XOBGODILTBBABW-FWWRYZNZSA-N -2 0 393.395 3.964 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)c(C)c1C(=O)[O-] ZINC000499269785 881845379 /nfs/dbraw/zinc/84/53/79/881845379.db2.gz ZKLDMURSZJGNHO-UHFFFAOYSA-N -2 0 393.509 3.778 20 0 GHADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000740811346 866029348 /nfs/dbraw/zinc/02/93/48/866029348.db2.gz CCEZMNOKROICCV-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2)CC1 ZINC000743250887 868016361 /nfs/dbraw/zinc/01/63/61/868016361.db2.gz IPEGAASLLIDXTL-UHFFFAOYSA-N -2 0 392.452 3.561 20 0 GHADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1-c1ccccc1 ZINC000793411552 882152620 /nfs/dbraw/zinc/15/26/20/882152620.db2.gz KDIBBKWJYFMPIR-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc(C(=O)[O-])c1C ZINC000535067181 868089801 /nfs/dbraw/zinc/08/98/01/868089801.db2.gz KNAGONYIVVAKQB-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cnn1CC(C)C ZINC000446617106 870099968 /nfs/dbraw/zinc/09/99/68/870099968.db2.gz JHDMHNWJIIVNRN-UHFFFAOYSA-N -2 0 399.538 3.706 20 0 GHADRL CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2[S-])cc1C(=O)[O-] ZINC001192640230 870584037 /nfs/dbraw/zinc/58/40/37/870584037.db2.gz RRYPGSMSTVITMT-UHFFFAOYSA-N -2 0 387.866 3.526 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)sc1Br ZINC000149485378 871179764 /nfs/dbraw/zinc/17/97/64/871179764.db2.gz PTOVWIWELMMKOA-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1C ZINC000766585470 871192333 /nfs/dbraw/zinc/19/23/33/871192333.db2.gz PLRCUUGSULJANS-UHFFFAOYSA-N -2 0 383.853 3.773 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(Cl)cc1F ZINC001193966012 871406816 /nfs/dbraw/zinc/40/68/16/871406816.db2.gz ZEVSXDZMASIHMF-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL Cc1nc2ccccc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193971701 871409689 /nfs/dbraw/zinc/40/96/89/871409689.db2.gz ILYHCZKKASOOIY-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2cnco2)c(Cl)cc1F ZINC001194010154 871430341 /nfs/dbraw/zinc/43/03/41/871430341.db2.gz GOINROMYHBNYGY-UHFFFAOYSA-N -2 0 396.783 3.633 20 0 GHADRL C[Si](C)(C)CCS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC001195081611 872160974 /nfs/dbraw/zinc/16/09/74/872160974.db2.gz XPHRUSUGXYPPAO-UHFFFAOYSA-N -2 0 386.771 3.888 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3ccccn3)c2)c(F)cc1F ZINC001195234958 872241976 /nfs/dbraw/zinc/24/19/76/872241976.db2.gz UTEDXHRIITZWIM-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3nc(Cl)ccc23)c(F)cc1F ZINC001195244052 872274889 /nfs/dbraw/zinc/27/48/89/872274889.db2.gz CITYUOWEIJYUQD-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1)C(=O)[O-] ZINC000463792471 872570026 /nfs/dbraw/zinc/57/00/26/872570026.db2.gz XUODHJFAWFAWHS-INIZCTEOSA-N -2 0 398.484 3.997 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3nccnc3C3CC3)cc2)c1 ZINC001196067637 872838699 /nfs/dbraw/zinc/83/86/99/872838699.db2.gz AUNWHOUUMOPDSC-UHFFFAOYSA-N -2 0 395.440 3.520 20 0 GHADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000768281624 873230471 /nfs/dbraw/zinc/23/04/71/873230471.db2.gz FPHYHDQNMJXZFG-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000541307378 873332885 /nfs/dbraw/zinc/33/28/85/873332885.db2.gz ZCNUKLFANTYVFX-UHFFFAOYSA-N -2 0 377.466 3.504 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc(C(=O)[O-])c1Cl ZINC000769890982 874355489 /nfs/dbraw/zinc/35/54/89/874355489.db2.gz XUUVQBPUOPJVRR-UHFFFAOYSA-N -2 0 394.207 3.646 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)nc1 ZINC001198740997 874591680 /nfs/dbraw/zinc/59/16/80/874591680.db2.gz MFMGBQPPQIFIGJ-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1OC1CCCCC1 ZINC001198782191 874606486 /nfs/dbraw/zinc/60/64/86/874606486.db2.gz DMQLQPPSAAZBQD-UHFFFAOYSA-N -2 0 375.446 3.897 20 0 GHADRL CCC(CC)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198790557 874611828 /nfs/dbraw/zinc/61/18/28/874611828.db2.gz YZIYFHXZBHVDSC-UHFFFAOYSA-N -2 0 381.425 3.892 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2scnc2C(C)C)ccc1OCCCC(=O)[O-] ZINC000451101724 877395899 /nfs/dbraw/zinc/39/58/99/877395899.db2.gz FNYLPBJEQRGZGE-UHFFFAOYSA-N -2 0 398.506 3.619 20 0 GHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000477339543 877458937 /nfs/dbraw/zinc/45/89/37/877458937.db2.gz HHSQJYAOZDOGOI-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000790407342 879685743 /nfs/dbraw/zinc/68/57/43/879685743.db2.gz CUJTTZWQNCSCTK-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000475825027 884324194 /nfs/dbraw/zinc/32/41/94/884324194.db2.gz FMLILTBJVDGDJS-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc(Cl)c1Cl ZINC000761950653 885027670 /nfs/dbraw/zinc/02/76/70/885027670.db2.gz JHQADNJROWIXJL-UHFFFAOYSA-N -2 0 399.614 3.680 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cnc3cc(Cl)ccc3c2)cc1C(=O)[O-] ZINC001184664797 913353844 /nfs/dbraw/zinc/35/38/44/913353844.db2.gz UWKUTEDVORLSDP-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cnc3ccc(Cl)cc3c2)cc1C(=O)[O-] ZINC001184668347 913356261 /nfs/dbraw/zinc/35/62/61/913356261.db2.gz RUXHNABMMSTLHZ-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)s2)s1 ZINC000874971836 892392952 /nfs/dbraw/zinc/39/29/52/892392952.db2.gz ZKTVYKXUUSKHOP-UHFFFAOYSA-N -2 0 393.467 3.788 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1Cl ZINC000537198125 894525814 /nfs/dbraw/zinc/52/58/14/894525814.db2.gz ZILVXHBXGLZQNQ-UHFFFAOYSA-N -2 0 383.853 3.935 20 0 GHADRL COc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185868991 914158125 /nfs/dbraw/zinc/15/81/25/914158125.db2.gz GAXFNIFLANSKCX-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1[S-] ZINC001185905932 914165615 /nfs/dbraw/zinc/16/56/15/914165615.db2.gz DZZUQLZQWRIKDY-UHFFFAOYSA-N -2 0 391.392 3.802 20 0 GHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000570137396 899150963 /nfs/dbraw/zinc/15/09/63/899150963.db2.gz XPAAYJWVBREQLH-UHFFFAOYSA-N -2 0 393.408 3.975 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cc3ccccc3)c2)ccc1F ZINC001186133606 914322766 /nfs/dbraw/zinc/32/27/66/914322766.db2.gz QECGVEKZYSGZIZ-UHFFFAOYSA-N -2 0 385.416 3.916 20 0 GHADRL C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])c21 ZINC001148926803 904262095 /nfs/dbraw/zinc/26/20/95/904262095.db2.gz VTCLNZKCBQXMHD-LLVKDONJSA-N -2 0 375.446 3.676 20 0 GHADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cc1 ZINC000773252489 904616598 /nfs/dbraw/zinc/61/65/98/904616598.db2.gz UQHKPQZWBMJDDH-UHFFFAOYSA-N -2 0 383.491 3.691 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2OC)cc1C(=O)[O-] ZINC000647134401 915048961 /nfs/dbraw/zinc/04/89/61/915048961.db2.gz DMAAXGYQKDRGLH-UHFFFAOYSA-N -2 0 393.461 3.500 20 0 GHADRL Cc1ccc2cccnc2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187578762 915373326 /nfs/dbraw/zinc/37/33/26/915373326.db2.gz AMQJLINPSIVAPP-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3ccc(O)cc3c2)c1 ZINC001187579041 915373783 /nfs/dbraw/zinc/37/37/83/915373783.db2.gz KQLNPONHKLWTEK-UHFFFAOYSA-N -2 0 377.805 3.698 20 0 GHADRL O=C(Nc1cccc(CCc2ccccn2)c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189861494 916962611 /nfs/dbraw/zinc/96/26/11/916962611.db2.gz TUZXISMCGJKMMD-UHFFFAOYSA-N -2 0 398.355 3.591 20 0 GHADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000681562505 925851221 /nfs/dbraw/zinc/85/12/21/925851221.db2.gz VLFOUALMEVOVTQ-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000392732748 926407362 /nfs/dbraw/zinc/40/73/62/926407362.db2.gz XEJWWICNEMEDLX-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)nn1[C@H](C)C1CC1 ZINC000544097061 928802562 /nfs/dbraw/zinc/80/25/62/928802562.db2.gz SYHZVFJJJXTNMH-LLVKDONJSA-N -2 0 397.884 3.623 20 0 GHADRL CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000544646529 929383376 /nfs/dbraw/zinc/38/33/76/929383376.db2.gz PTJSFZBEDFAHDW-UHFFFAOYSA-N -2 0 393.461 3.596 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759091271 930270528 /nfs/dbraw/zinc/27/05/28/930270528.db2.gz RJUGZFMBJJPXLZ-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000470455501 930630772 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ZINC000736486441 600482225 /nfs/dbraw/zinc/48/22/25/600482225.db2.gz ULNRMTYENCCJAE-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL O=C([O-])CCSCc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000833239770 600707377 /nfs/dbraw/zinc/70/73/77/600707377.db2.gz LUTUFRZGMLIDAJ-UHFFFAOYSA-N -2 0 397.456 3.538 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)c1 ZINC000740272610 600757785 /nfs/dbraw/zinc/75/77/85/600757785.db2.gz ZVCOIIJJLAOXTO-UHFFFAOYSA-N -2 0 380.491 3.628 20 0 GHADRL Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000641951096 600808591 /nfs/dbraw/zinc/80/85/91/600808591.db2.gz GHDIXDSFCFEWFB-UHFFFAOYSA-N -2 0 385.445 3.576 20 0 GHADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)n2)cc1 ZINC000736515972 600815568 /nfs/dbraw/zinc/81/55/68/600815568.db2.gz VLJPFKQILZMQEE-HNNXBMFYSA-N -2 0 399.472 3.709 20 0 GHADRL O=C([O-])NCc1ccc(NC(=O)c2cc(Br)cc(Cl)c2[O-])cc1 ZINC000833282685 600831836 /nfs/dbraw/zinc/83/18/36/600831836.db2.gz YEASDCHMXHBBJT-UHFFFAOYSA-N -2 0 399.628 3.828 20 0 GHADRL CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736499962 600894122 /nfs/dbraw/zinc/89/41/22/600894122.db2.gz MSTLEACKSBYGDX-UHFFFAOYSA-N -2 0 375.855 3.933 20 0 GHADRL Cc1cc2sc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)nc2c(C)c1 ZINC000832874754 600974876 /nfs/dbraw/zinc/97/48/76/600974876.db2.gz LTDGUSDISQTSPC-UHFFFAOYSA-N -2 0 376.459 3.721 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3ccccc3n2C2CCCC2)cs1 ZINC000833306468 600984754 /nfs/dbraw/zinc/98/47/54/600984754.db2.gz WGGSKFLOMFEVRZ-UHFFFAOYSA-N -2 0 391.474 3.712 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(Cl)c1Cl ZINC000460433727 601045935 /nfs/dbraw/zinc/04/59/35/601045935.db2.gz FQWXBRFMPFJWNF-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000833029388 601234430 /nfs/dbraw/zinc/23/44/30/601234430.db2.gz HXERRJUFKALCGF-UHFFFAOYSA-N -2 0 383.397 3.548 20 0 GHADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n[nH]1 ZINC000754828069 601240907 /nfs/dbraw/zinc/24/09/07/601240907.db2.gz RPSMSLUCEXRTQP-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832781000 601327858 /nfs/dbraw/zinc/32/78/58/601327858.db2.gz NULDUJRRUNZLDW-WTKPLQERSA-N -2 0 383.878 3.961 20 0 GHADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000833296878 601474575 /nfs/dbraw/zinc/47/45/75/601474575.db2.gz BXINLOIFPWQDKX-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cnc1Cl ZINC000832898565 601576709 /nfs/dbraw/zinc/57/67/09/601576709.db2.gz PFNZRZMGCBDJPX-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL Cc1c(C)c(C)c(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c(C)c1C ZINC000832853134 601771354 /nfs/dbraw/zinc/77/13/54/601771354.db2.gz DKSCWENIYCPEFH-UHFFFAOYSA-N -2 0 396.534 3.893 20 0 GHADRL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)nc21 ZINC000013348317 601843581 /nfs/dbraw/zinc/84/35/81/601843581.db2.gz PJQNRXQOSSLCHP-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000832886267 602159182 /nfs/dbraw/zinc/15/91/82/602159182.db2.gz AODJKWNURYWPQY-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C(=O)[O-])c3)s2)cs1 ZINC000161508059 602194718 /nfs/dbraw/zinc/19/47/18/602194718.db2.gz KKFCRNQRYQMIII-UHFFFAOYSA-N -2 0 398.462 3.818 20 0 GHADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000739918649 602652283 /nfs/dbraw/zinc/65/22/83/602652283.db2.gz VNYYCGNYCYODCR-UHFFFAOYSA-N -2 0 391.232 3.893 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)c1 ZINC000227591779 604792415 /nfs/dbraw/zinc/79/24/15/604792415.db2.gz SFMYRWYNXLBZSM-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000833742011 605125600 /nfs/dbraw/zinc/12/56/00/605125600.db2.gz ZUFNPZNYNJNCCD-UHFFFAOYSA-N -2 0 397.808 3.810 20 0 GHADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000833741234 605126541 /nfs/dbraw/zinc/12/65/41/605126541.db2.gz CYFCHRWBEXMFHV-UHFFFAOYSA-N -2 0 383.344 3.713 20 0 GHADRL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000833430376 605138934 /nfs/dbraw/zinc/13/89/34/605138934.db2.gz OTPMJMIFYIUYJZ-UHFFFAOYSA-N -2 0 388.898 3.884 20 0 GHADRL O=C([O-])C1CCC(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CC1 ZINC000833772248 605216133 /nfs/dbraw/zinc/21/61/33/605216133.db2.gz LVZJNLGSRJFRAX-UHFFFAOYSA-N -2 0 376.634 3.638 20 0 GHADRL C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC[C@@H]1NC(=O)[O-] ZINC000826034366 605645050 /nfs/dbraw/zinc/64/50/50/605645050.db2.gz IWILRDDXPIKSGW-PXAZEXFGSA-N -2 0 388.851 3.831 20 0 GHADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000547955857 837879193 /nfs/dbraw/zinc/87/91/93/837879193.db2.gz FUEKVCJWTHFLDL-AWEZNQCLSA-N -2 0 384.457 3.922 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000556351743 838297958 /nfs/dbraw/zinc/29/79/58/838297958.db2.gz DZRHLVAFJLOIFU-UHFFFAOYSA-N -2 0 375.830 3.700 20 0 GHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c1 ZINC000487350383 841554261 /nfs/dbraw/zinc/55/42/61/841554261.db2.gz DVNDLRDOYGGUDK-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)sc1C(=O)[O-] ZINC000048382588 842180747 /nfs/dbraw/zinc/18/07/47/842180747.db2.gz GGTAVKOTPGIOFQ-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)s1 ZINC000132372829 843807479 /nfs/dbraw/zinc/80/74/79/843807479.db2.gz QUGLBNYPEHUNMC-UHFFFAOYSA-N -2 0 390.280 3.572 20 0 GHADRL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)cc1 ZINC000535895802 845059548 /nfs/dbraw/zinc/05/95/48/845059548.db2.gz HCTWACWBLCUWOE-NSHDSACASA-N -2 0 381.425 3.847 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c(C)c1C(=O)[O-] ZINC000512757601 845335041 /nfs/dbraw/zinc/33/50/41/845335041.db2.gz NOXVEKJPUUHFCH-UHFFFAOYSA-N -2 0 389.351 3.543 20 0 GHADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000512775039 845487098 /nfs/dbraw/zinc/48/70/98/845487098.db2.gz NLHVKJZQDUDGTF-UHFFFAOYSA-N -2 0 399.424 3.987 20 0 GHADRL CCCc1ccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])cc1 ZINC000505122288 850622814 /nfs/dbraw/zinc/62/28/14/850622814.db2.gz AZLWXPHUTFKCMH-UHFFFAOYSA-N -2 0 383.853 3.800 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000515201307 850778859 /nfs/dbraw/zinc/77/88/59/850778859.db2.gz WKDVINIVBGMDQT-UHFFFAOYSA-N -2 0 392.433 3.595 20 0 GHADRL COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000435737839 850825077 /nfs/dbraw/zinc/82/50/77/850825077.db2.gz MIHJAXWIRMTORF-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL Cc1csc(Nc2cccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2)n1 ZINC000519374105 850973893 /nfs/dbraw/zinc/97/38/93/850973893.db2.gz FTDXNHMNYAIRMR-UHFFFAOYSA-N -2 0 395.487 3.756 20 0 GHADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000434631630 851363375 /nfs/dbraw/zinc/36/33/75/851363375.db2.gz RKHCHYKKVNHFGE-CYBMUJFWSA-N -2 0 377.462 3.691 20 0 GHADRL CCC(=O)c1ccc([O-])c(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])c1 ZINC000436647240 852158505 /nfs/dbraw/zinc/15/85/05/852158505.db2.gz IWBOVGCEVKEAAL-UHFFFAOYSA-N -2 0 383.379 3.576 20 0 GHADRL CO[C@H](C)c1nc(=NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])s[n-]1 ZINC000436733454 852274957 /nfs/dbraw/zinc/27/49/57/852274957.db2.gz XGDHALIYFAQIMU-SNVBAGLBSA-N -2 0 389.864 3.946 20 0 GHADRL CCc1cc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)ccc1F ZINC000507561002 853053456 /nfs/dbraw/zinc/05/34/56/853053456.db2.gz BEILAUJYBJKSFF-UHFFFAOYSA-N -2 0 387.816 3.549 20 0 GHADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)s1 ZINC000439050849 853236622 /nfs/dbraw/zinc/23/66/22/853236622.db2.gz OJKIERSGBKYVPH-UHFFFAOYSA-N -2 0 395.502 3.894 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000032097150 854967737 /nfs/dbraw/zinc/96/77/37/854967737.db2.gz HYSWHTOQLBTOSL-UHFFFAOYSA-N -2 0 392.820 3.858 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cccc1C(=O)[O-] ZINC000485050854 856047316 /nfs/dbraw/zinc/04/73/16/856047316.db2.gz PBBQVIOMTJDQDT-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000591679645 856213307 /nfs/dbraw/zinc/21/33/07/856213307.db2.gz UEQGPHQHDFTLMT-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000060376647 856284822 /nfs/dbraw/zinc/28/48/22/856284822.db2.gz PWJBKYXWIHLBDN-UHFFFAOYSA-N -2 0 399.424 3.987 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1OC ZINC000674714299 856726812 /nfs/dbraw/zinc/72/68/12/856726812.db2.gz MJEGOVHPRDNHQL-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000542937765 856955380 /nfs/dbraw/zinc/95/53/80/856955380.db2.gz CJLGWHIAEOFDEP-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000499502925 857009621 /nfs/dbraw/zinc/00/96/21/857009621.db2.gz FGONXOKOXOVAOL-UHFFFAOYSA-N -2 0 396.396 3.587 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)sc1C(=O)[O-] ZINC000057119080 857147426 /nfs/dbraw/zinc/14/74/26/857147426.db2.gz KWXJNAKHGFBWLI-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL CC(C)CCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C(C)C ZINC000486101792 857411831 /nfs/dbraw/zinc/41/18/31/857411831.db2.gz ZGYSLQTUVZEECO-UHFFFAOYSA-N -2 0 397.472 3.691 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000486105673 857435430 /nfs/dbraw/zinc/43/54/30/857435430.db2.gz ZALAFMYTRASWIG-UHFFFAOYSA-N -2 0 393.509 3.860 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)sc1C(=O)[O-] ZINC000066813922 857972791 /nfs/dbraw/zinc/97/27/91/857972791.db2.gz DNWVIKOZIHKRTK-LLVKDONJSA-N -2 0 396.515 3.950 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2F)c[nH]1 ZINC000484116782 859811285 /nfs/dbraw/zinc/81/12/85/859811285.db2.gz OIOMDMOLYAJTIE-UHFFFAOYSA-N -2 0 393.371 3.536 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c(Cl)c1Cl ZINC000507620167 859829988 /nfs/dbraw/zinc/82/99/88/859829988.db2.gz YFUAVFLWKWJWQG-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1C ZINC000480214798 864277369 /nfs/dbraw/zinc/27/73/69/864277369.db2.gz DDGLPZYBNDXHGD-CYBMUJFWSA-N -2 0 393.509 3.516 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)cc1Cl ZINC000480245367 864309954 /nfs/dbraw/zinc/30/99/54/864309954.db2.gz IJAKZQZGJXBPTQ-UHFFFAOYSA-N -2 0 399.827 3.767 20 0 GHADRL Cc1cccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1C(=O)[O-] ZINC000554430695 864323788 /nfs/dbraw/zinc/32/37/88/864323788.db2.gz LCXYZKCIDYKTCK-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1 ZINC000184536629 864651186 /nfs/dbraw/zinc/65/11/86/864651186.db2.gz LLCLGRVPIWOIEE-UHFFFAOYSA-N -2 0 392.308 3.969 20 0 GHADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1c(F)ccc(C)c1C(=O)[O-] ZINC000534147524 866220893 /nfs/dbraw/zinc/22/08/93/866220893.db2.gz JWYQBADHIJQZBL-UHFFFAOYSA-N -2 0 381.356 3.827 20 0 GHADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])cn1 ZINC000501265260 866917140 /nfs/dbraw/zinc/91/71/40/866917140.db2.gz HBYIBFIODAHQJE-UHFFFAOYSA-N -2 0 391.474 3.692 20 0 GHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000479468189 867862348 /nfs/dbraw/zinc/86/23/48/867862348.db2.gz NDCITLDSSDKUGT-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)c(Cl)cc1C(=O)[O-] ZINC000479563134 868070028 /nfs/dbraw/zinc/07/00/28/868070028.db2.gz AFNAUZZFSQDTBB-UHFFFAOYSA-N -2 0 395.820 3.902 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2)c(Cl)cc1Cl ZINC001192403034 870376015 /nfs/dbraw/zinc/37/60/15/870376015.db2.gz ZFQJYAMFRSFOHY-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1Cl ZINC000746352816 870512286 /nfs/dbraw/zinc/51/22/86/870512286.db2.gz WRKIRYHBRWQDHI-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL CCOc1ccc(S(=O)(=O)Nc2cccc(-c3cccnc3)c2)cc1C(=O)[O-] ZINC001192638810 870583801 /nfs/dbraw/zinc/58/38/01/870583801.db2.gz DJGDNQWXYPEABT-UHFFFAOYSA-N -2 0 398.440 3.646 20 0 GHADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1C ZINC000775678225 872807591 /nfs/dbraw/zinc/80/75/91/872807591.db2.gz CAJANMNLFCETBF-JTQLQIEISA-N -2 0 385.873 3.623 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)c1 ZINC000742232948 872846437 /nfs/dbraw/zinc/84/64/37/872846437.db2.gz SNSWWKMVFFLMSE-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccn4ccnc4c3)cc2)c1 ZINC001196076388 872866044 /nfs/dbraw/zinc/86/60/44/872866044.db2.gz RRERSRJNVHEUMU-UHFFFAOYSA-N -2 0 393.424 3.500 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cccc4c3OCC4)cc2)c1 ZINC001196096491 872878259 /nfs/dbraw/zinc/87/82/59/872878259.db2.gz KDDXGNHJFYNJCQ-UHFFFAOYSA-N -2 0 395.436 3.788 20 0 GHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000541306025 873328157 /nfs/dbraw/zinc/32/81/57/873328157.db2.gz YDTSUGBJAVLXDM-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccc(F)c(Br)c1[O-] ZINC001197609050 873909678 /nfs/dbraw/zinc/90/96/78/873909678.db2.gz RJQPMMYLKJXIDJ-UHFFFAOYSA-N -2 0 396.184 3.514 20 0 GHADRL Cc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(O)c1Cl ZINC001198783090 874606208 /nfs/dbraw/zinc/60/62/08/874606208.db2.gz UWXSQRYOFYQEIO-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2c(F)cccc2Br)ccc1[S-] ZINC001201003706 875457866 /nfs/dbraw/zinc/45/78/66/875457866.db2.gz MQFZVIAYTANDHT-UHFFFAOYSA-N -2 0 392.271 3.686 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1Cl ZINC000788489700 878099542 /nfs/dbraw/zinc/09/95/42/878099542.db2.gz WPLYCXHGHJVPPV-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cnn1C(CC)CC ZINC000790419769 879699879 /nfs/dbraw/zinc/69/98/79/879699879.db2.gz ODPILZOCRLYEMO-UHFFFAOYSA-N -2 0 399.900 3.959 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ZINC000532843202 889067087 /nfs/dbraw/zinc/06/70/87/889067087.db2.gz FPQBSVQLNYDQDA-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c(Cl)cc1F ZINC000121741498 889116081 /nfs/dbraw/zinc/11/60/81/889116081.db2.gz MAFBVKHEPUPTHV-UHFFFAOYSA-N -2 0 379.743 3.565 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ncccc2Oc2ccccc2)cc1C(=O)[O-] ZINC001184659545 913348176 /nfs/dbraw/zinc/34/81/76/913348176.db2.gz INGNWONXJDKHSS-UHFFFAOYSA-N -2 0 384.413 3.681 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC2CCCC2)cc1C(=O)[O-] ZINC001184702790 913369165 /nfs/dbraw/zinc/36/91/65/913369165.db2.gz DXWPIXYJRPZKDB-UHFFFAOYSA-N -2 0 393.436 3.955 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533689660 891138078 /nfs/dbraw/zinc/13/80/78/891138078.db2.gz IOVVLTYXBBTKBO-UHFFFAOYSA-N -2 0 375.830 3.700 20 0 GHADRL CC(C)(C)[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC001185687037 914017947 /nfs/dbraw/zinc/01/79/47/914017947.db2.gz LJBIGADWBUYKTI-HNNXBMFYSA-N -2 0 382.869 3.750 20 0 GHADRL CSc1cc(C)nc(SC)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185871710 914132365 /nfs/dbraw/zinc/13/23/65/914132365.db2.gz UPVZMOIHCTUECH-UHFFFAOYSA-N -2 0 398.531 3.641 20 0 GHADRL Cc1cc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)ccc1O[C@H]1CCOC1 ZINC000568265075 897703856 /nfs/dbraw/zinc/70/38/56/897703856.db2.gz LPILGZYGYBLOPU-INIZCTEOSA-N -2 0 382.412 3.644 20 0 GHADRL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc2cccnc21 ZINC000821106723 897748219 /nfs/dbraw/zinc/74/82/19/897748219.db2.gz NLFYABAVXUOCSL-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)cc2s1 ZINC000156268512 899619514 /nfs/dbraw/zinc/61/95/14/899619514.db2.gz XNEQZGALPARUQA-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1NC(=O)c1ccc([O-])cc1F ZINC001186329652 914480456 /nfs/dbraw/zinc/48/04/56/914480456.db2.gz UFNOYJQHSNQYHH-UHFFFAOYSA-N -2 0 393.370 3.642 20 0 GHADRL Cc1cc(Br)c([O-])c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000190337079 905983721 /nfs/dbraw/zinc/98/37/21/905983721.db2.gz WHJSIKPXAHGZNY-UHFFFAOYSA-N -2 0 396.262 3.638 20 0 GHADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc3ccccc3c(C(=O)[O-])c2)cc1C ZINC000629291274 906682180 /nfs/dbraw/zinc/68/21/80/906682180.db2.gz CCOHPBXQOSLRMO-GFCCVEGCSA-N -2 0 387.461 3.815 20 0 GHADRL CC(C)(C)OC(=O)NCc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176242223 908000726 /nfs/dbraw/zinc/00/07/26/908000726.db2.gz QWGKXOMTIJONJT-UHFFFAOYSA-N -2 0 386.404 3.851 20 0 GHADRL CCOC(=O)c1ccc2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2n1 ZINC001176244128 908003241 /nfs/dbraw/zinc/00/32/41/908003241.db2.gz GGWBJMKWYZSQBQ-UHFFFAOYSA-N -2 0 380.356 3.552 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC001188272462 915865524 /nfs/dbraw/zinc/86/55/24/915865524.db2.gz AZZZHORMXWRCEO-UHFFFAOYSA-N -2 0 387.200 3.634 20 0 GHADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000649467326 916178079 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ZINC000326843178 1034269768 /nfs/dbraw/zinc/26/97/68/1034269768.db2.gz CTURMNHOQGNDAJ-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL COC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C(F)(F)F)cc1OC ZINC001242162893 1035837821 /nfs/dbraw/zinc/83/78/21/1035837821.db2.gz MABUSMWKVXVFBS-UHFFFAOYSA-N -2 0 398.289 3.564 20 0 GHADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C(=O)OCc3ccccc3)cn2)c1 ZINC001242160528 1035838058 /nfs/dbraw/zinc/83/80/58/1035838058.db2.gz MNQPHCZSAIZEDY-UHFFFAOYSA-N -2 0 377.352 3.502 20 0 GHADRL CC(C)C(=O)OCC(C)(C)[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C(C)C ZINC001234333779 1039971791 /nfs/dbraw/zinc/97/17/91/1039971791.db2.gz ZEDRSWOUASCLPQ-INIZCTEOSA-N -2 0 388.397 3.787 20 0 GHADRL O=c1[n-]c(F)c(Cl)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1Cl ZINC001256401944 1041719692 /nfs/dbraw/zinc/71/96/92/1041719692.db2.gz QSRLMWFANFBRLD-UHFFFAOYSA-N -2 0 377.633 3.749 20 0 GHADRL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1ccc(F)c(F)c1F ZINC001259079934 1044950994 /nfs/dbraw/zinc/95/09/94/1044950994.db2.gz AKCQOXBQRDFSOA-UHFFFAOYSA-N -2 0 398.225 3.956 20 0 GHADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220292 1045017797 /nfs/dbraw/zinc/01/77/97/1045017797.db2.gz BGYNEMKAVXZBFQ-UHFFFAOYSA-N -2 0 387.816 3.767 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3ncc(Cl)cc23)c1 ZINC001260216270 1045417447 /nfs/dbraw/zinc/41/74/47/1045417447.db2.gz YYNPNJRGNBXUOK-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=S(=O)([N-]c1ccccc1[S-])c1cc(F)c(Br)cc1F ZINC001260253775 1045429498 /nfs/dbraw/zinc/42/94/98/1045429498.db2.gz VEVOSBRTYKZZRG-UHFFFAOYSA-N -2 0 380.235 3.817 20 0 GHADRL O=S(=O)([N-]c1ccc(F)c(O)c1)c1cc(Br)c(Cl)s1 ZINC001260490975 1045513962 /nfs/dbraw/zinc/51/39/62/1045513962.db2.gz PZWNHSSBONHUHF-UHFFFAOYSA-N -2 0 386.651 3.810 20 0 GHADRL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260877518 1045734054 /nfs/dbraw/zinc/73/40/54/1045734054.db2.gz YZZCVZKSUXRBAG-UHFFFAOYSA-N -2 0 390.244 3.595 20 0 GHADRL C[C@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2)C1 ZINC000736783357 599738637 /nfs/dbraw/zinc/73/86/37/599738637.db2.gz YOFYMANFLHSDMI-BBRMVZONSA-N -2 0 393.461 3.874 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c(Cl)c1 ZINC000393222760 599747129 /nfs/dbraw/zinc/74/71/29/599747129.db2.gz RTRJLWDYWRAHJS-UHFFFAOYSA-N -2 0 376.821 3.630 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000738463175 599876776 /nfs/dbraw/zinc/87/67/76/599876776.db2.gz AZMIZOOLATWYFU-UHFFFAOYSA-N -2 0 396.490 3.540 20 0 GHADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000739874115 599927808 /nfs/dbraw/zinc/92/78/08/599927808.db2.gz LVCHUGXZYYHNIQ-UHFFFAOYSA-N -2 0 389.857 3.598 20 0 GHADRL C[C@@](CC(=O)[O-])(C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000736551995 599981773 /nfs/dbraw/zinc/98/17/73/599981773.db2.gz YYGWESWMRBQEHI-UTKZUKDTSA-N -2 0 375.465 3.770 20 0 GHADRL COCc1ccccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000327282387 600052792 /nfs/dbraw/zinc/05/27/92/600052792.db2.gz UUOKHTVSNJOKCX-UHFFFAOYSA-N -2 0 377.443 3.547 20 0 GHADRL CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)sc2C1 ZINC000736972003 600055680 /nfs/dbraw/zinc/05/56/80/600055680.db2.gz DWSDEHGWFZHYBI-LLVKDONJSA-N -2 0 380.491 3.547 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)cn2)s1 ZINC000740187708 600104348 /nfs/dbraw/zinc/10/43/48/600104348.db2.gz PWBKTIIPSXFQPZ-UHFFFAOYSA-N -2 0 394.405 3.574 20 0 GHADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737027626 600233175 /nfs/dbraw/zinc/23/31/75/600233175.db2.gz GJQZRPPHQVLQCK-UHFFFAOYSA-N -2 0 385.388 3.561 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c(C(=O)[O-])[nH]1 ZINC000738464038 600255813 /nfs/dbraw/zinc/25/58/13/600255813.db2.gz XZILDZCZKRLUMQ-UHFFFAOYSA-N -2 0 397.865 3.599 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(ccc4c3CCCC4)s2)cc1 ZINC000740186996 600361807 /nfs/dbraw/zinc/36/18/07/600361807.db2.gz BOYGURPPHZYRRM-UHFFFAOYSA-N -2 0 388.470 3.674 20 0 GHADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1Cl ZINC000436998875 600391763 /nfs/dbraw/zinc/39/17/63/600391763.db2.gz ZOCNZOFAPDYFGY-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000484977897 600487577 /nfs/dbraw/zinc/48/75/77/600487577.db2.gz YURNGEMPIBDGKF-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)cs1 ZINC000606828533 600683819 /nfs/dbraw/zinc/68/38/19/600683819.db2.gz VYYZSXYFJIGXSN-UHFFFAOYSA-N -2 0 381.475 3.706 20 0 GHADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)n2)cc1 ZINC000827112711 600716634 /nfs/dbraw/zinc/71/66/34/600716634.db2.gz MQFGTABMZNJXFH-KRWDZBQOSA-N -2 0 391.427 3.530 20 0 GHADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)cc1C(=O)[O-] ZINC000327056329 600810559 /nfs/dbraw/zinc/81/05/59/600810559.db2.gz ZVDMAQAROXOGAJ-UHFFFAOYSA-N -2 0 380.491 3.559 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C(C)(C)C)ccc1C(=O)[O-] ZINC000738477037 600891958 /nfs/dbraw/zinc/89/19/58/600891958.db2.gz ANEGPOZISKEYEN-UHFFFAOYSA-N -2 0 393.509 3.743 20 0 GHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)c2n1 ZINC000738674867 600892546 /nfs/dbraw/zinc/89/25/46/600892546.db2.gz DFQSZDWTOJEJKJ-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000740136798 600896993 /nfs/dbraw/zinc/89/69/93/600896993.db2.gz YADAFJSLYSPIGQ-UHFFFAOYSA-N -2 0 393.770 3.944 20 0 GHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)s1 ZINC000460825455 601047955 /nfs/dbraw/zinc/04/79/55/601047955.db2.gz XFTDMKBCUSMNPK-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000740133780 601051219 /nfs/dbraw/zinc/05/12/19/601051219.db2.gz DCBBHIAFPFTDPO-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3)nc2)cc1C(=O)[O-] ZINC000832953150 601232103 /nfs/dbraw/zinc/23/21/03/601232103.db2.gz AHQHCCYNTZIBFN-UHFFFAOYSA-N -2 0 388.401 3.583 20 0 GHADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000391870867 601325307 /nfs/dbraw/zinc/32/53/07/601325307.db2.gz ZHYSDMKIGLVQIJ-UHFFFAOYSA-N -2 0 390.244 3.891 20 0 GHADRL Cn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3Cl)cc21 ZINC000755258411 601325940 /nfs/dbraw/zinc/32/59/40/601325940.db2.gz GSMJMDONQCUQIE-UHFFFAOYSA-N -2 0 399.255 3.984 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c1C ZINC000832866154 601329529 /nfs/dbraw/zinc/32/95/29/601329529.db2.gz HBVQIHFBHXHJLD-UHFFFAOYSA-N -2 0 377.466 3.504 20 0 GHADRL CCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000830299165 601360043 /nfs/dbraw/zinc/36/00/43/601360043.db2.gz LNJFWBIANZRCPV-UHFFFAOYSA-N -2 0 381.262 3.511 20 0 GHADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1O ZINC000755257719 601604426 /nfs/dbraw/zinc/60/44/26/601604426.db2.gz LOHXVAWBSVYWGQ-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(C)n1 ZINC000321527546 601771075 /nfs/dbraw/zinc/77/10/75/601771075.db2.gz MIWJYQLDURGKMY-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c(Cl)cc1F ZINC000195197646 601834985 /nfs/dbraw/zinc/83/49/85/601834985.db2.gz YASPIBPDQGGSKB-UHFFFAOYSA-N -2 0 386.813 3.588 20 0 GHADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000832855814 602113167 /nfs/dbraw/zinc/11/31/67/602113167.db2.gz DVAGKAQAVNTQOZ-UHFFFAOYSA-N -2 0 377.393 3.698 20 0 GHADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(C(C)(C)C)s2)NC(=O)N1CCCCC(=O)[O-] ZINC000828136010 604406111 /nfs/dbraw/zinc/40/61/11/604406111.db2.gz QVZKMVRNNAOUEU-MRXNPFEDSA-N -2 0 394.493 3.725 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1Br ZINC000548538691 604992159 /nfs/dbraw/zinc/99/21/59/604992159.db2.gz IUJRIMTVIFCMLP-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL Cc1cccc2sc([N-]S(=O)(=O)c3cccc4c3ccnc4C(=O)[O-])nc21 ZINC000833752910 605183192 /nfs/dbraw/zinc/18/31/92/605183192.db2.gz FCIARVNBURMWTN-UHFFFAOYSA-N -2 0 399.453 3.652 20 0 GHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000181758522 605328753 /nfs/dbraw/zinc/32/87/53/605328753.db2.gz OUSBVFCGIFCQRR-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC[C@@H]1NC(=O)[O-] ZINC000826034367 605645027 /nfs/dbraw/zinc/64/50/27/605645027.db2.gz IWILRDDXPIKSGW-SJCJKPOMSA-N -2 0 388.851 3.831 20 0 GHADRL C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC[C@H]1NC(=O)[O-] ZINC000826034369 605645202 /nfs/dbraw/zinc/64/52/02/605645202.db2.gz IWILRDDXPIKSGW-YVEFUNNKSA-N -2 0 388.851 3.831 20 0 GHADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000471106766 834437263 /nfs/dbraw/zinc/43/72/63/834437263.db2.gz CAIGZVKZASOGGA-UHFFFAOYSA-N -2 0 393.461 3.600 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(C)c(C)cc3C)[nH]n2)cc1C(=O)[O-] ZINC000612037984 835422651 /nfs/dbraw/zinc/42/26/51/835422651.db2.gz PULDAOPWMVDFRR-UHFFFAOYSA-N -2 0 399.472 3.809 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000327556622 835812406 /nfs/dbraw/zinc/81/24/06/835812406.db2.gz ZKOMPZXZFQVRAI-UHFFFAOYSA-N -2 0 395.380 3.741 20 0 GHADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000471965059 844131479 /nfs/dbraw/zinc/13/14/79/844131479.db2.gz CBCNMGXZCWGAJJ-UHFFFAOYSA-N -2 0 394.207 3.646 20 0 GHADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000547955858 837879652 /nfs/dbraw/zinc/87/96/52/837879652.db2.gz FUEKVCJWTHFLDL-CQSZACIVSA-N -2 0 384.457 3.922 20 0 GHADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000122144115 838483693 /nfs/dbraw/zinc/48/36/93/838483693.db2.gz AAXQKRRVXMUNEN-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1C(=O)[O-] ZINC000318765951 840217146 /nfs/dbraw/zinc/21/71/46/840217146.db2.gz FMKGNHRRQBFPTL-UHFFFAOYSA-N -2 0 382.246 3.563 20 0 GHADRL COCCCOc1ccc(-c2cccc(-n3[n-]c(C)c(CC(=O)[O-])c3=O)c2)cc1 ZINC000657206945 845198618 /nfs/dbraw/zinc/19/86/18/845198618.db2.gz FBGUYICVVDKXDK-FQEVSTJZSA-N -2 0 396.443 3.582 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000489311710 852210086 /nfs/dbraw/zinc/21/00/86/852210086.db2.gz HUBGGNFXBZBDHV-UHFFFAOYSA-N -2 0 385.388 3.910 20 0 GHADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438750585 852817629 /nfs/dbraw/zinc/81/76/29/852817629.db2.gz GXEZCQKOHTWMGZ-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000440815188 853635073 /nfs/dbraw/zinc/63/50/73/853635073.db2.gz HKJXOMPQQXIZLB-UHFFFAOYSA-N -2 0 381.425 3.676 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)cc1C(=O)[O-] ZINC000674755167 856772016 /nfs/dbraw/zinc/77/20/16/856772016.db2.gz SEBRFDLVONNLOJ-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)n[nH]1 ZINC000485877952 857179006 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CC1=C(C(=O)[O-])[C@H](c2cccc(Cl)c2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000828134309 601854337 /nfs/dbraw/zinc/85/43/37/601854337.db2.gz FVGZGYXGRSIDNL-INIZCTEOSA-N -2 0 398.818 3.549 20 0 GHADRL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)ccc21 ZINC000740528644 602246231 /nfs/dbraw/zinc/24/62/31/602246231.db2.gz BIFITXKPLGVULP-UHFFFAOYSA-N -2 0 387.244 3.835 20 0 GHADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000833784637 605052672 /nfs/dbraw/zinc/05/26/72/605052672.db2.gz GQWWVPWVVADZHD-UHFFFAOYSA-N -2 0 385.772 3.919 20 0 GHADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C)c(Br)c1 ZINC000833750919 605128253 /nfs/dbraw/zinc/12/82/53/605128253.db2.gz HLVXQSVKNYEIKF-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833508364 605148864 /nfs/dbraw/zinc/14/88/64/605148864.db2.gz ZCNKXDLGRPDFIE-UHFFFAOYSA-N -2 0 386.429 3.521 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)c(C(=O)[O-])c1 ZINC000833751125 605186387 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GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)sc1C(=O)[O-] ZINC000432190551 841010325 /nfs/dbraw/zinc/01/03/25/841010325.db2.gz GEUPGLXWBJBDIQ-UHFFFAOYSA-N -2 0 378.431 3.574 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000564882777 841085771 /nfs/dbraw/zinc/08/57/71/841085771.db2.gz NVWDBGLZWGVKFA-UHFFFAOYSA-N -2 0 399.538 3.922 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000042676950 841103935 /nfs/dbraw/zinc/10/39/35/841103935.db2.gz JXWKJYOEZINDRP-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000467761397 842137007 /nfs/dbraw/zinc/13/70/07/842137007.db2.gz YPZALUXEBLWQND-UHFFFAOYSA-N -2 0 395.380 3.583 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2F)cc(Cl)c1Cl ZINC000481430613 861372633 /nfs/dbraw/zinc/37/26/33/861372633.db2.gz BOACTQJSDNHXBJ-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000430978066 843358264 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GHADRL COc1cc(Br)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C ZINC001176244342 908003296 /nfs/dbraw/zinc/00/32/96/908003296.db2.gz JUGJJOVCZVUCCM-UHFFFAOYSA-N -2 0 380.194 3.906 20 0 GHADRL CC(=O)Nc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001176244533 908003322 /nfs/dbraw/zinc/00/33/22/908003322.db2.gz LNRRIJLFWKWZRZ-UHFFFAOYSA-N -2 0 382.294 3.804 20 0 GHADRL CCOc1cc(Br)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176245042 908004102 /nfs/dbraw/zinc/00/41/02/908004102.db2.gz RGSSORGGBFSYKT-UHFFFAOYSA-N -2 0 380.194 3.988 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c1 ZINC001187548541 915345261 /nfs/dbraw/zinc/34/52/61/915345261.db2.gz RKWKYVATAHDHRN-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ccncc3)cc2)c1 ZINC001187582563 915376639 /nfs/dbraw/zinc/37/66/39/915376639.db2.gz UGCGUKSZVJRZFY-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187582095 915376860 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Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000604304304 862068861 /nfs/dbraw/zinc/06/88/61/862068861.db2.gz WEZKFCROHMYXHU-UHFFFAOYSA-N -2 0 393.509 3.877 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Sc2ccncc2)cc1 ZINC000435136987 850121093 /nfs/dbraw/zinc/12/10/93/850121093.db2.gz IXKBFDRBAGZMRY-UHFFFAOYSA-N -2 0 390.442 3.633 20 0 GHADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1)C(=O)[O-] ZINC000504666349 850222648 /nfs/dbraw/zinc/22/26/48/850222648.db2.gz RZPNZGQDRSYMJI-SNVBAGLBSA-N -2 0 394.499 3.662 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1F ZINC000488327993 851398936 /nfs/dbraw/zinc/39/89/36/851398936.db2.gz WEHZEMXHLUKDPY-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000111278961 851631591 /nfs/dbraw/zinc/63/15/91/851631591.db2.gz NLPXJEAZFCMPBP-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000057733515 855641469 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GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000060417580 859246087 /nfs/dbraw/zinc/24/60/87/859246087.db2.gz JCMUYJDWRWVLJN-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc(C(=O)[O-])c1 ZINC000507586423 859830089 /nfs/dbraw/zinc/83/00/89/859830089.db2.gz WRJVXLVNWMGVQP-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)s1 ZINC000507634410 859830502 /nfs/dbraw/zinc/83/05/02/859830502.db2.gz IQAYMBAKBKIHIY-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000172014163 863128505 /nfs/dbraw/zinc/12/85/05/863128505.db2.gz INQOPFKGUBVPHZ-UHFFFAOYSA-N -2 0 381.624 3.541 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1C(CC)CC ZINC000480235347 864320152 /nfs/dbraw/zinc/32/01/52/864320152.db2.gz XYUCPRLDQNDVHQ-UHFFFAOYSA-N -2 0 399.900 3.959 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000499263718 881798424 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CC1=C(C(=O)[O-])[C@H](c2ccc(F)c(Cl)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000833577008 604556895 /nfs/dbraw/zinc/55/68/95/604556895.db2.gz NYUUSCIDNVPZTK-INIZCTEOSA-N -2 0 398.818 3.549 20 0 GHADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833651828 605124855 /nfs/dbraw/zinc/12/48/55/605124855.db2.gz CJHCDJBINYTCKM-UHFFFAOYSA-N -2 0 389.473 3.701 20 0 GHADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000833741590 605125829 /nfs/dbraw/zinc/12/58/29/605125829.db2.gz SIVCEHCUMWJIOD-UHFFFAOYSA-N -2 0 383.344 3.713 20 0 GHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C(C)C ZINC000766327121 605151094 /nfs/dbraw/zinc/15/10/94/605151094.db2.gz PAYJPRXVSXGIHM-UHFFFAOYSA-N -2 0 399.900 3.815 20 0 GHADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000777934710 605289071 /nfs/dbraw/zinc/28/90/71/605289071.db2.gz VGERERJDBARRMY-UHFFFAOYSA-N -2 0 389.260 3.551 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c1Br ZINC000830531949 605473030 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3.891 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c(C)c1C(=O)[O-] ZINC000512780727 845511008 /nfs/dbraw/zinc/51/10/08/845511008.db2.gz FVNSJXZQHHXFIB-UHFFFAOYSA-N -2 0 381.425 3.729 20 0 GHADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000548611602 845798705 /nfs/dbraw/zinc/79/87/05/845798705.db2.gz RJCZSZQPOYPZNK-UHFFFAOYSA-N -2 0 381.413 3.524 20 0 GHADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000161434593 848601182 /nfs/dbraw/zinc/60/11/82/848601182.db2.gz FFCVUUKBRQLFJB-UHFFFAOYSA-N -2 0 375.418 3.823 20 0 GHADRL COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000005134956 848951170 /nfs/dbraw/zinc/95/11/70/848951170.db2.gz WPEJSQUVKVCKFN-UHFFFAOYSA-N -2 0 391.489 3.811 20 0 GHADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000111278935 851630897 /nfs/dbraw/zinc/63/08/97/851630897.db2.gz JBPFGCLOKABEDR-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000489015988 851926509 /nfs/dbraw/zinc/92/65/09/851926509.db2.gz BZJDSULXDOURLN-UHFFFAOYSA-N -2 0 394.396 3.532 20 0 GHADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000436891356 852463434 /nfs/dbraw/zinc/46/34/34/852463434.db2.gz GDZQIOUCOWGFDY-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c(F)c1 ZINC000438809803 852891239 /nfs/dbraw/zinc/89/12/39/852891239.db2.gz MMQXFAMDSKWCHK-UHFFFAOYSA-N -2 0 379.409 3.646 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000156343309 853664805 /nfs/dbraw/zinc/66/48/05/853664805.db2.gz UDOANCDMZDUHON-UHFFFAOYSA-N -2 0 391.342 3.738 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)sc1C(=O)[O-] ZINC000481980643 862590846 /nfs/dbraw/zinc/59/08/46/862590846.db2.gz LPPCQBCEZIRLOS-UHFFFAOYSA-N -2 0 385.438 3.626 20 0 GHADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2F)c1 ZINC000674335604 856181902 /nfs/dbraw/zinc/18/19/02/856181902.db2.gz PBBWKWKSAKMUGV-UHFFFAOYSA-N -2 0 387.388 3.697 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1C1CC1 ZINC000536491468 856243287 /nfs/dbraw/zinc/24/32/87/856243287.db2.gz LRJZIBYLWXSERK-CYBMUJFWSA-N -2 0 391.493 3.847 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c(F)c1 ZINC000441764219 856276935 /nfs/dbraw/zinc/27/69/35/856276935.db2.gz QMKFZIFVQRYESW-UHFFFAOYSA-N -2 0 391.342 3.820 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181283793 862821725 /nfs/dbraw/zinc/82/17/25/862821725.db2.gz KHABBPQSZOFUHM-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC1CCCC1 ZINC000676233525 857797116 /nfs/dbraw/zinc/79/71/16/857797116.db2.gz GLFHHCJNLXJHTC-UHFFFAOYSA-N -2 0 383.397 3.548 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(F)cc1F ZINC000120323716 881382238 /nfs/dbraw/zinc/38/22/38/881382238.db2.gz MCVZPUIIOHROAD-UHFFFAOYSA-N -2 0 395.305 3.791 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000484976284 860550330 /nfs/dbraw/zinc/55/03/30/860550330.db2.gz UUIRMQMKOXLKDZ-UHFFFAOYSA-N -2 0 375.855 3.689 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc(C(F)(F)F)c1 ZINC000792702690 881629007 /nfs/dbraw/zinc/62/90/07/881629007.db2.gz XFSYSITVGCALRM-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CC(C)CCn1ncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C(C)C ZINC000792704495 881632126 /nfs/dbraw/zinc/63/21/26/881632126.db2.gz COWKPQBPPOOEMT-UHFFFAOYSA-N -2 0 397.472 3.691 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)cc1C(=O)[O-] ZINC000499276585 881860012 /nfs/dbraw/zinc/86/00/12/881860012.db2.gz ZEJVTSMPQOTAJH-UHFFFAOYSA-N -2 0 393.509 3.778 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000534332022 866574547 /nfs/dbraw/zinc/57/45/47/866574547.db2.gz FWQLMPMOZCACGU-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])n2)cc1 ZINC000478859114 866754401 /nfs/dbraw/zinc/75/44/01/866754401.db2.gz WIOIDQDLEPZTOY-JQHSSLGASA-N -2 0 397.475 3.559 20 0 GHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1C(=O)[O-] ZINC000479247426 867406156 /nfs/dbraw/zinc/40/61/56/867406156.db2.gz PVROULJKGJXTTI-UHFFFAOYSA-N -2 0 378.837 3.639 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc([S-])cc2)c(Cl)cc1Cl ZINC001192429375 870355322 /nfs/dbraw/zinc/35/53/22/870355322.db2.gz ADCNBIDENHZGLE-UHFFFAOYSA-N -2 0 378.258 3.781 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccnc(Cl)c2F)c(Cl)cc1Cl ZINC001192402687 870371626 /nfs/dbraw/zinc/37/16/26/870371626.db2.gz UKXZTBJIEQTRGN-UHFFFAOYSA-N -2 0 399.614 3.680 20 0 GHADRL CCOc1ccc(S(=O)(=O)Nc2c([S-])cccc2Cl)cc1C(=O)[O-] ZINC001192648780 870556014 /nfs/dbraw/zinc/55/60/14/870556014.db2.gz HOZFCYOLVSIMDJ-UHFFFAOYSA-N -2 0 387.866 3.526 20 0 GHADRL CCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccco3)cc2)cc1C(=O)[O-] ZINC001192639923 870583550 /nfs/dbraw/zinc/58/35/50/870583550.db2.gz KYIJDQRUYGXWPY-UHFFFAOYSA-N -2 0 387.413 3.844 20 0 GHADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000766577431 871140751 /nfs/dbraw/zinc/14/07/51/871140751.db2.gz LATJIKBAPKVSEG-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)sc1C ZINC000539114761 871335200 /nfs/dbraw/zinc/33/52/00/871335200.db2.gz HEPGVWDNNATLDL-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cnn1-c1ccccc1 ZINC000525968768 871817828 /nfs/dbraw/zinc/81/78/28/871817828.db2.gz GPMCQFAUIBVMRQ-UHFFFAOYSA-N -2 0 399.472 3.551 20 0 GHADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cc1C ZINC000775678226 872807393 /nfs/dbraw/zinc/80/73/93/872807393.db2.gz CAJANMNLFCETBF-SNVBAGLBSA-N -2 0 385.873 3.623 20 0 GHADRL Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(Br)cc1[S-] ZINC001201765329 875848207 /nfs/dbraw/zinc/84/82/07/875848207.db2.gz SJIZUAPVGIGJBR-UHFFFAOYSA-N -2 0 399.744 3.957 20 0 GHADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c2ccccc2n1C ZINC000551477904 877287184 /nfs/dbraw/zinc/28/71/84/877287184.db2.gz VFZNKTFFSYJSKM-UHFFFAOYSA-N -2 0 386.473 3.650 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c1Cl ZINC000788062683 877806890 /nfs/dbraw/zinc/80/68/90/877806890.db2.gz OCBKVBXSIJMHNJ-UHFFFAOYSA-N -2 0 378.837 3.639 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(Cl)c1Cl ZINC000460822101 878619368 /nfs/dbraw/zinc/61/93/68/878619368.db2.gz DAYVSINKDFHBMG-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531247471 879410641 /nfs/dbraw/zinc/41/06/41/879410641.db2.gz RVWFHVFMHPYHLJ-UHFFFAOYSA-N -2 0 381.793 3.594 20 0 GHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790393957 879664539 /nfs/dbraw/zinc/66/45/39/879664539.db2.gz MRWFOPIYJWNECE-UHFFFAOYSA-N -2 0 399.852 3.555 20 0 GHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185281633 880528092 /nfs/dbraw/zinc/52/80/92/880528092.db2.gz RAPYYWZDLBCOJY-UHFFFAOYSA-N -2 0 376.409 3.515 20 0 GHADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000806633955 884887812 /nfs/dbraw/zinc/88/78/12/884887812.db2.gz CGFSYTIMLFKGAQ-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000794581733 887538038 /nfs/dbraw/zinc/53/80/38/887538038.db2.gz TYUQCIHJQDRKEP-UHFFFAOYSA-N -2 0 385.800 3.571 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000563641344 894006215 /nfs/dbraw/zinc/00/62/15/894006215.db2.gz GMQDEVNPASDHLV-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc(Cl)c1F ZINC000778565786 896797807 /nfs/dbraw/zinc/79/78/07/896797807.db2.gz AYJUXOFBTKMXNR-UHFFFAOYSA-N -2 0 394.811 3.973 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(C(=O)[O-])c1 ZINC000568090305 897585506 /nfs/dbraw/zinc/58/55/06/897585506.db2.gz CDWUZUAHOOVVRH-UHFFFAOYSA-N -2 0 375.780 3.734 20 0 GHADRL Cc1cc(OC(F)(F)F)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186133619 914322400 /nfs/dbraw/zinc/32/24/00/914322400.db2.gz RWLCQMYNZDWKPG-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(F)(F)F)ccc1F ZINC001186191675 914351415 /nfs/dbraw/zinc/35/14/15/914351415.db2.gz ZNAAHUKSLGQEGF-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)cc(C(=O)[O-])c1C ZINC000573554979 900557663 /nfs/dbraw/zinc/55/76/63/900557663.db2.gz FXTHRTWUDADARW-UHFFFAOYSA-N -2 0 391.493 3.584 20 0 GHADRL COC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001176238089 907999647 /nfs/dbraw/zinc/99/96/47/907999647.db2.gz MTSFQYNWZNPNBX-UHFFFAOYSA-N -2 0 383.278 3.632 20 0 GHADRL CC(=O)c1ccc(Br)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176242073 908001572 /nfs/dbraw/zinc/00/15/72/908001572.db2.gz MFUMKDGWIOCKIB-UHFFFAOYSA-N -2 0 378.178 3.792 20 0 GHADRL O=C([O-])C1(c2ccc(Nc3c(O)cc(S(=O)(=O)[O-])c4ccccc43)cc2)CC1 ZINC001176590402 908171369 /nfs/dbraw/zinc/17/13/69/908171369.db2.gz RZFKHFWSJHCVSB-UHFFFAOYSA-N -2 0 399.424 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CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1O ZINC000479570493 868028445 /nfs/dbraw/zinc/02/84/45/868028445.db2.gz ZHXXCGYHFFNSAI-UHFFFAOYSA-N -2 0 377.462 3.508 20 0 GHADRL Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)cc2s1 ZINC000156268652 868307803 /nfs/dbraw/zinc/30/78/03/868307803.db2.gz HZZKDLUOIGCLIF-UHFFFAOYSA-N -2 0 380.422 3.551 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2[S-])c(Cl)cc1Cl ZINC001192429478 870356404 /nfs/dbraw/zinc/35/64/04/870356404.db2.gz DRWQZWISAAEPOA-UHFFFAOYSA-N -2 0 378.258 3.781 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2[S-])c(Cl)cc1F ZINC001194012086 871431827 /nfs/dbraw/zinc/43/18/27/871431827.db2.gz ZPSDCRXQAQZYJR-UHFFFAOYSA-N -2 0 396.248 3.920 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2[S-])c(Cl)cc1F ZINC001194001358 871456238 /nfs/dbraw/zinc/45/62/38/871456238.db2.gz CINFFXMQWVCLIR-UHFFFAOYSA-N -2 0 396.248 3.920 20 0 GHADRL COc1cc(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)ccc1OCCC(=O)[O-] ZINC000463345266 871493810 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GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2ccccc2c1C(F)(F)F ZINC001198746687 874595733 /nfs/dbraw/zinc/59/57/33/874595733.db2.gz INMHINLYZXBBMX-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1OC(F)(F)F ZINC001198779588 874629775 /nfs/dbraw/zinc/62/97/75/874629775.db2.gz RYAFIQJYHYKIIC-UHFFFAOYSA-N -2 0 395.742 3.738 20 0 GHADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000542237066 875198430 /nfs/dbraw/zinc/19/84/30/875198430.db2.gz SVCCKCZJMNMBGX-CYBMUJFWSA-N -2 0 386.429 3.721 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])cc1F ZINC000475731583 882909890 /nfs/dbraw/zinc/90/98/90/882909890.db2.gz ODHGAMAOUQQCOX-UHFFFAOYSA-N -2 0 375.780 3.734 20 0 GHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC000475734711 882926205 /nfs/dbraw/zinc/92/62/05/882926205.db2.gz ZOIZMUFGHMPKBD-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000551473824 877262221 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391.342 3.960 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)sc1C(=O)[O-] ZINC000475825039 884324064 /nfs/dbraw/zinc/32/40/64/884324064.db2.gz FSILKSFWMYRJHQ-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c(Cl)c1 ZINC000328013112 884328695 /nfs/dbraw/zinc/32/86/95/884328695.db2.gz LLXMPRMJUUDHTQ-UHFFFAOYSA-N -2 0 394.861 3.963 20 0 GHADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1O ZINC000762457668 886237404 /nfs/dbraw/zinc/23/74/04/886237404.db2.gz ZQPCECWSHZYVSP-UHFFFAOYSA-N -2 0 390.244 3.815 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1C1CC1 ZINC000762473323 886256654 /nfs/dbraw/zinc/25/66/54/886256654.db2.gz CXOXIHXMGNFPLT-SECBINFHSA-N -2 0 399.419 3.509 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2scnc2C2CC2)cc(Cl)c1Cl ZINC000762477761 886268289 /nfs/dbraw/zinc/26/82/89/886268289.db2.gz ZNZJZUVPMKAIPB-UHFFFAOYSA-N -2 0 393.273 3.826 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(SCCC(=O)[O-])c1 ZINC000460452219 886624956 /nfs/dbraw/zinc/62/49/56/886624956.db2.gz WRIBSBHZBQVFQN-UHFFFAOYSA-N -2 0 387.429 3.641 20 0 GHADRL Cc1[n-]n(-c2cccc(-c3ccc(C4(O)CCC4)cc3)c2)c(=O)c1CC(=O)[O-] ZINC000864612042 887886158 /nfs/dbraw/zinc/88/61/58/887886158.db2.gz IZYKZJCFSFTMAB-LJQANCHMSA-N -2 0 378.428 3.539 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000916108461 888716708 /nfs/dbraw/zinc/71/67/08/888716708.db2.gz YPPFKFRKADTYCL-UHFFFAOYSA-N -2 0 394.880 3.829 20 0 GHADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(C(=O)[O-])c1 ZINC000576560292 902098626 /nfs/dbraw/zinc/09/86/26/902098626.db2.gz WVUSEQORVKERKK-UHFFFAOYSA-N -2 0 395.380 3.583 20 0 GHADRL O=C([O-])c1cc(Nc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc(C(=O)[O-])c1 ZINC001176241581 908000221 /nfs/dbraw/zinc/00/02/21/908000221.db2.gz MJKKGYBNXIBXTD-UHFFFAOYSA-N -2 0 393.273 3.952 20 0 GHADRL CC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Br)c1 ZINC001176242075 908000984 /nfs/dbraw/zinc/00/09/84/908000984.db2.gz MKQCKDHKEHKCAV-UHFFFAOYSA-N -2 0 378.178 3.792 20 0 GHADRL CCOC(=O)c1cnc2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2c1 ZINC001176244317 908003412 /nfs/dbraw/zinc/00/34/12/908003412.db2.gz JXBQDKNLFHAJNV-UHFFFAOYSA-N -2 0 380.356 3.552 20 0 GHADRL O=C([O-])c1cc(Nc2cccc([C@H]3CN4C=CSC4=N3)c2)cc(C(=O)[O-])c1 ZINC001176245076 908004380 /nfs/dbraw/zinc/00/43/80/908004380.db2.gz SNZWLYYINHRLAB-MRXNPFEDSA-N -2 0 381.413 3.757 20 0 GHADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000193497522 908444263 /nfs/dbraw/zinc/44/42/63/908444263.db2.gz QNNWJNFFWYLXCB-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL COc1ccc2cc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)ccc2c1 ZINC000795366849 910068704 /nfs/dbraw/zinc/06/87/04/910068704.db2.gz RCUKDFRGCHQRAH-UHFFFAOYSA-N -2 0 389.404 3.795 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2O)c1 ZINC001187583267 915349898 /nfs/dbraw/zinc/34/98/98/915349898.db2.gz TVYAOFGNQVFMGT-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL Cc1ccc(OC(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187580935 915374808 /nfs/dbraw/zinc/37/48/08/915374808.db2.gz GEYVPXGFYJSMBJ-UHFFFAOYSA-N -2 0 383.853 3.935 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc3cccnc32)ccc1Cl ZINC001188312877 915879308 /nfs/dbraw/zinc/87/93/08/915879308.db2.gz YNAQKAMENYJKNJ-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000775294781 916842954 /nfs/dbraw/zinc/84/29/54/916842954.db2.gz GNWTXEAWDPATRM-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc(Cl)c1Cl ZINC000775298064 916848923 /nfs/dbraw/zinc/84/89/23/916848923.db2.gz ORBZCMADSQUHLR-UHFFFAOYSA-N -2 0 385.228 3.974 20 0 GHADRL O=C(Nc1ccccc1-c1nccs1)c1ccccc1OP(=O)([O-])[O-] ZINC001189888708 916991595 /nfs/dbraw/zinc/99/15/95/916991595.db2.gz KNAFWIHCYVSRTN-UHFFFAOYSA-N -2 0 376.330 3.534 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1F ZINC000749145665 924047834 /nfs/dbraw/zinc/04/78/34/924047834.db2.gz LUPPMQIETLAYMW-UHFFFAOYSA-N -2 0 391.424 3.564 20 0 GHADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000410400162 925615729 /nfs/dbraw/zinc/61/57/29/925615729.db2.gz HSYGZKWFADFDGP-UHFFFAOYSA-N -2 0 391.445 3.566 20 0 GHADRL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000726929894 926938927 /nfs/dbraw/zinc/93/89/27/926938927.db2.gz JELZEEOVXUULPM-UHFFFAOYSA-N -2 0 399.255 3.984 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1OC(F)F ZINC000753778594 929532511 /nfs/dbraw/zinc/53/25/11/929532511.db2.gz FZSANGGRJTXXBU-UHFFFAOYSA-N -2 0 389.351 3.543 20 0 GHADRL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753778792 929533234 /nfs/dbraw/zinc/53/32/34/929533234.db2.gz HOJLQHOAEFNEBI-UHFFFAOYSA-N -2 0 391.342 3.960 20 0 GHADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)C=Cc2ccccc2Br)c1 ZINC000758171307 929959482 /nfs/dbraw/zinc/95/94/82/929959482.db2.gz WWXKXVPQUJTGFW-HJWRWDBZSA-N -2 0 396.262 3.770 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1Cl ZINC000830009075 935889817 /nfs/dbraw/zinc/88/98/17/935889817.db2.gz PHYFQYUQKUPBLY-ZDUSSCGKSA-N -2 0 395.864 3.651 20 0 GHADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000325874201 971250747 /nfs/dbraw/zinc/25/07/47/971250747.db2.gz KPSYRJYGYIKEDB-UHFFFAOYSA-N -2 0 389.882 3.998 20 0 GHADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C ZINC000325913821 971253749 /nfs/dbraw/zinc/25/37/49/971253749.db2.gz NIWZDEMTBZFGOQ-UHFFFAOYSA-N -2 0 379.381 3.883 20 0 GHADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1 ZINC001259218967 960677050 /nfs/dbraw/zinc/67/70/50/960677050.db2.gz OZWAMWINQLGILE-UHFFFAOYSA-N -2 0 375.830 3.700 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)on2)cc1 ZINC001260223292 960713792 /nfs/dbraw/zinc/71/37/92/960713792.db2.gz LTKNPDLQOPMZMM-UHFFFAOYSA-N -2 0 384.822 3.556 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)s1 ZINC000321099454 970743313 /nfs/dbraw/zinc/74/33/13/970743313.db2.gz WMBMBXOTMYARGV-UHFFFAOYSA-N -2 0 383.781 3.502 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3cccc(CC(=O)[O-])c3)n2)c1 ZINC001591983140 976602627 /nfs/dbraw/zinc/60/26/27/976602627.db2.gz JCZUCZAXADASDW-UHFFFAOYSA-N -2 0 379.416 3.581 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@]3(C(=O)[O-])CCCC(C)(C)C3)n2)c1 ZINC001591983504 976602793 /nfs/dbraw/zinc/60/27/93/976602793.db2.gz NADGRXVIFJQUBA-JOCHJYFZSA-N -2 0 399.491 3.855 20 0 GHADRL C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])cc1 ZINC001589511710 987142089 /nfs/dbraw/zinc/14/20/89/987142089.db2.gz GLJJNFUHSRWSDZ-GFCCVEGCSA-N -2 0 379.368 3.905 20 0 GHADRL CCc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)sc1C(=O)[O-] ZINC001597685607 988839975 /nfs/dbraw/zinc/83/99/75/988839975.db2.gz UITHEXGWAFFFAZ-UHFFFAOYSA-N -2 0 394.396 3.532 20 0 GHADRL COc1cccc([C@H](NC(=O)c2cc(Cl)c3ccccc3c2[O-])C(=O)[O-])c1 ZINC001599686668 990999114 /nfs/dbraw/zinc/99/91/14/990999114.db2.gz MUKAZEKRCZVHKJ-KRWDZBQOSA-N -2 0 385.803 3.763 20 0 GHADRL CCCn1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1C1CC1 ZINC000562705670 1018555614 /nfs/dbraw/zinc/55/56/14/1018555614.db2.gz HHMZXUWQPAYBNT-UHFFFAOYSA-N -2 0 397.884 3.631 20 0 GHADRL Cc1cc(S(=O)(=O)[O-])c(Nc2cc(F)c(F)c(C(=O)[O-])c2)cc1Cl ZINC001215468002 1029223480 /nfs/dbraw/zinc/22/34/80/1029223480.db2.gz STJCHXAPSOUFRJ-UHFFFAOYSA-N -2 0 377.752 3.615 20 0 GHADRL O=C([O-])c1cc(F)c(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c(F)c1 ZINC001215613868 1029306318 /nfs/dbraw/zinc/30/63/18/1029306318.db2.gz RJDIGTBUQDCGKA-UHFFFAOYSA-N -2 0 379.340 3.807 20 0 GHADRL CC[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1cc(OC)c(OC)c(OC)c1 ZINC001234334381 1039971704 /nfs/dbraw/zinc/97/17/04/1039971704.db2.gz GUPZWRRJQKKCIK-HNNXBMFYSA-N -2 0 398.348 3.714 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(F)cc1Cl ZINC001259212025 1045012293 /nfs/dbraw/zinc/01/22/93/1045012293.db2.gz BVXVOHHSEFRQHM-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C3(C(F)(F)F)CC3)cc2)cc1 ZINC001260221295 1045418332 /nfs/dbraw/zinc/41/83/32/1045418332.db2.gz IZMAXIDDCXXMFK-UHFFFAOYSA-N -2 0 385.363 3.780 20 0 GHADRL O=S(=O)([N-]c1nc2ccc(F)cc2o1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260867135 1045722778 /nfs/dbraw/zinc/72/27/78/1045722778.db2.gz OWSWCPXRGABZGN-UHFFFAOYSA-N -2 0 377.180 3.780 20 0 GHADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260876120 1045732475 /nfs/dbraw/zinc/73/24/75/1045732475.db2.gz QWSIFHCRHVEVHI-UHFFFAOYSA-N -2 0 384.187 3.787 20 0 GHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1C(F)F ZINC000451025908 450603296 /nfs/dbraw/zinc/60/32/96/450603296.db2.gz LZIJGHJJFCFVMH-UHFFFAOYSA-N -2 0 379.816 3.637 20 0 GHADRL C[C@@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2)C1 ZINC000736783366 599738608 /nfs/dbraw/zinc/73/86/08/599738608.db2.gz YOFYMANFLHSDMI-CZUORRHYSA-N -2 0 393.461 3.874 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Oc2ccccc2)o1 ZINC000740177122 599740410 /nfs/dbraw/zinc/74/04/10/599740410.db2.gz DLCTVGKCXSTKIN-UHFFFAOYSA-N -2 0 377.349 3.710 20 0 GHADRL CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000736285629 599851964 /nfs/dbraw/zinc/85/19/64/599851964.db2.gz HEMLPULXZRIGHN-UHFFFAOYSA-N -2 0 398.462 3.594 20 0 GHADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000390703979 599873262 /nfs/dbraw/zinc/87/32/62/599873262.db2.gz FQINBTGLJQTRCI-UHFFFAOYSA-N -2 0 385.772 3.919 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000547871331 599885472 /nfs/dbraw/zinc/88/54/72/599885472.db2.gz TYNFNDOZHBEOND-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL CC1=C(C(=O)[O-])[C@H](c2ccc(Cl)c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736751926 599987986 /nfs/dbraw/zinc/98/79/86/599987986.db2.gz UGSPQLGPLUECKL-INIZCTEOSA-N -2 0 398.818 3.549 20 0 GHADRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(C)c(C)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932192 599988286 /nfs/dbraw/zinc/98/82/86/599988286.db2.gz MRJMOKKDXMLUSA-LJQANCHMSA-N -2 0 388.464 3.763 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)c1C(=O)[O-] ZINC000323824339 600050675 /nfs/dbraw/zinc/05/06/75/600050675.db2.gz FVROAFBTSFQVNV-UHFFFAOYSA-N -2 0 386.838 3.659 20 0 GHADRL CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)sc2C1 ZINC000736972848 600055491 /nfs/dbraw/zinc/05/54/91/600055491.db2.gz HHKCLYPGMJHBAJ-NSHDSACASA-N -2 0 380.491 3.547 20 0 GHADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)ccc1F ZINC000740013411 600150047 /nfs/dbraw/zinc/15/00/47/600150047.db2.gz OIQIEJLUVASPGT-UHFFFAOYSA-N -2 0 393.421 3.840 20 0 GHADRL CC(C)(C)OC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736285308 600423502 /nfs/dbraw/zinc/42/35/02/600423502.db2.gz CJYYVWAVEGCLMA-UHFFFAOYSA-N -2 0 398.462 3.594 20 0 GHADRL COc1ccc(-c2cc3[n-]c(CSC[C@@H](C)C(=O)[O-])nc(=O)c3s2)cc1 ZINC000737909980 600597899 /nfs/dbraw/zinc/59/78/99/600597899.db2.gz QUYGHMCQAYQRQT-SNVBAGLBSA-N -2 0 390.486 3.614 20 0 GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000831945552 601150464 /nfs/dbraw/zinc/15/04/64/601150464.db2.gz KNEJPPANFFHKCW-UHFFFAOYSA-N -2 0 395.430 3.570 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c(Cl)c2)cc1C(=O)[O-] ZINC000833029158 601230762 /nfs/dbraw/zinc/23/07/62/601230762.db2.gz DDDJMJHWFWECAW-UHFFFAOYSA-N -2 0 398.868 3.731 20 0 GHADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)c2)cs1 ZINC000832991946 601231515 /nfs/dbraw/zinc/23/15/15/601231515.db2.gz YAYFIWHNVISVQW-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)cs1 ZINC000481941148 601474527 /nfs/dbraw/zinc/47/45/27/601474527.db2.gz AJPRNPKRDQCNEX-UHFFFAOYSA-N -2 0 389.454 3.544 20 0 GHADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])s1 ZINC000826528137 601502999 /nfs/dbraw/zinc/50/29/99/601502999.db2.gz KOLNPGLXJOKKRS-UHFFFAOYSA-N -2 0 397.503 3.549 20 0 GHADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000325373104 601771088 /nfs/dbraw/zinc/77/10/88/601771088.db2.gz TVLDRCOTUOIFKL-CMDGGOBGSA-N -2 0 386.882 3.616 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)c1 ZINC000833318444 601795758 /nfs/dbraw/zinc/79/57/58/601795758.db2.gz PEENNQCEKFYODR-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)ccc1Cl ZINC000742031135 601829968 /nfs/dbraw/zinc/82/99/68/601829968.db2.gz OEKCBPFJGZKRJY-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000324146381 602158612 /nfs/dbraw/zinc/15/86/12/602158612.db2.gz NQDCEAFBLNDMHI-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000833541692 604690230 /nfs/dbraw/zinc/69/02/30/604690230.db2.gz DSONOQRHZJNOBJ-CQSZACIVSA-N -2 0 398.440 3.721 20 0 GHADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC000833449579 604757854 /nfs/dbraw/zinc/75/78/54/604757854.db2.gz NEDGTTJJWDJGNE-UHFFFAOYSA-N -2 0 380.491 3.817 20 0 GHADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c2ccccc12 ZINC000833506438 604911950 /nfs/dbraw/zinc/91/19/50/604911950.db2.gz BONIOBHBHIUMGW-UHFFFAOYSA-N -2 0 386.429 3.521 20 0 GHADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000833741371 605126554 /nfs/dbraw/zinc/12/65/54/605126554.db2.gz JTPQGIBMMUEDAZ-UHFFFAOYSA-N -2 0 381.475 3.784 20 0 GHADRL CC1=C(C(=O)[O-])[C@H](c2cc(Cl)ccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000833576283 605168739 /nfs/dbraw/zinc/16/87/39/605168739.db2.gz YPDGVNCDKSBXJU-INIZCTEOSA-N -2 0 398.818 3.549 20 0 GHADRL CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833508218 605187172 /nfs/dbraw/zinc/18/71/72/605187172.db2.gz NOWKBOVMZRCBFD-UHFFFAOYSA-N -2 0 375.855 3.933 20 0 GHADRL Cc1sc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c(C(=O)[O-])c1C ZINC000833758004 605344525 /nfs/dbraw/zinc/34/45/25/605344525.db2.gz HMJQIZYBOOINNS-UHFFFAOYSA-N -2 0 391.417 3.508 20 0 GHADRL Cc1cc([C@@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])ccc1Cl ZINC000833577381 605599481 /nfs/dbraw/zinc/59/94/81/605599481.db2.gz POMXMLVNEVYTFP-KRWDZBQOSA-N -2 0 394.855 3.718 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000547703592 835490254 /nfs/dbraw/zinc/49/02/54/835490254.db2.gz ZNJLTYXKJJZBCS-UHFFFAOYSA-N -2 0 391.342 3.906 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000547875380 837338180 /nfs/dbraw/zinc/33/81/80/837338180.db2.gz FZMDUHGGMVNIPU-UHFFFAOYSA-N -2 0 391.342 3.960 20 0 GHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000181769772 838889535 /nfs/dbraw/zinc/88/95/35/838889535.db2.gz SSFKUGCELDHXDR-VIFPVBQESA-N -2 0 389.260 3.767 20 0 GHADRL Cc1cc(C(=O)Nc2ccc(NC3CCCCC3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000673655277 861205701 /nfs/dbraw/zinc/20/57/01/861205701.db2.gz KAGBYYZCZRQASY-UHFFFAOYSA-N -2 0 393.447 3.741 20 0 GHADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)F)nc1 ZINC000656633398 841628173 /nfs/dbraw/zinc/62/81/73/841628173.db2.gz ATKHRGWGOVNTBZ-UHFFFAOYSA-N -2 0 390.433 3.877 20 0 GHADRL O=C([O-])CCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2[O-])SC1=S ZINC000203065374 841746691 /nfs/dbraw/zinc/74/66/91/841746691.db2.gz CLNMONJVGOVAJZ-YHYXMXQVSA-N -2 0 392.285 3.765 20 0 GHADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000731338771 861570712 /nfs/dbraw/zinc/57/07/12/861570712.db2.gz IASAJQHNQATSTI-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1-n1cccc1C(=O)[O-] ZINC000110135654 846944785 /nfs/dbraw/zinc/94/47/85/846944785.db2.gz RZNPNARIQDZNCP-UHFFFAOYSA-N -2 0 392.383 3.563 20 0 GHADRL CCCc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(C(=O)[O-])c1 ZINC000509596341 850112359 /nfs/dbraw/zinc/11/23/59/850112359.db2.gz PHNSZPNCLBFXLE-UHFFFAOYSA-N -2 0 385.388 3.740 20 0 GHADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000504665512 850222117 /nfs/dbraw/zinc/22/21/17/850222117.db2.gz HFLWMOWEICWHKU-UHFFFAOYSA-N -2 0 390.244 3.648 20 0 GHADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000504687019 850241716 /nfs/dbraw/zinc/24/17/16/850241716.db2.gz MSIPLHFAGKYEEO-UHFFFAOYSA-N -2 0 390.244 3.648 20 0 GHADRL C[C@H](Oc1ccc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1)C(=O)[O-] ZINC000504742246 850280099 /nfs/dbraw/zinc/28/00/99/850280099.db2.gz OXWRMLPAJWDKRS-TZIYXEQSSA-N -2 0 390.395 3.864 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000505122593 850623751 /nfs/dbraw/zinc/62/37/51/850623751.db2.gz CJNSBAQJYCPADS-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)c(F)c1 ZINC000438767662 852824843 /nfs/dbraw/zinc/82/48/43/852824843.db2.gz WRIOBIPMEITHBA-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)CC)c2C2CC2)cc1C(=O)[O-] ZINC000536495513 856368517 /nfs/dbraw/zinc/36/85/17/856368517.db2.gz BQCURPDAUWPGKR-GFCCVEGCSA-N -2 0 391.493 3.793 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(OC(F)(F)F)c1 ZINC000486095337 857421310 /nfs/dbraw/zinc/42/13/10/857421310.db2.gz BRIZBIUBWXSFMA-UHFFFAOYSA-N -2 0 395.742 3.738 20 0 GHADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)c2)o1 ZINC000066814547 857972679 /nfs/dbraw/zinc/97/26/79/857972679.db2.gz WMKLWLUSLBJMCS-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000067874433 858076683 /nfs/dbraw/zinc/07/66/83/858076683.db2.gz CHEQAWQGWFEESK-UHFFFAOYSA-N -2 0 396.490 3.603 20 0 GHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000543163828 858694810 /nfs/dbraw/zinc/69/48/10/858694810.db2.gz CETLEBRHDUQBOW-UHFFFAOYSA-N -2 0 391.493 3.813 20 0 GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000183347097 858724647 /nfs/dbraw/zinc/72/46/47/858724647.db2.gz LSZQFPNKIFWBSK-UHFFFAOYSA-N -2 0 386.429 3.766 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(Cl)cc1F ZINC000060211019 858943222 /nfs/dbraw/zinc/94/32/22/858943222.db2.gz ZTNARRKLQYAILF-UHFFFAOYSA-N -2 0 383.828 3.857 20 0 GHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC000185568453 859096019 /nfs/dbraw/zinc/09/60/19/859096019.db2.gz WBWCHIACAQHCBY-UHFFFAOYSA-N -2 0 393.770 3.787 20 0 GHADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000509386647 859270126 /nfs/dbraw/zinc/27/01/26/859270126.db2.gz LYSWAHMJCBKCIL-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1 ZINC000003326951 859943552 /nfs/dbraw/zinc/94/35/52/859943552.db2.gz PUUWBDZYOGZEHM-UHFFFAOYSA-N -2 0 383.425 3.861 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1Cl ZINC000484957621 860537844 /nfs/dbraw/zinc/53/78/44/860537844.db2.gz HNTXUJANWLFJOL-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1SC ZINC000479184096 867327910 /nfs/dbraw/zinc/32/79/10/867327910.db2.gz NEDOGWBIESNFFF-UHFFFAOYSA-N -2 0 381.475 3.696 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1C1CC1 ZINC000534974472 867856938 /nfs/dbraw/zinc/85/69/38/867856938.db2.gz QKCKVOIBPFFOIG-GFCCVEGCSA-N -2 0 391.493 3.847 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1 ZINC000156337213 868330097 /nfs/dbraw/zinc/33/00/97/868330097.db2.gz VIDHFLFVVBJDAZ-UHFFFAOYSA-N -2 0 391.424 3.564 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2csc3cnccc23)c(Cl)cc1F ZINC001193972025 871409866 /nfs/dbraw/zinc/40/98/66/871409866.db2.gz SXXMCTNVJACLSL-UHFFFAOYSA-N -2 0 386.813 3.588 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)nc(Cl)c2)c(Cl)cc1F ZINC001193973527 871410912 /nfs/dbraw/zinc/41/09/12/871410912.db2.gz RRKJWXQLDKUZQO-UHFFFAOYSA-N -2 0 399.614 3.680 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(ccn2CC(C)C)c1 ZINC000462058047 871533814 /nfs/dbraw/zinc/53/38/14/871533814.db2.gz KLJKRWVRRVQIIR-UHFFFAOYSA-N -2 0 376.434 3.698 20 0 GHADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000618761825 871960826 /nfs/dbraw/zinc/96/08/26/871960826.db2.gz GEISUUVFTJQWPO-UHFFFAOYSA-N -2 0 379.743 3.565 20 0 GHADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767734064 872810393 /nfs/dbraw/zinc/81/03/93/872810393.db2.gz CHVNJFCKQGJDOT-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1cc(F)nc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1 ZINC001196076224 872866069 /nfs/dbraw/zinc/86/60/69/872866069.db2.gz LXRTURNOEBTHEA-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000542234410 875195637 /nfs/dbraw/zinc/19/56/37/875195637.db2.gz DSDWVBZPXWGJJB-UHFFFAOYSA-N -2 0 391.493 3.813 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(F)c(Cl)c1 ZINC000392425644 883621936 /nfs/dbraw/zinc/62/19/36/883621936.db2.gz IKYYJLMZPKRRCW-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c(C)c1CC(=O)[O-] ZINC000392875621 884052117 /nfs/dbraw/zinc/05/21/17/884052117.db2.gz FIJBQNMMOIWPMG-UHFFFAOYSA-N -2 0 385.844 3.832 20 0 GHADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000761894930 884938487 /nfs/dbraw/zinc/93/84/87/884938487.db2.gz QAOKGCDEJIVHNC-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000476393249 885535497 /nfs/dbraw/zinc/53/54/97/885535497.db2.gz QGVLICQGOPYYQN-UHFFFAOYSA-N -2 0 395.452 3.948 20 0 GHADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000476416149 885714896 /nfs/dbraw/zinc/71/48/96/885714896.db2.gz FNQPWMXEPOXVTE-UHFFFAOYSA-N -2 0 375.830 3.700 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnc1Cl ZINC000322990495 886387524 /nfs/dbraw/zinc/38/75/24/886387524.db2.gz HOHUEKVWXXPSGY-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc(C)c1Br ZINC000235886923 886772578 /nfs/dbraw/zinc/77/25/78/886772578.db2.gz YCTSPJLCWZJFEX-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1F ZINC000812270860 890489912 /nfs/dbraw/zinc/48/99/12/890489912.db2.gz RKBICGJEIVMQAJ-UHFFFAOYSA-N -2 0 387.307 3.544 20 0 GHADRL O=C([O-])[C@@H]1CCCCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000263051565 892415821 /nfs/dbraw/zinc/41/58/21/892415821.db2.gz DLBPMHAHHOQSSN-AWEZNQCLSA-N -2 0 387.436 3.642 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cc(Cl)cnc21 ZINC001185909362 914168690 /nfs/dbraw/zinc/16/86/90/914168690.db2.gz SRUIZAZNODABCZ-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])/C=C/c1cccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1 ZINC001174496088 907052399 /nfs/dbraw/zinc/05/23/99/907052399.db2.gz BZROKEDRTSGJHI-CMDGGOBGSA-N -2 0 385.397 3.634 20 0 GHADRL O=C([O-])c1cc(Nc2ccc3cnn([C@H]4CCCCO4)c3c2)cc(C(=O)[O-])c1 ZINC001176242064 908000033 /nfs/dbraw/zinc/00/00/33/908000033.db2.gz LXIKUUFEVWREBZ-GOSISDBHSA-N -2 0 381.388 3.875 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc(C(=O)[O-])c1F ZINC000795386214 910157402 /nfs/dbraw/zinc/15/74/02/910157402.db2.gz DTCWQZVJINJTQH-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL CC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187583346 915349624 /nfs/dbraw/zinc/34/96/24/915349624.db2.gz XQADRJHSNQEGQP-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL O=C(Nc1ccc(-c2cccc(O)c2)cc1)c1ccccc1OP(=O)([O-])[O-] ZINC001189888698 916991812 /nfs/dbraw/zinc/99/18/12/916991812.db2.gz KAEGEPXVSDAFOU-UHFFFAOYSA-N -2 0 385.312 3.783 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(F)(F)F)cc1 ZINC001192140797 918475041 /nfs/dbraw/zinc/47/50/41/918475041.db2.gz IIOPFIKWRQNBSB-UHFFFAOYSA-N -2 0 391.342 3.663 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)cc1 ZINC000410364625 925576553 /nfs/dbraw/zinc/57/65/53/925576553.db2.gz ZAMIFVWKFPIFMJ-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000777936430 934227665 /nfs/dbraw/zinc/22/76/65/934227665.db2.gz OZLQOUGEYMNOII-UHFFFAOYSA-N -2 0 375.233 3.504 20 0 GHADRL O=C([O-])c1ccccc1CC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC001605719639 974152012 /nfs/dbraw/zinc/15/20/12/974152012.db2.gz JZWLVULZXKYRFC-UHFFFAOYSA-N -2 0 384.613 3.688 20 0 GHADRL CC(C)Oc1ccc(NC(=O)c2cccc(Br)c2[O-])c(C(=O)[O-])c1 ZINC001591788294 975971493 /nfs/dbraw/zinc/97/14/93/975971493.db2.gz ZHWWHIPSKAIGJS-UHFFFAOYSA-N -2 0 394.221 3.892 20 0 GHADRL CCCCn1ncc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1C(C)C ZINC001595810940 982648320 /nfs/dbraw/zinc/64/83/20/982648320.db2.gz VLCQXNPXKKYRKU-UHFFFAOYSA-N -2 0 379.482 3.614 20 0 GHADRL CCOCc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)cc1 ZINC001596964031 986165749 /nfs/dbraw/zinc/16/57/49/986165749.db2.gz FAXWFECPYZNEIP-UHFFFAOYSA-N -2 0 389.882 3.745 20 0 GHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001597074062 986596768 /nfs/dbraw/zinc/59/67/68/986596768.db2.gz HGTMRULEQCSRHB-UHFFFAOYSA-N -2 0 395.380 3.665 20 0 GHADRL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC001599811056 988334748 /nfs/dbraw/zinc/33/47/48/988334748.db2.gz MVWNHTHIMRRHJF-AWEZNQCLSA-N -2 0 383.828 3.852 20 0 GHADRL CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2s1 ZINC001590545820 990185514 /nfs/dbraw/zinc/18/55/14/990185514.db2.gz QEAKGCOTGRYRPC-UHFFFAOYSA-N -2 0 380.447 3.686 20 0 GHADRL C[C@](NC(=O)c1s[n-]c(=O)c1Cl)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593188777 994103634 /nfs/dbraw/zinc/10/36/34/994103634.db2.gz IQRXWOINNCQZNB-CYBMUJFWSA-N -2 0 395.651 3.539 20 0 GHADRL OC[C@@H](Nc1cc([S-])cc([S-])c1)[C@@H](O)c1ccc(Br)cc1 ZINC001162118504 1025615805 /nfs/dbraw/zinc/61/58/05/1025615805.db2.gz XGUYLGMRMPWEMH-CABCVRRESA-N -2 0 386.336 3.533 20 0 GHADRL O=c1nc2cc(-c3nc(-c4cccc5c(Cl)ccnc45)no3)ccc2c([O-])[n-]1 ZINC001217431664 1030386747 /nfs/dbraw/zinc/38/67/47/1030386747.db2.gz QTKUJKYPRMVRQX-UHFFFAOYSA-N -2 0 391.774 3.960 20 0 GHADRL O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2cccc(F)c2[O-])nc1 ZINC001242350142 1035893001 /nfs/dbraw/zinc/89/30/01/1035893001.db2.gz JXJMJMLLPWOWDO-UHFFFAOYSA-N -2 0 380.347 3.672 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc([O-])c(F)c(F)c3F)cn2)cc1 ZINC001245634095 1036962048 /nfs/dbraw/zinc/96/20/48/1036962048.db2.gz ACFSMZOAWMNRIM-UHFFFAOYSA-N -2 0 394.374 3.981 20 0 GHADRL CC(C)CCOC(=O)[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1ccccc1 ZINC001234332243 1039971884 /nfs/dbraw/zinc/97/18/84/1039971884.db2.gz NPABRQCJPPVAEW-GOSISDBHSA-N -2 0 394.360 3.868 20 0 GHADRL O=C([O-])/C=C/c1ccc(-c2ncccc2S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC001235168200 1040660419 /nfs/dbraw/zinc/66/04/19/1040660419.db2.gz CWGHHDYXOMBXDY-DHZHZOJOSA-N -2 0 398.415 3.786 20 0 GHADRL Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001237944434 1042433119 /nfs/dbraw/zinc/43/31/19/1042433119.db2.gz LYYFRHSSHUJSHW-UHFFFAOYSA-N -2 0 395.651 3.728 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3ccccc3cn2)c(F)cc1Cl ZINC001259213308 1045013434 /nfs/dbraw/zinc/01/34/34/1045013434.db2.gz MOQJXYSQZDUHES-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL Cc1cccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)nc12 ZINC001259212932 1045014328 /nfs/dbraw/zinc/01/43/28/1045014328.db2.gz RKVSZZAJFDCQFH-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc(F)cnc32)c(F)cc1Cl ZINC001259220678 1045018465 /nfs/dbraw/zinc/01/84/65/1045018465.db2.gz GIDXMQOBVBSIQG-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL O=c1[n-]c(F)c(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1Cl ZINC001259453591 1045169839 /nfs/dbraw/zinc/16/98/39/1045169839.db2.gz WTZLXCMSAVFRPJ-UHFFFAOYSA-N -2 0 389.594 3.826 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnc3c(Cl)cccc23)c1 ZINC001260210256 1045415978 /nfs/dbraw/zinc/41/59/78/1045415978.db2.gz UHMOQSQKOIXGGJ-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL Cc1cccc(-n2nccc2[N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260871915 1045727737 /nfs/dbraw/zinc/72/77/37/1045727737.db2.gz XYZMJMQFTRJWTG-UHFFFAOYSA-N -2 0 398.271 3.994 20 0 GHADRL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Br)cc(F)c2[O-])c1 ZINC001450218843 1060553822 /nfs/dbraw/zinc/55/38/22/1060553822.db2.gz QYWRZOJRSNFMQK-UHFFFAOYSA-N -2 0 382.185 3.844 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)sc1C(=O)[O-] ZINC000738350819 600054731 /nfs/dbraw/zinc/05/47/31/600054731.db2.gz BYPXEAHJGMXLMY-UHFFFAOYSA-N -2 0 382.507 3.865 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nc(/C=C/c3ccccc3)cs2)c1 ZINC000740272499 600377506 /nfs/dbraw/zinc/37/75/06/600377506.db2.gz WAOVYYQJJJTMLN-VOTSOKGWSA-N -2 0 392.483 3.874 20 0 GHADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000740290814 600396559 /nfs/dbraw/zinc/39/65/59/600396559.db2.gz VRSPOBKOVDXOSU-UHFFFAOYSA-N -2 0 397.421 3.743 20 0 GHADRL CC(C)c1nc2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2s1 ZINC000520700023 600677781 /nfs/dbraw/zinc/67/77/81/600677781.db2.gz WBJNIKIUIKXPAI-UHFFFAOYSA-N -2 0 382.488 3.980 20 0 GHADRL Cc1cc2sc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)nc2c(C)c1 ZINC000832874586 600827831 /nfs/dbraw/zinc/82/78/31/600827831.db2.gz KGOOYFCMLSTAHT-UHFFFAOYSA-N -2 0 376.459 3.721 20 0 GHADRL CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000497213279 600980755 /nfs/dbraw/zinc/98/07/55/600980755.db2.gz GHBLKFQZIDJWRB-UHFFFAOYSA-N -2 0 378.475 3.858 20 0 GHADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1OC ZINC000467331173 601049279 /nfs/dbraw/zinc/04/92/79/601049279.db2.gz SLEFUCZBSLJUJS-UHFFFAOYSA-N -2 0 393.461 3.500 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)c1 ZINC000460823931 601050406 /nfs/dbraw/zinc/05/04/06/601050406.db2.gz MFHOTXNJTZVNBR-UHFFFAOYSA-N -2 0 385.438 3.708 20 0 GHADRL Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000392034252 601157881 /nfs/dbraw/zinc/15/78/81/601157881.db2.gz MEIWWZOGKBTUBO-UHFFFAOYSA-N -2 0 385.228 3.673 20 0 GHADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])C1 ZINC000833188027 601213025 /nfs/dbraw/zinc/21/30/25/601213025.db2.gz VFVYCYHNMHDIJI-HTQZYQBOSA-N -2 0 376.634 3.638 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(SC(F)F)c1 ZINC000066588478 601329408 /nfs/dbraw/zinc/32/94/08/601329408.db2.gz FXORCBLHOPFZPY-UHFFFAOYSA-N -2 0 389.401 3.509 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)c1 ZINC000481950967 601474454 /nfs/dbraw/zinc/47/44/54/601474454.db2.gz PNQUVFVIZMCREB-UHFFFAOYSA-N -2 0 389.454 3.544 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)ccc1C(=O)[O-] ZINC000832904729 601795302 /nfs/dbraw/zinc/79/53/02/601795302.db2.gz ZMFPSBKTJLDREX-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1F ZINC000532849803 602321768 /nfs/dbraw/zinc/32/17/68/602321768.db2.gz CIZGSYWNBNBHEZ-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1)C(=O)[O-] ZINC000739712770 602655301 /nfs/dbraw/zinc/65/53/01/602655301.db2.gz LISJFXSNOHMPCQ-UHFFFAOYSA-N -2 0 388.367 3.616 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c(C(=O)[O-])cc1OC ZINC000484593243 604924119 /nfs/dbraw/zinc/92/41/19/604924119.db2.gz JBUWZBVTWLGDND-UHFFFAOYSA-N -2 0 399.490 3.562 20 0 GHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000544095445 605329145 /nfs/dbraw/zinc/32/91/45/605329145.db2.gz WTBRTDWMLDLURD-UHFFFAOYSA-N -2 0 377.466 3.504 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000175776825 836998548 /nfs/dbraw/zinc/99/85/48/836998548.db2.gz GUFUEBUKWXZAFM-UHFFFAOYSA-N -2 0 377.340 3.582 20 0 GHADRL Cc1csc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n1 ZINC000588077640 838004579 /nfs/dbraw/zinc/00/45/79/838004579.db2.gz DTSPLOAZBOEABV-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)ccc1Cl ZINC000047318170 838372643 /nfs/dbraw/zinc/37/26/43/838372643.db2.gz DDVXVKHIGOZHFT-UHFFFAOYSA-N -2 0 395.742 3.738 20 0 GHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473443002 844453499 /nfs/dbraw/zinc/45/34/99/844453499.db2.gz SFTMFHGVQGCHGT-UHFFFAOYSA-N -2 0 389.882 3.537 20 0 GHADRL Cc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000581518365 841581243 /nfs/dbraw/zinc/58/12/43/841581243.db2.gz YTVURLLPDZDDEM-UHFFFAOYSA-N -2 0 384.395 3.568 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548209076 842165927 /nfs/dbraw/zinc/16/59/27/842165927.db2.gz ZAUOONDSZWXGCI-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000548283209 842396220 /nfs/dbraw/zinc/39/62/20/842396220.db2.gz OIAHGYOBZYZEKC-UHFFFAOYSA-N -2 0 384.457 3.751 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)nn1C(C)C ZINC000421181930 847825801 /nfs/dbraw/zinc/82/58/01/847825801.db2.gz KCIINTAJGQEMDQ-UHFFFAOYSA-N -2 0 385.511 3.630 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000505124495 850648037 /nfs/dbraw/zinc/64/80/37/850648037.db2.gz NIUXOQPCEOAZOM-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cccc1C(=O)[O-] ZINC000427208605 852836618 /nfs/dbraw/zinc/83/66/18/852836618.db2.gz GVPZTRMECDDXTJ-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2)cs1 ZINC000438802644 852862714 /nfs/dbraw/zinc/86/27/14/852862714.db2.gz CBTTXEFHPHBGAE-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)sc1C(=O)[O-] ZINC000164649899 853662395 /nfs/dbraw/zinc/66/23/95/853662395.db2.gz BOZFMKLRLATBSP-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1C(=O)[O-] ZINC000156343976 853664432 /nfs/dbraw/zinc/66/44/32/853664432.db2.gz MCSKGZYWVCZKDK-UHFFFAOYSA-N -2 0 391.342 3.738 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000589437275 854876651 /nfs/dbraw/zinc/87/66/51/854876651.db2.gz FMPWFUMZLPJMOB-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1C1CCCC1 ZINC000194224194 855965560 /nfs/dbraw/zinc/96/55/60/855965560.db2.gz HKSLQHDLCWOGOS-UHFFFAOYSA-N -2 0 397.884 3.767 20 0 GHADRL COc1cc(S(=O)(=O)[N-]c2ccccc2OC(C)C)c(Cl)cc1C(=O)[O-] ZINC000485294469 856323524 /nfs/dbraw/zinc/32/35/24/856323524.db2.gz AKJGWNKHNKVVPB-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485386311 856425133 /nfs/dbraw/zinc/42/51/33/856425133.db2.gz DFQQTNCDOGTFAM-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1Cl ZINC000543022228 857936797 /nfs/dbraw/zinc/93/67/97/857936797.db2.gz YBRYKWOCNSQZRU-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000181729678 862988712 /nfs/dbraw/zinc/98/87/12/862988712.db2.gz SUISZVSTJVEVIQ-UHFFFAOYSA-N -2 0 399.900 3.617 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000183348586 858724957 /nfs/dbraw/zinc/72/49/57/858724957.db2.gz VXPMXQGJIRBWQX-UHFFFAOYSA-N -2 0 386.429 3.711 20 0 GHADRL CSc1ccccc1NS(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000326873197 858727408 /nfs/dbraw/zinc/72/74/08/858727408.db2.gz YCXDSPSMRXPYDF-UHFFFAOYSA-N -2 0 379.503 3.762 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)cc1C(=O)[O-] ZINC000676723745 858776136 /nfs/dbraw/zinc/77/61/36/858776136.db2.gz LNJBVDJVSISTBR-CQSZACIVSA-N -2 0 399.472 3.554 20 0 GHADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(O)c1 ZINC000443532268 858902242 /nfs/dbraw/zinc/90/22/42/858902242.db2.gz SCBSQKPNAKJNKW-UHFFFAOYSA-N -2 0 377.462 3.508 20 0 GHADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1)C(=O)[O-] ZINC000184650367 858975731 /nfs/dbraw/zinc/97/57/31/858975731.db2.gz DVBAUFQXTATQJM-NSHDSACASA-N -2 0 398.278 3.513 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)cc1)C(=O)[O-] ZINC000509387429 859272806 /nfs/dbraw/zinc/27/28/06/859272806.db2.gz UUQPTJZRHMBURV-MRXNPFEDSA-N -2 0 391.489 3.766 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)c1 ZINC000484045407 859781116 /nfs/dbraw/zinc/78/11/16/859781116.db2.gz RAZRLLMDJQFWNA-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Br)c1C ZINC000387085400 860405986 /nfs/dbraw/zinc/40/59/86/860405986.db2.gz FORJPVYWDIMZFZ-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000034339258 860498452 /nfs/dbraw/zinc/49/84/52/860498452.db2.gz KKLZXWYEIQIINC-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000189460048 881869821 /nfs/dbraw/zinc/86/98/21/881869821.db2.gz NJTXQKGDFIHEQJ-UHFFFAOYSA-N -2 0 399.472 3.551 20 0 GHADRL COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc1Cl ZINC000614737919 865907313 /nfs/dbraw/zinc/90/73/13/865907313.db2.gz WMOQZUUMHZEADX-UHFFFAOYSA-N -2 0 383.853 3.971 20 0 GHADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc1C ZINC000479237561 867387902 /nfs/dbraw/zinc/38/79/02/867387902.db2.gz JOMLTROWIKLXMS-SECBINFHSA-N -2 0 385.873 3.623 20 0 GHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1C(=O)[O-] ZINC000479258158 867441261 /nfs/dbraw/zinc/44/12/61/867441261.db2.gz IMLNFIXNBIHBEC-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479509642 867928359 /nfs/dbraw/zinc/92/83/59/867928359.db2.gz BPADSXCTIQESBV-UHFFFAOYSA-N -2 0 380.472 3.517 20 0 GHADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000539597476 869403413 /nfs/dbraw/zinc/40/34/13/869403413.db2.gz MZMVWTCBKYMAOM-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n(C(C)C)n1 ZINC001192400728 870371213 /nfs/dbraw/zinc/37/12/13/870371213.db2.gz FXYRVJLKKXAIPT-UHFFFAOYSA-N -2 0 392.264 3.578 20 0 GHADRL Cn1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc2ccccc21 ZINC001192406789 870377202 /nfs/dbraw/zinc/37/72/02/870377202.db2.gz DVMDLMAGXKEVMF-UHFFFAOYSA-N -2 0 399.255 3.984 20 0 GHADRL CCOc1ccc(S(=O)(=O)[N-]c2cncc(-c3ccccc3)c2)cc1C(=O)[O-] ZINC001192614780 870547696 /nfs/dbraw/zinc/54/76/96/870547696.db2.gz KMGOZESQEOCSAI-UHFFFAOYSA-N -2 0 398.440 3.646 20 0 GHADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000447115273 871007532 /nfs/dbraw/zinc/00/75/32/871007532.db2.gz XREBEVVYVCOMGK-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1Cl ZINC001194010165 871430507 /nfs/dbraw/zinc/43/05/07/871430507.db2.gz HGBJYJBJAPNXJZ-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccncc3c2)c(Cl)cc1F ZINC001194011243 871431974 /nfs/dbraw/zinc/43/19/74/871431974.db2.gz VCOMMPPAQSEIFR-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL CC(C)(C)[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1 ZINC001194981291 872084011 /nfs/dbraw/zinc/08/40/11/872084011.db2.gz QMISOOVWJRDXJB-KRWDZBQOSA-N -2 0 399.472 3.645 20 0 GHADRL COc1cccc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cccc12 ZINC001195245237 872274684 /nfs/dbraw/zinc/27/46/84/872274684.db2.gz OONPQLJUFQOSMD-UHFFFAOYSA-N -2 0 393.367 3.626 20 0 GHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000463783643 872594482 /nfs/dbraw/zinc/59/44/82/872594482.db2.gz UDOWAQLVTQIDOX-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL COc1nc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196068247 872835232 /nfs/dbraw/zinc/83/52/32/872835232.db2.gz LZNRGCUPQBLYFA-UHFFFAOYSA-N -2 0 398.440 3.565 20 0 GHADRL CN(C)c1ccc(NS(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cc1 ZINC001196067480 872838472 /nfs/dbraw/zinc/83/84/72/872838472.db2.gz ZBZJCQSMSILMFN-UHFFFAOYSA-N -2 0 396.468 3.919 20 0 GHADRL C=Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1 ZINC001196036240 872847697 /nfs/dbraw/zinc/84/76/97/872847697.db2.gz AKYHVIMGGWDBHE-UHFFFAOYSA-N -2 0 382.235 3.591 20 0 GHADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc([C@H](C)CC(=O)[O-])cc3)c2n1 ZINC000541308023 873332605 /nfs/dbraw/zinc/33/26/05/873332605.db2.gz YMXKBOACHUPMMM-CYBMUJFWSA-N -2 0 384.457 3.922 20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1OC1CCCC1 ZINC001198790081 874611269 /nfs/dbraw/zinc/61/12/69/874611269.db2.gz MIAINLQLJUUPBZ-UHFFFAOYSA-N -2 0 379.409 3.646 20 0 GHADRL O=S(=O)([N-]c1cc(O)cc(Cl)c1)c1ncccc1OCc1ccccc1 ZINC001201893940 875908990 /nfs/dbraw/zinc/90/89/90/875908990.db2.gz FABQLZVXMPURJA-UHFFFAOYSA-N -2 0 390.848 3.820 20 0 GHADRL Cc1c(Cl)cncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000451067397 877323933 /nfs/dbraw/zinc/32/39/33/877323933.db2.gz WSSHLIPUMXWYIQ-UHFFFAOYSA-N -2 0 388.898 3.901 20 0 GHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461346390 879613898 /nfs/dbraw/zinc/61/38/98/879613898.db2.gz XZRCQDHRHQVQBL-UHFFFAOYSA-N -2 0 393.408 3.975 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1)C(=O)[O-] ZINC000184904458 880413950 /nfs/dbraw/zinc/41/39/50/880413950.db2.gz YZTOSRLOBQTCOQ-LLVKDONJSA-N -2 0 387.379 3.558 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])c(F)c1 ZINC000460462413 881205924 /nfs/dbraw/zinc/20/59/24/881205924.db2.gz WDEKNROISHRETQ-UHFFFAOYSA-N -2 0 383.466 3.810 20 0 GHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)c2n1 ZINC000327910247 884223835 /nfs/dbraw/zinc/22/38/35/884223835.db2.gz JVKGTRDYPSTYIL-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1C(=O)[O-] ZINC000470448143 885319251 /nfs/dbraw/zinc/31/92/51/885319251.db2.gz LHUWJPQERGOGFC-UHFFFAOYSA-N -2 0 389.351 3.543 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1C1CC1 ZINC000762476078 886265242 /nfs/dbraw/zinc/26/52/42/886265242.db2.gz MDYYHRGGNCQGOC-NSHDSACASA-N -2 0 395.456 3.678 20 0 GHADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1C ZINC000032585504 887421319 /nfs/dbraw/zinc/42/13/19/887421319.db2.gz VRAOMMSBLFJFBW-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nn1C1CCCCC1 ZINC000811718494 889916773 /nfs/dbraw/zinc/91/67/73/889916773.db2.gz RSCYWMAQVOFWCA-UHFFFAOYSA-N -2 0 397.884 3.849 20 0 GHADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000778565992 896793280 /nfs/dbraw/zinc/79/32/80/896793280.db2.gz BTFUMKPIFKLRSR-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)cc1 ZINC000821116628 897717103 /nfs/dbraw/zinc/71/71/03/897717103.db2.gz RPCBXERPJDPKAV-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1OCC(C)C ZINC001185919292 914200608 /nfs/dbraw/zinc/20/06/08/914200608.db2.gz XXHUKGJEZDYSMZ-UHFFFAOYSA-N -2 0 381.425 3.668 20 0 GHADRL C/C=C/c1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cc1 ZINC000570479007 899334095 /nfs/dbraw/zinc/33/40/95/899334095.db2.gz YNNGPIRMWISDJX-ONEGZZNKSA-N -2 0 381.837 3.881 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Oc2cccnc2)ccc1F ZINC001186179521 914346266 /nfs/dbraw/zinc/34/62/66/914346266.db2.gz UASXDPDIJSBIHF-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000576157262 901738120 /nfs/dbraw/zinc/73/81/20/901738120.db2.gz LHCXROHYZRKPQK-UHFFFAOYSA-N -2 0 383.853 3.555 20 0 GHADRL Nc1cc(Cl)c(OC(F)(F)F)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244135 908003364 /nfs/dbraw/zinc/00/33/64/908003364.db2.gz GMKPGGGSTCEVCY-UHFFFAOYSA-N -2 0 390.701 3.961 20 0 GHADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000779829125 908969605 /nfs/dbraw/zinc/96/96/05/908969605.db2.gz DGOHKNSKDXZVSH-UHFFFAOYSA-N -2 0 391.779 3.516 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C2SCCS2)c1 ZINC000266780592 909299268 /nfs/dbraw/zinc/29/92/68/909299268.db2.gz MPRUTXZQYOEPSV-UHFFFAOYSA-N -2 0 385.488 3.566 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000268085767 909766468 /nfs/dbraw/zinc/76/64/68/909766468.db2.gz RENVIAABAVLUPQ-UHFFFAOYSA-N -2 0 377.340 3.582 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c1 ZINC001187548707 915345802 /nfs/dbraw/zinc/34/58/02/915345802.db2.gz WKDVEDUGWUNEHG-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc3cccnc32)c1 ZINC001187581465 915375082 /nfs/dbraw/zinc/37/50/82/915375082.db2.gz GXRHSWFGQXOOQE-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2O)c1 ZINC001187581655 915375789 /nfs/dbraw/zinc/37/57/89/915375789.db2.gz OIUAXFVMFQGGFE-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL Cc1ccnc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cccc12 ZINC001187582123 915376550 /nfs/dbraw/zinc/37/65/50/915376550.db2.gz QUIKFMRSDOYGML-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3ccccn3)c2)c1 ZINC001187582246 915377579 /nfs/dbraw/zinc/37/75/79/915377579.db2.gz PVOVJMSEBXRECG-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL O=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1OP(=O)([O-])[O-] ZINC001189860409 916962540 /nfs/dbraw/zinc/96/25/40/916962540.db2.gz GLVWEYQCMUOHNL-UHFFFAOYSA-N -2 0 376.330 3.534 20 0 GHADRL O=C(Nc1cccc(F)c1N1CCCCC1)c1ccccc1OP(=O)([O-])[O-] ZINC001189888305 916992039 /nfs/dbraw/zinc/99/20/39/916992039.db2.gz CPXSIVMHEQANDP-UHFFFAOYSA-N -2 0 394.339 3.540 20 0 GHADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000800844705 920521553 /nfs/dbraw/zinc/52/15/53/920521553.db2.gz HJWJWDKNAJTWEZ-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cnc1Cl ZINC000748674347 923775486 /nfs/dbraw/zinc/77/54/86/923775486.db2.gz QQHVNYMVFZGOFA-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)c(C)c1C(=O)[O-] ZINC000677124247 924248778 /nfs/dbraw/zinc/24/87/78/924248778.db2.gz VHBQYUJYEGLJLU-UHFFFAOYSA-N -2 0 398.440 3.990 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c(C)c1 ZINC000753774403 929529531 /nfs/dbraw/zinc/52/95/31/929529531.db2.gz KMGGSYJOZZMCAE-UHFFFAOYSA-N -2 0 383.853 3.855 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)cc1)C(=O)[O-] ZINC000545917670 929673020 /nfs/dbraw/zinc/67/30/20/929673020.db2.gz SGLSOUYKNVCUCU-INIZCTEOSA-N -2 0 398.484 3.997 20 0 GHADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000780416385 930512163 /nfs/dbraw/zinc/51/21/63/930512163.db2.gz CQDNZZTWZMHWLD-UHFFFAOYSA-N -2 0 381.837 3.658 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)nn1[C@@H](C)C1CC1 ZINC000783847156 931689231 /nfs/dbraw/zinc/68/92/31/931689231.db2.gz VOHYFRJPIHKFOF-NSHDSACASA-N -2 0 397.884 3.623 20 0 GHADRL Cc1cc(COc2ccc(/C=C\c3cc(C(=O)[O-])ncn3)cc2)oc1C(=O)[O-] ZINC000560075321 933051360 /nfs/dbraw/zinc/05/13/60/933051360.db2.gz HSJDVZYCWFMNMY-DJWKRKHSSA-N -2 0 380.356 3.524 20 0 GHADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(Cl)c1[O-] ZINC001116484278 933585275 /nfs/dbraw/zinc/58/52/75/933585275.db2.gz OATURPROSQPMJN-UHFFFAOYSA-N -2 0 377.853 3.808 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C(=O)[O-])c1 ZINC000322115584 970848781 /nfs/dbraw/zinc/84/87/81/970848781.db2.gz VRBLZIDEMPUJFA-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000323876372 971050614 /nfs/dbraw/zinc/05/06/14/971050614.db2.gz JXESWZHIGWJXSB-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(F)cc1Cl ZINC001259212574 960663969 /nfs/dbraw/zinc/66/39/69/960663969.db2.gz TUDILDZCOSYIAJ-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cn1 ZINC000316823707 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GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1C(F)(F)F ZINC000832950646 601384308 /nfs/dbraw/zinc/38/43/08/601384308.db2.gz RSJAPRJBTUOUES-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)c1C(=O)[O-] ZINC000832972770 601475299 /nfs/dbraw/zinc/47/52/99/601475299.db2.gz MIHIDNUIPVJFHV-UHFFFAOYSA-N -2 0 397.452 3.790 20 0 GHADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000833312202 601492678 /nfs/dbraw/zinc/49/26/78/601492678.db2.gz MCFDDHZWBBLTGT-UHFFFAOYSA-N -2 0 396.346 3.753 20 0 GHADRL Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000833036560 601558025 /nfs/dbraw/zinc/55/80/25/601558025.db2.gz IUXCHTOVWQGTNF-UHFFFAOYSA-N -2 0 384.866 3.701 20 0 GHADRL CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000827134104 601828875 /nfs/dbraw/zinc/82/88/75/601828875.db2.gz DHPCKQKFVPTHKO-UHFFFAOYSA-N -2 0 397.836 3.661 20 0 GHADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000069147662 601830839 /nfs/dbraw/zinc/83/08/39/601830839.db2.gz IHJKHNXMLQQNLC-UHFFFAOYSA-N -2 0 375.830 3.700 20 0 GHADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877714 601835020 /nfs/dbraw/zinc/83/50/20/601835020.db2.gz OXMMBPUOUNSZQA-UHFFFAOYSA-N -2 0 391.779 3.516 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877886 601837427 /nfs/dbraw/zinc/83/74/27/601837427.db2.gz SKUPUCTUZIUCMA-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)s2)cs1 ZINC000114607796 602194402 /nfs/dbraw/zinc/19/44/02/602194402.db2.gz PKWSJKDQUMSAIG-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000761890774 602317735 /nfs/dbraw/zinc/31/77/35/602317735.db2.gz APHHAPJTNTXVOR-UHFFFAOYSA-N -2 0 388.228 3.695 20 0 GHADRL O=C([O-])c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cc1F ZINC000833152535 604303099 /nfs/dbraw/zinc/30/30/99/604303099.db2.gz FJNUHYRIJGMMTB-UHFFFAOYSA-N -2 0 388.576 3.898 20 0 GHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1C(C)C ZINC000833493389 605151494 /nfs/dbraw/zinc/15/14/94/605151494.db2.gz KWLZKEHBPGPTQB-UHFFFAOYSA-N -2 0 399.900 3.815 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc(OC)c1C(C)C ZINC000833729251 605420499 /nfs/dbraw/zinc/42/04/99/605420499.db2.gz HGJUFFYSKWVRHR-UHFFFAOYSA-N -2 0 397.449 3.536 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)cc(C(=O)[O-])c1C ZINC000471118767 834753998 /nfs/dbraw/zinc/75/39/98/834753998.db2.gz KCMYKUNBVLSRTO-UHFFFAOYSA-N -2 0 385.445 3.501 20 0 GHADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000013340280 838038680 /nfs/dbraw/zinc/03/86/80/838038680.db2.gz OCLFMFAQBGITPV-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL CCn1cc(S(=O)(=O)[N-]c2ccc3nc(C(C)C)sc3c2)cc1C(=O)[O-] ZINC000504300087 838812142 /nfs/dbraw/zinc/81/21/42/838812142.db2.gz TUVMXTHRYBHVQB-UHFFFAOYSA-N -2 0 393.490 3.740 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000313811032 839245372 /nfs/dbraw/zinc/24/53/72/839245372.db2.gz WEWXIKVUUGBZLF-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)sc1C(=O)[O-] ZINC000048382715 841136558 /nfs/dbraw/zinc/13/65/58/841136558.db2.gz FUSIMXOKWNIAQX-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)sc1C(=O)[O-] ZINC000045774847 841785525 /nfs/dbraw/zinc/78/55/25/841785525.db2.gz SKGURKWDQAWFDJ-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL Cc1sc(/C=C/c2ccc(OCC(=O)[O-])c(Br)c2)nc1C(=O)[O-] ZINC000549619311 841990023 /nfs/dbraw/zinc/99/00/23/841990023.db2.gz CFMUCPZQVKPXEL-HWKANZROSA-N -2 0 398.234 3.546 20 0 GHADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000391342845 843175171 /nfs/dbraw/zinc/17/51/71/843175171.db2.gz CQKIWIPGTSVCHC-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471896701 843314155 /nfs/dbraw/zinc/31/41/55/843314155.db2.gz FNSRNXZSLARFOZ-UHFFFAOYSA-N -2 0 380.422 3.528 20 0 GHADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000548531459 845380639 /nfs/dbraw/zinc/38/06/39/845380639.db2.gz RAXHZQWSJRHFAB-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1cc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000443856026 862065450 /nfs/dbraw/zinc/06/54/50/862065450.db2.gz GASLCJLMNPGUHY-CYBMUJFWSA-N -2 0 378.432 3.535 20 0 GHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cscc2C(F)F)cc1 ZINC000899919281 862182858 /nfs/dbraw/zinc/18/28/58/862182858.db2.gz JQAAUKVGKRDDGE-UHFFFAOYSA-N -2 0 375.418 3.894 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cccc1C(=O)[O-] ZINC000489435905 852337235 /nfs/dbraw/zinc/33/72/35/852337235.db2.gz VMCGYNOBRZEQHZ-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL CC(C)(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000436893516 852445033 /nfs/dbraw/zinc/44/50/33/852445033.db2.gz PNNLOQATFSVSTC-UHFFFAOYSA-N -2 0 379.463 3.602 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2F)ccc1-n1cccc1C(=O)[O-] ZINC000589149620 854724399 /nfs/dbraw/zinc/72/43/99/854724399.db2.gz RPDLYVIPIBMBNK-UHFFFAOYSA-N -2 0 392.383 3.563 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)sc1C(=O)[O-] ZINC000055582452 855351912 /nfs/dbraw/zinc/35/19/12/855351912.db2.gz QCWKJPVPMXYSTC-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)sc1C(=O)[O-] ZINC000055632915 855363294 /nfs/dbraw/zinc/36/32/94/855363294.db2.gz UIOJBOOHAZMGHV-UHFFFAOYSA-N -2 0 381.475 3.877 20 0 GHADRL COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000676075343 857730319 /nfs/dbraw/zinc/73/03/19/857730319.db2.gz LNCOMNSCZBBOCW-UHFFFAOYSA-N -2 0 381.425 3.631 20 0 GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000183348394 858724935 /nfs/dbraw/zinc/72/49/35/858724935.db2.gz DVKRBXIZKKLCQH-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1 ZINC000327390339 859912724 /nfs/dbraw/zinc/91/27/24/859912724.db2.gz INCJJZZRCVUMDW-UHFFFAOYSA-N -2 0 380.447 3.820 20 0 GHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000484498440 860046892 /nfs/dbraw/zinc/04/68/92/860046892.db2.gz KJNSGCDOFXFTNP-UHFFFAOYSA-N -2 0 375.833 3.921 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])s1 ZINC000484507413 860056620 /nfs/dbraw/zinc/05/66/20/860056620.db2.gz SXBGPCDKFWMSQG-UHFFFAOYSA-N -2 0 385.532 3.987 20 0 GHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000484538217 860095782 /nfs/dbraw/zinc/09/57/82/860095782.db2.gz RYDKGTXTVVFLIK-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)c2)cs1 ZINC000327545358 860251438 /nfs/dbraw/zinc/25/14/38/860251438.db2.gz CSSUAYFXWLLSHX-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1C(F)(F)F ZINC000120320198 881532646 /nfs/dbraw/zinc/53/26/46/881532646.db2.gz NUQABKVRBYGKAG-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000509091374 860965243 /nfs/dbraw/zinc/96/52/43/860965243.db2.gz XYSSQYGXQFVFFR-UHFFFAOYSA-N -2 0 393.461 3.598 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000607103335 864071908 /nfs/dbraw/zinc/07/19/08/864071908.db2.gz OAMMHPSYBLAQPH-UHFFFAOYSA-N -2 0 397.399 3.561 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1-c1cccc(C)c1 ZINC000480228666 864304316 /nfs/dbraw/zinc/30/43/16/864304316.db2.gz OWKFBLJRVMZSNB-UHFFFAOYSA-N -2 0 399.472 3.551 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)c(C)c1C(=O)[O-] ZINC000479572143 868100925 /nfs/dbraw/zinc/10/09/25/868100925.db2.gz ZTFULOWQXOBSEO-UHFFFAOYSA-N -2 0 377.462 3.806 20 0 GHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793403832 882178745 /nfs/dbraw/zinc/17/87/45/882178745.db2.gz FEHWAVVORYTDSH-UHFFFAOYSA-N -2 0 387.816 3.685 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cnn1C(CC)CC ZINC000793431294 882181348 /nfs/dbraw/zinc/18/13/48/882181348.db2.gz YUDKUANLSKZHBK-UHFFFAOYSA-N -2 0 397.472 3.753 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)c1 ZINC000745977975 869924027 /nfs/dbraw/zinc/92/40/27/869924027.db2.gz KGSGRYUECWYREH-UHFFFAOYSA-N -2 0 379.409 3.646 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)ccc1F ZINC000446634762 870121188 /nfs/dbraw/zinc/12/11/88/870121188.db2.gz OFGWQGQFFZTESY-UHFFFAOYSA-N -2 0 387.454 3.692 20 0 GHADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-] ZINC000618761854 882422268 /nfs/dbraw/zinc/42/22/68/882422268.db2.gz MZMXTLDRBHSUMS-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc3cccnc32)c(Cl)cc1F ZINC001194011964 871431584 /nfs/dbraw/zinc/43/15/84/871431584.db2.gz SBDHNGYAVOFLKS-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL COc1ccsc1S(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000539238184 871572570 /nfs/dbraw/zinc/57/25/70/871572570.db2.gz JNHPNPJIMXMPJF-UHFFFAOYSA-N -2 0 395.483 3.984 20 0 GHADRL Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195227796 872269710 /nfs/dbraw/zinc/26/97/10/872269710.db2.gz WRNLRNZAAFEZIZ-UHFFFAOYSA-N -2 0 395.305 3.791 20 0 GHADRL O=S(=O)([N-]c1ccc(Cl)cc1[S-])c1ccc(Br)cn1 ZINC001196167933 872926405 /nfs/dbraw/zinc/92/64/05/872926405.db2.gz PZOYOMZQFUYEMC-UHFFFAOYSA-N -2 0 379.688 3.587 20 0 GHADRL O=S(=O)([N-]c1cc(Cl)ccc1[S-])c1cccc(Br)n1 ZINC001196308579 873001311 /nfs/dbraw/zinc/00/13/11/873001311.db2.gz YJPIIXKTMIBDOI-UHFFFAOYSA-N -2 0 379.688 3.587 20 0 GHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000541306616 873331676 /nfs/dbraw/zinc/33/16/76/873331676.db2.gz OOEICXXMQUIOQY-UHFFFAOYSA-N -2 0 397.884 3.849 20 0 GHADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000541931458 874558067 /nfs/dbraw/zinc/55/80/67/874558067.db2.gz YXNZROVMKNXIFB-UHFFFAOYSA-N -2 0 383.853 3.557 20 0 GHADRL CC(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198747456 874595574 /nfs/dbraw/zinc/59/55/74/874595574.db2.gz ZSVGWAPASNVIAK-UHFFFAOYSA-N -2 0 385.445 3.630 20 0 GHADRL COc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198783494 874606549 /nfs/dbraw/zinc/60/65/49/874606549.db2.gz YCYHRSZWGWPXBI-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000475743546 883016810 /nfs/dbraw/zinc/01/68/10/883016810.db2.gz HNFTXBZTYFQZJX-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1 ZINC000178955635 879295677 /nfs/dbraw/zinc/29/56/77/879295677.db2.gz KNTLJEHEJSXIDV-UHFFFAOYSA-N -2 0 391.424 3.564 20 0 GHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)s1 ZINC000776742653 879826937 /nfs/dbraw/zinc/82/69/37/879826937.db2.gz WTGNLIYPLXHMNH-UHFFFAOYSA-N -2 0 388.898 3.865 20 0 GHADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000760363359 883996772 /nfs/dbraw/zinc/99/67/72/883996772.db2.gz VZKIHSNEJXVKQQ-UHFFFAOYSA-N -2 0 385.319 3.658 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000476413669 885669527 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/nfs/dbraw/zinc/33/91/18/601339118.db2.gz JJXBEPLJCFPPHS-CQSZACIVSA-N -2 0 398.440 3.721 20 0 GHADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)s1 ZINC000755259456 601486724 /nfs/dbraw/zinc/48/67/24/601486724.db2.gz WOZGUYKQLFQXGA-UHFFFAOYSA-N -2 0 381.262 3.566 20 0 GHADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cccc4ccccc43)nc2n1 ZINC000832867625 601501008 /nfs/dbraw/zinc/50/10/08/601501008.db2.gz OYHQHAQVLFXXJK-UHFFFAOYSA-N -2 0 399.453 3.652 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1C(=O)[O-] ZINC000833029883 601558143 /nfs/dbraw/zinc/55/81/43/601558143.db2.gz NQQLVATZCSDBMW-UHFFFAOYSA-N -2 0 377.340 3.582 20 0 GHADRL O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000833318453 601558604 /nfs/dbraw/zinc/55/86/04/601558604.db2.gz PKEFTYORNFLYBY-UHFFFAOYSA-N -2 0 386.429 3.532 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)n2)c1 ZINC000827129545 601756589 /nfs/dbraw/zinc/75/65/89/601756589.db2.gz QYRQHMYYGXBYCJ-KRWDZBQOSA-N -2 0 391.427 3.530 20 0 GHADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000484501623 601988035 /nfs/dbraw/zinc/98/80/35/601988035.db2.gz PWUHKRXNQHQEPZ-UHFFFAOYSA-N -2 0 381.862 3.983 20 0 GHADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000832856269 602104023 /nfs/dbraw/zinc/10/40/23/602104023.db2.gz OBEUIERUIPRBBA-UHFFFAOYSA-N -2 0 398.437 3.545 20 0 GHADRL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3cc(Cl)sc3Cl)ccc21 ZINC000740530189 602246760 /nfs/dbraw/zinc/24/67/60/602246760.db2.gz VDYIYOWUBMHPGW-UHFFFAOYSA-N -2 0 393.273 3.896 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(Cl)c1Cl ZINC000677234961 602322282 /nfs/dbraw/zinc/32/22/82/602322282.db2.gz VLNZNNOXOMSJOR-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000740703031 602653458 /nfs/dbraw/zinc/65/34/58/602653458.db2.gz HFTXNQAYMZVNBN-UHFFFAOYSA-N -2 0 393.421 3.840 20 0 GHADRL C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000825238684 604297325 /nfs/dbraw/zinc/29/73/25/604297325.db2.gz ZWYDFLNFUZNEQV-NWDGAFQWSA-N -2 0 376.840 3.707 20 0 GHADRL CC1=C(C(=O)[O-])[C@H](c2ccc(C(C)(C)C)s2)NC(=O)N1CCCCC(=O)[O-] ZINC000828136007 604405858 /nfs/dbraw/zinc/40/58/58/604405858.db2.gz QVZKMVRNNAOUEU-INIZCTEOSA-N -2 0 394.493 3.725 20 0 GHADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)n1 ZINC000833243248 604625077 /nfs/dbraw/zinc/62/50/77/604625077.db2.gz DXZYQLWXEVLUDK-UHFFFAOYSA-N -2 0 388.470 3.628 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cs1 ZINC000227591520 604792248 /nfs/dbraw/zinc/79/22/48/604792248.db2.gz YLTGYDXCKLGSSV-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1Br ZINC000152458206 605002085 /nfs/dbraw/zinc/00/20/85/605002085.db2.gz FHMFHYSKGUSWEI-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)s1 ZINC000833323613 605010361 /nfs/dbraw/zinc/01/03/61/605010361.db2.gz SCYAOWLSEJAIAQ-UHFFFAOYSA-N -2 0 392.483 3.793 20 0 GHADRL Cc1ccccc1-c1csc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC000833753368 605011485 /nfs/dbraw/zinc/01/14/85/605011485.db2.gz RKNAGGMMCQFUAV-UHFFFAOYSA-N -2 0 388.470 3.759 20 0 GHADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000833747366 605119643 /nfs/dbraw/zinc/11/96/43/605119643.db2.gz MJHWHKDSGOKDKG-UHFFFAOYSA-N -2 0 398.278 3.576 20 0 GHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C(C)C ZINC000766325110 605151509 /nfs/dbraw/zinc/15/15/09/605151509.db2.gz BAIHIJYKSMDFQQ-UHFFFAOYSA-N -2 0 399.900 3.815 20 0 GHADRL CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)ccc2o1 ZINC000833431554 605183233 /nfs/dbraw/zinc/18/32/33/605183233.db2.gz QLQOIABMLHHBPL-UHFFFAOYSA-N -2 0 378.406 3.508 20 0 GHADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1F ZINC000547932417 837665475 /nfs/dbraw/zinc/66/54/75/837665475.db2.gz BZTGHIZHYYOJQU-UHFFFAOYSA-N -2 0 396.396 3.587 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)c(C)s1 ZINC000471964310 844117460 /nfs/dbraw/zinc/11/74/60/844117460.db2.gz NEQJRMFEUPQQAC-UHFFFAOYSA-N -2 0 395.380 3.763 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432057754 840572848 /nfs/dbraw/zinc/57/28/48/840572848.db2.gz PWFSYSLPCVXOLP-UHFFFAOYSA-N -2 0 391.367 3.927 20 0 GHADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000548198080 842000741 /nfs/dbraw/zinc/00/07/41/842000741.db2.gz BDCUDXFEARUNLM-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1Cl ZINC000324635722 843287266 /nfs/dbraw/zinc/28/72/66/843287266.db2.gz SFONWTQSQOXMKD-UHFFFAOYSA-N -2 0 390.244 3.815 20 0 GHADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000548611492 845793337 /nfs/dbraw/zinc/79/33/37/845793337.db2.gz TYANMWUNCJFXEM-AWEZNQCLSA-N -2 0 384.457 3.607 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000505125437 850648930 /nfs/dbraw/zinc/64/89/30/850648930.db2.gz SMHJWOYMYSJENS-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)cc1F ZINC000489695718 852531079 /nfs/dbraw/zinc/53/10/79/852531079.db2.gz LOXCZJXJHORMDK-UHFFFAOYSA-N -2 0 379.409 3.646 20 0 GHADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1O ZINC000438775295 852835903 /nfs/dbraw/zinc/83/59/03/852835903.db2.gz WTUSBTXYWPMCBN-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cccc1-c1ncco1 ZINC000427348964 853013858 /nfs/dbraw/zinc/01/38/58/853013858.db2.gz FEVRDAHRGJGBHX-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000509591674 853024055 /nfs/dbraw/zinc/02/40/55/853024055.db2.gz QQYRGPZINWCXQE-UHFFFAOYSA-N -2 0 381.425 3.668 20 0 GHADRL Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC000437672243 853403066 /nfs/dbraw/zinc/40/30/66/853403066.db2.gz VESWNZHFBAMFSP-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC000485392199 856453136 /nfs/dbraw/zinc/45/31/36/856453136.db2.gz XQACAVXUCSFQSU-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)(C)C)ccc1C(=O)[O-] ZINC000507987242 856776341 /nfs/dbraw/zinc/77/63/41/856776341.db2.gz XCYVFUIONNDQHQ-UHFFFAOYSA-N -2 0 381.425 3.810 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000486081166 857400128 /nfs/dbraw/zinc/40/01/28/857400128.db2.gz PXJXQUVCEYNBGZ-UHFFFAOYSA-N -2 0 393.509 3.860 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)cc1C(=O)[O-] ZINC000443531254 858900519 /nfs/dbraw/zinc/90/05/19/858900519.db2.gz PTHIATUFMJWOJR-UHFFFAOYSA-N -2 0 377.462 3.751 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1Br ZINC000484581548 860160785 /nfs/dbraw/zinc/16/07/85/860160785.db2.gz GYSZALYWUCWSGK-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000484958800 860538986 /nfs/dbraw/zinc/53/89/86/860538986.db2.gz NROXVRYSUYIIKL-UHFFFAOYSA-N -2 0 381.475 3.696 20 0 GHADRL C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2[n-]c1=S ZINC000172109218 863226035 /nfs/dbraw/zinc/22/60/35/863226035.db2.gz IFYBIDATDFBRBZ-UHFFFAOYSA-N -2 0 387.848 3.856 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1C ZINC000607103276 864071104 /nfs/dbraw/zinc/07/11/04/864071104.db2.gz ZXOQYKIIDYPIFR-UHFFFAOYSA-N -2 0 375.446 3.591 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)c(C)c1C(=O)[O-] ZINC000480210748 864273647 /nfs/dbraw/zinc/27/36/47/864273647.db2.gz UKRGNMKDUVISAS-UHFFFAOYSA-N -2 0 393.436 3.730 20 0 GHADRL CC(C)c1nc(/C=C\c2ccc(OC(F)(F)C(=O)[O-])cc2)ncc1C(=O)[O-] ZINC000740616761 865956149 /nfs/dbraw/zinc/95/61/49/865956149.db2.gz SKGMXFBWIUWOQO-YVMONPNESA-N -2 0 378.331 3.525 20 0 GHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000535137820 868236228 /nfs/dbraw/zinc/23/62/28/868236228.db2.gz MXVJFYTUZKVLCP-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cn1 ZINC000446633496 870120222 /nfs/dbraw/zinc/12/02/22/870120222.db2.gz HHJBGOIQBQVJDH-JTQLQIEISA-N -2 0 397.522 3.712 20 0 GHADRL Cc1cc(O)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001192430144 870358761 /nfs/dbraw/zinc/35/87/61/870358761.db2.gz GLNZJGNIGSABCG-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnccc2Cl)cc1 ZINC001192897664 870753693 /nfs/dbraw/zinc/75/36/93/870753693.db2.gz SXNAQNXUQQAKRL-OAHLLOKOSA-N -2 0 382.869 3.750 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CC3)cc2)c(Cl)cc1F ZINC001194021482 871438234 /nfs/dbraw/zinc/43/82/34/871438234.db2.gz ATDISPFGEJEOPR-UHFFFAOYSA-N -2 0 397.811 3.571 20 0 GHADRL Cc1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)ccc2n1 ZINC001194001867 871457863 /nfs/dbraw/zinc/45/78/63/871457863.db2.gz IZIKUGSMZYOHJY-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(C(F)(F)F)c1 ZINC000182491044 872447964 /nfs/dbraw/zinc/44/79/64/872447964.db2.gz XDGTXQVENBYOIY-UHFFFAOYSA-N -2 0 396.730 3.773 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)COC4)cc2)c1 ZINC001196067491 872838930 /nfs/dbraw/zinc/83/89/30/872838930.db2.gz ZFOCPILQJWEWJF-UHFFFAOYSA-N -2 0 395.436 3.883 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)c(C)c1 ZINC000769619915 874201276 /nfs/dbraw/zinc/20/12/76/874201276.db2.gz GVCKHSGODGJZMT-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1cccc(Cl)n1 ZINC001198232709 874301412 /nfs/dbraw/zinc/30/14/12/874301412.db2.gz CUIOAQNFYHBXQF-UHFFFAOYSA-N -2 0 379.688 3.587 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1CCC(C)C ZINC000491602073 875835714 /nfs/dbraw/zinc/83/57/14/875835714.db2.gz QRMNTYILFVVOJC-UHFFFAOYSA-N -2 0 399.900 3.644 20 0 GHADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000477336457 877452338 /nfs/dbraw/zinc/45/23/38/877452338.db2.gz APLJYQXYGNBLPQ-UHFFFAOYSA-N -2 0 384.457 3.706 20 0 GHADRL Cc1cc(C(=O)Nc2ccc3oc4ccccc4c3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000530575295 878057295 /nfs/dbraw/zinc/05/72/95/878057295.db2.gz RYZDHCNBDFPFAK-UHFFFAOYSA-N -2 0 386.367 3.896 20 0 GHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000003368583 878946688 /nfs/dbraw/zinc/94/66/88/878946688.db2.gz YHNUPFAKCCZBRY-UHFFFAOYSA-N -2 0 393.770 3.787 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000790393943 879664503 /nfs/dbraw/zinc/66/45/03/879664503.db2.gz MCJDKNBDAKWEAL-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2C)c1C ZINC000476282896 884370613 /nfs/dbraw/zinc/37/06/13/884370613.db2.gz WXXNMHKGAPWKCE-UHFFFAOYSA-N -2 0 398.278 3.873 20 0 GHADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000794590002 887595556 /nfs/dbraw/zinc/59/55/56/887595556.db2.gz MJRPCKGIPGPGQR-UHFFFAOYSA-N -2 0 381.837 3.740 20 0 GHADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000614852318 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GHADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000126464368 893561327 /nfs/dbraw/zinc/56/13/27/893561327.db2.gz PBKHYZVSDGPACR-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000567352019 897085202 /nfs/dbraw/zinc/08/52/02/897085202.db2.gz LYIBOYHHGXGTME-SECBINFHSA-N -2 0 390.661 3.525 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1OC(C)C ZINC000577925649 903351457 /nfs/dbraw/zinc/35/14/57/903351457.db2.gz ZWMDLJUIKJDQMK-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000578955306 904252011 /nfs/dbraw/zinc/25/20/11/904252011.db2.gz LTEUIFAYROGJPO-UHFFFAOYSA-N -2 0 393.461 3.598 20 0 GHADRL O=C(Nc1ccc(F)c(Br)c1[O-])c1cc(F)c(F)c([O-])c1F ZINC001186780777 914803288 /nfs/dbraw/zinc/80/32/88/914803288.db2.gz YHFMPFLLAAQJQD-UHFFFAOYSA-N -2 0 380.091 3.669 20 0 GHADRL NC(=O)c1cc(-c2ccccc2)sc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237009 907999259 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20 0 GHADRL CC(C)Oc1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188323367 915887731 /nfs/dbraw/zinc/88/77/31/915887731.db2.gz OYOPBYCLURIBDY-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL O=C(NC1c2ccccc2Oc2ccccc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189898713 916996217 /nfs/dbraw/zinc/99/62/17/916996217.db2.gz GBQDYFDADDTTPD-UHFFFAOYSA-N -2 0 397.323 3.783 20 0 GHADRL O=S(=O)([N-]c1ccc2[n-]c(=S)sc2c1)c1cc(F)cc(F)c1F ZINC001190391247 917296091 /nfs/dbraw/zinc/29/60/91/917296091.db2.gz UHKZAAKCXCJVQN-UHFFFAOYSA-N -2 0 376.406 3.803 20 0 GHADRL Cc1csc(-c2cccc(S(=O)(=O)Nc3ccc(F)c(C(=O)[O-])c3)c2)n1 ZINC000410057689 925292837 /nfs/dbraw/zinc/29/28/37/925292837.db2.gz GEVXRJYLVBEYAQ-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c(Cl)c1 ZINC000410395512 925608251 /nfs/dbraw/zinc/60/82/51/925608251.db2.gz CNEUIRHEUAORNW-UHFFFAOYSA-N -2 0 383.853 3.935 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cccc1C(=O)[O-] ZINC000410402895 925613120 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CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1C ZINC001595531844 981368473 /nfs/dbraw/zinc/36/84/73/981368473.db2.gz UOOVGWYYKSOXMB-UHFFFAOYSA-N -2 0 396.490 3.603 20 0 GHADRL CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595937271 983083343 /nfs/dbraw/zinc/08/33/43/983083343.db2.gz YKRQSPINEHVIMP-UHFFFAOYSA-N -2 0 392.355 3.619 20 0 GHADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001599514475 997359419 /nfs/dbraw/zinc/35/94/19/997359419.db2.gz VGDMCYKBIBHHGU-CQSZACIVSA-N -2 0 384.215 3.653 20 0 GHADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599579488 998503673 /nfs/dbraw/zinc/50/36/73/998503673.db2.gz GFDGLFJONDXFSF-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CC(C)c1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)ccc2o1 ZINC000756931223 1023872776 /nfs/dbraw/zinc/87/27/76/1023872776.db2.gz NRUZNCBPEQYQAO-UHFFFAOYSA-N -2 0 396.371 3.728 20 0 GHADRL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000756937062 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IGWOIWFGDJYGLQ-UHFFFAOYSA-N -2 0 389.857 3.918 20 0 GHADRL O=S(=O)(Cc1ccc(F)cc1)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC001259254123 1045045183 /nfs/dbraw/zinc/04/51/83/1045045183.db2.gz CQKFKKMSEGFWDR-UHFFFAOYSA-N -2 0 394.649 3.889 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)ccc2O)c1 ZINC001260190708 1045406162 /nfs/dbraw/zinc/40/61/62/1045406162.db2.gz BDMHPPHTYHYDMA-UHFFFAOYSA-N -2 0 375.446 3.939 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2F)cc1 ZINC001260221791 1045419674 /nfs/dbraw/zinc/41/96/74/1045419674.db2.gz TVJNMHRZEJLORH-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[S-] ZINC001260648800 1045590503 /nfs/dbraw/zinc/59/05/03/1045590503.db2.gz CQAZJQBFALJNGG-UHFFFAOYSA-N -2 0 381.372 3.943 20 0 GHADRL O=S(=O)([N-]c1cnc(-c2ccccc2)cn1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868230 1045724464 /nfs/dbraw/zinc/72/44/64/1045724464.db2.gz UCMSOPJZWUTDOQ-UHFFFAOYSA-N -2 0 396.255 3.957 20 0 GHADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000071977732 222201729 /nfs/dbraw/zinc/20/17/29/222201729.db2.gz KVTLHCAGIRVGIZ-UHFFFAOYSA-N -2 0 399.472 3.554 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)o1 ZINC000740178020 599739110 /nfs/dbraw/zinc/73/91/10/599739110.db2.gz ZUUAXXIQYONCEY-UHFFFAOYSA-N -2 0 385.825 3.753 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2SC(F)F)o1 ZINC000740187718 599740334 /nfs/dbraw/zinc/74/03/34/599740334.db2.gz QOCCAWWIFNGALN-UHFFFAOYSA-N -2 0 383.781 3.747 20 0 GHADRL CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)sc2C1 ZINC000736972843 600055701 /nfs/dbraw/zinc/05/57/01/600055701.db2.gz HHKCLYPGMJHBAJ-LLVKDONJSA-N -2 0 380.491 3.547 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)s1 ZINC000737267310 600069114 /nfs/dbraw/zinc/06/91/14/600069114.db2.gz FSAKNNNHOBNYOV-UHFFFAOYSA-N -2 0 385.532 3.819 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)s1 ZINC000740187827 600106210 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3.754 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)ccc1C(=O)[O-] ZINC000327550062 600887376 /nfs/dbraw/zinc/88/73/76/600887376.db2.gz ARDDZPJBMOBTEQ-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(Cl)c1Cl ZINC000543663821 601045789 /nfs/dbraw/zinc/04/57/89/601045789.db2.gz SJWDNNQTJUEBQV-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])C1 ZINC000833188032 601213019 /nfs/dbraw/zinc/21/30/19/601213019.db2.gz VFVYCYHNMHDIJI-YUMQZZPRSA-N -2 0 376.634 3.638 20 0 GHADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000324222290 601325581 /nfs/dbraw/zinc/32/55/81/601325581.db2.gz SBDJJMQSGRTFAB-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)sc1C(=O)[O-] ZINC000833002720 601339317 /nfs/dbraw/zinc/33/93/17/601339317.db2.gz FUSHSYBHWYEYBM-UHFFFAOYSA-N -2 0 388.879 3.819 20 0 GHADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000833345192 601384484 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Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])s2)cs1 ZINC000542722819 602195361 /nfs/dbraw/zinc/19/53/61/602195361.db2.gz GJCPFFVOPSIKKP-UHFFFAOYSA-N -2 0 380.472 3.679 20 0 GHADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000739924642 602652647 /nfs/dbraw/zinc/65/26/47/602652647.db2.gz TWBNCIBSIKGREE-UHFFFAOYSA-N -2 0 391.232 3.893 20 0 GHADRL CN(Cc1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000739717371 602654350 /nfs/dbraw/zinc/65/43/50/602654350.db2.gz YHUOYLWUVGWKDG-UHFFFAOYSA-N -2 0 389.260 3.904 20 0 GHADRL CC1=C(C(=O)[O-])[C@@H](c2cscc2Cl)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000828136594 604463240 /nfs/dbraw/zinc/46/32/40/604463240.db2.gz WPTQYOHLVOFAEN-CQSZACIVSA-N -2 0 392.820 3.729 20 0 GHADRL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833447127 605118650 /nfs/dbraw/zinc/11/86/50/605118650.db2.gz BMNPWEGGKHATTQ-UHFFFAOYSA-N -2 0 385.388 3.641 20 0 GHADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833660902 605168804 /nfs/dbraw/zinc/16/88/04/605168804.db2.gz WDXIIMOGFGPMGN-UHFFFAOYSA-N -2 0 390.244 3.891 20 0 GHADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])n[nH]1 ZINC000833753398 605169663 /nfs/dbraw/zinc/16/96/63/605169663.db2.gz TYNMMXFCJBSUAB-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cn2)c1C ZINC000833753266 605188740 /nfs/dbraw/zinc/18/87/40/605188740.db2.gz IPCAEIUIRCTBBM-UHFFFAOYSA-N -2 0 388.401 3.583 20 0 GHADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000471136161 834892906 /nfs/dbraw/zinc/89/29/06/834892906.db2.gz IDOLYFJHCGFCJF-UHFFFAOYSA-N -2 0 393.461 3.598 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)cc(C(=O)[O-])c1C ZINC000471135882 834902935 /nfs/dbraw/zinc/90/29/35/834902935.db2.gz GGPPUZFFWNAXGL-UHFFFAOYSA-N -2 0 385.388 3.712 20 0 GHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000313727712 839166478 /nfs/dbraw/zinc/16/64/78/839166478.db2.gz CCDCWZDRPCNGIK-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)c1 ZINC000656511232 841224033 /nfs/dbraw/zinc/22/40/33/841224033.db2.gz QCBJKEKALHCXRR-NSHDSACASA-N -2 0 397.424 3.511 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)sc1C(=O)[O-] ZINC000107524706 842651489 /nfs/dbraw/zinc/65/14/89/842651489.db2.gz UPENZJPGKBZDFH-UHFFFAOYSA-N -2 0 394.518 3.792 20 0 GHADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471901469 843352626 /nfs/dbraw/zinc/35/26/26/843352626.db2.gz UROAYQDXHLPQGC-UHFFFAOYSA-N -2 0 376.409 3.929 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1SC ZINC000436016766 851125455 /nfs/dbraw/zinc/12/54/55/851125455.db2.gz MNOHZXHNLCLZJH-UHFFFAOYSA-N -2 0 387.866 3.570 20 0 GHADRL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000488268313 851330891 /nfs/dbraw/zinc/33/08/91/851330891.db2.gz WIIHERYAKJDBLJ-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL O=C([O-])c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])ccc1Cl ZINC000436473920 851959040 /nfs/dbraw/zinc/95/90/40/851959040.db2.gz AMGDOWGGCAZGFZ-UHFFFAOYSA-N -2 0 395.742 3.563 20 0 GHADRL O=C([O-])c1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c(F)c1F ZINC001212514207 862340667 /nfs/dbraw/zinc/34/06/67/862340667.db2.gz HVAVUEIAWCOWND-UHFFFAOYSA-N -2 0 379.340 3.807 20 0 GHADRL O=C(Nc1cccc(NC(=O)c2c([O-])cccc2F)c1)c1c([O-])cccc1F ZINC000436824192 852392963 /nfs/dbraw/zinc/39/29/63/852392963.db2.gz ACJAPMSMPSKBHQ-UHFFFAOYSA-N -2 0 384.338 3.881 20 0 GHADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489711468 852539690 /nfs/dbraw/zinc/53/96/90/852539690.db2.gz BDCRXDHVHYVHTB-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000591681419 856213958 /nfs/dbraw/zinc/21/39/58/856213958.db2.gz NDOCHKPVQCXOER-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000058519075 856959753 /nfs/dbraw/zinc/95/97/53/856959753.db2.gz XRZKLSFTDSEWSP-UHFFFAOYSA-N -2 0 397.474 3.512 20 0 GHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cnn1-c1ccccc1 ZINC000543023559 857919114 /nfs/dbraw/zinc/91/91/14/857919114.db2.gz WZNLABZKJJBWOR-UHFFFAOYSA-N -2 0 399.472 3.632 20 0 GHADRL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2O1 ZINC000442837409 858175301 /nfs/dbraw/zinc/17/53/01/858175301.db2.gz PYCRDRQUWMCLLV-KRWDZBQOSA-N -2 0 397.836 3.736 20 0 GHADRL Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000120325103 881381799 /nfs/dbraw/zinc/38/17/99/881381799.db2.gz HEIHWKSJOFLWPO-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ccccc2)c1 ZINC000673484692 859557323 /nfs/dbraw/zinc/55/73/23/859557323.db2.gz JGKUVEBFPWRTJF-UHFFFAOYSA-N -2 0 383.425 3.861 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(Br)c1 ZINC000097573169 860342201 /nfs/dbraw/zinc/34/22/01/860342201.db2.gz IRHFYPCPWCAPED-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL Cc1cc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000484934541 860517391 /nfs/dbraw/zinc/51/73/91/860517391.db2.gz JHAQRURBKXNRDV-UHFFFAOYSA-N -2 0 398.422 3.614 20 0 GHADRL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccc(Cl)cc1 ZINC000509063394 860750268 /nfs/dbraw/zinc/75/02/68/860750268.db2.gz FQRYMJMTRXMKCC-NSHDSACASA-N -2 0 399.852 3.607 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1C(CC)CC ZINC000480224785 864295697 /nfs/dbraw/zinc/29/56/97/864295697.db2.gz JVDCPCRPZJAHIT-UHFFFAOYSA-N -2 0 379.482 3.614 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1C(CC)CC ZINC000480250063 864359085 /nfs/dbraw/zinc/35/90/85/864359085.db2.gz RAONWKPVJYQRLP-UHFFFAOYSA-N -2 0 399.900 3.959 20 0 GHADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000555374666 866022212 /nfs/dbraw/zinc/02/22/12/866022212.db2.gz ZCCNBUSKIXJACE-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479231587 867412439 /nfs/dbraw/zinc/41/24/39/867412439.db2.gz JCVDUMPAYHLNCR-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1C(=O)[O-] ZINC000479233239 867416658 /nfs/dbraw/zinc/41/66/58/867416658.db2.gz ZJTHBRGARYOTRG-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL CCn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cc1C1CC1 ZINC000446620119 870104244 /nfs/dbraw/zinc/10/42/44/870104244.db2.gz MQJUVMRIBXPUTN-UHFFFAOYSA-N -2 0 397.522 3.638 20 0 GHADRL CCCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000446638937 870128289 /nfs/dbraw/zinc/12/82/89/870128289.db2.gz QBYMNACPJOFNBO-UHFFFAOYSA-N -2 0 399.472 3.632 20 0 GHADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1O ZINC001192430675 870359093 /nfs/dbraw/zinc/35/90/93/870359093.db2.gz VJAWBUNRKXNXHY-UHFFFAOYSA-N -2 0 394.207 3.646 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccc(F)cc3c2)c(Cl)cc1F ZINC001193974500 871411254 /nfs/dbraw/zinc/41/12/54/871411254.db2.gz MMBAZTPNQYQATO-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001195156391 872221764 /nfs/dbraw/zinc/22/17/64/872221764.db2.gz KVDZSPDLCXRDJH-UHFFFAOYSA-N -2 0 389.882 3.511 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1)C(=O)[O-] ZINC000463778544 872556596 /nfs/dbraw/zinc/55/65/96/872556596.db2.gz NVXADWUFADBMCP-NSHDSACASA-N -2 0 387.379 3.558 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cnc(F)c(F)c3)cc2)c1 ZINC001196074965 872864009 /nfs/dbraw/zinc/86/40/09/872864009.db2.gz AWXCTLSVJVJPCV-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1 ZINC001196090916 872873802 /nfs/dbraw/zinc/87/38/02/872873802.db2.gz VOJORLLEDNIMJK-UHFFFAOYSA-N -2 0 399.424 3.567 20 0 GHADRL CC(C)c1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000192154574 882818267 /nfs/dbraw/zinc/81/82/67/882818267.db2.gz YNQQDYXRQOJSMA-UHFFFAOYSA-N -2 0 391.474 3.556 20 0 GHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000542094566 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0 385.873 3.623 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c(Cl)cc1F ZINC000776749064 879913708 /nfs/dbraw/zinc/91/37/08/879913708.db2.gz VXSOPJRAKBFGMQ-UHFFFAOYSA-N -2 0 396.783 3.633 20 0 GHADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000321119563 883371901 /nfs/dbraw/zinc/37/19/01/883371901.db2.gz PWVQTMWSTKDGOW-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br ZINC000322898721 886308783 /nfs/dbraw/zinc/30/87/83/886308783.db2.gz CFZSAYHIQOGILK-UHFFFAOYSA-N -2 0 398.278 3.873 20 0 GHADRL O=P([O-])([O-])Oc1c[nH]c2ccc(Br)c(NC[C@H]3C[C@H](F)C3)c21 ZINC001168238346 886372414 /nfs/dbraw/zinc/37/24/14/886372414.db2.gz XKXCYJHXDNFTTR-ZKCHVHJHSA-N -2 0 393.149 3.562 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)sc1C(=O)[O-] ZINC000055583703 888205724 /nfs/dbraw/zinc/20/57/24/888205724.db2.gz FQSVQLBQDBZNEX-UHFFFAOYSA-N -2 0 381.475 3.877 20 0 GHADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000326258299 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3.663 20 0 GHADRL C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000066814177 599974204 /nfs/dbraw/zinc/97/42/04/599974204.db2.gz FTCTYSMCJQFRRI-SNVBAGLBSA-N -2 0 382.488 3.641 20 0 GHADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000322002518 600005258 /nfs/dbraw/zinc/00/52/58/600005258.db2.gz YBDVXWOTCCDPFO-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c(C)c1O ZINC000327170824 600052736 /nfs/dbraw/zinc/05/27/36/600052736.db2.gz YUDMJDHYVSGCRL-UHFFFAOYSA-N -2 0 377.443 3.723 20 0 GHADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737192616 600053241 /nfs/dbraw/zinc/05/32/41/600053241.db2.gz WDDDLWFQPIEZNI-UHFFFAOYSA-N -2 0 395.433 3.938 20 0 GHADRL Cc1cccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(C(=O)[O-])c3)s2)c1 ZINC000738747605 600056274 /nfs/dbraw/zinc/05/62/74/600056274.db2.gz YLNLHZKQFSVQIW-UHFFFAOYSA-N -2 0 388.470 3.541 20 0 GHADRL O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000740143019 600104157 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GHADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c2ccccc12 ZINC000736495398 600576851 /nfs/dbraw/zinc/57/68/51/600576851.db2.gz YPLOBUDKYJUVRE-UHFFFAOYSA-N -2 0 386.429 3.521 20 0 GHADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000325489273 600637419 /nfs/dbraw/zinc/63/74/19/600637419.db2.gz KAFUAJTUZOODTM-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)c1C(=O)[O-] ZINC000738970092 600659964 /nfs/dbraw/zinc/65/99/64/600659964.db2.gz RKHNBIXIIWAREW-UHFFFAOYSA-N -2 0 392.477 3.632 20 0 GHADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)c1C(=O)[O-] ZINC000738968811 600757407 /nfs/dbraw/zinc/75/74/07/600757407.db2.gz AZWYCGIMISRTKR-UHFFFAOYSA-N -2 0 392.477 3.776 20 0 GHADRL CCCn1ccc2cc([N-]S(=O)(=O)c3sc(C(=O)[O-])cc3OC)ccc21 ZINC000829585435 601200499 /nfs/dbraw/zinc/20/04/99/601200499.db2.gz WSGFEASKGBGZKZ-UHFFFAOYSA-N -2 0 394.474 3.620 20 0 GHADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830063838 601232745 /nfs/dbraw/zinc/23/27/45/601232745.db2.gz JVMQNAVISISJIA-UHFFFAOYSA-N -2 0 393.339 3.505 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000013358449 601317078 /nfs/dbraw/zinc/31/70/78/601317078.db2.gz FGSGXWIUCVAKLA-UHFFFAOYSA-N -2 0 389.401 3.509 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)ccc1F ZINC000042676939 601320658 /nfs/dbraw/zinc/32/06/58/601320658.db2.gz YRXKUKDIIAONLA-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL CSc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC000832786129 601362959 /nfs/dbraw/zinc/36/29/59/601362959.db2.gz XSAMCZZJVGFQHA-UHFFFAOYSA-N -2 0 386.520 3.662 20 0 GHADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000828870001 601501929 /nfs/dbraw/zinc/50/19/29/601501929.db2.gz JGPGANFTUCPZIP-UHFFFAOYSA-N -2 0 389.886 3.594 20 0 GHADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000746352527 601830737 /nfs/dbraw/zinc/83/07/37/601830737.db2.gz OZJAKYJIQYLRJR-UHFFFAOYSA-N -2 0 387.816 3.767 20 0 GHADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000832999192 602119814 /nfs/dbraw/zinc/11/98/14/602119814.db2.gz QFBQMYHNJITJKJ-UHFFFAOYSA-N -2 0 388.898 3.802 20 0 GHADRL CN(c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C1CCCC1 ZINC000830888079 602321127 /nfs/dbraw/zinc/32/11/27/602321127.db2.gz FIBATTSLGTVTMM-UHFFFAOYSA-N -2 0 380.491 3.626 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])ccc1Br ZINC000740094464 602653135 /nfs/dbraw/zinc/65/31/35/602653135.db2.gz RNRNUVHONVFREB-UHFFFAOYSA-N -2 0 385.239 3.648 20 0 GHADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000739446500 602654306 /nfs/dbraw/zinc/65/43/06/602654306.db2.gz YEOGZTMPZRGUQJ-UHFFFAOYSA-N -2 0 386.832 3.780 20 0 GHADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830138091 603401658 /nfs/dbraw/zinc/40/16/58/603401658.db2.gz KRLACJYAKQORMW-ZDUSSCGKSA-N -2 0 385.445 3.673 20 0 GHADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000833317923 604801935 /nfs/dbraw/zinc/80/19/35/604801935.db2.gz PRRZDJANYAMRIQ-UHFFFAOYSA-N -2 0 394.808 3.549 20 0 GHADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000833741588 605127369 /nfs/dbraw/zinc/12/73/69/605127369.db2.gz SITGTKPRSSIKQM-UHFFFAOYSA-N -2 0 383.344 3.713 20 0 GHADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000564128317 605329211 /nfs/dbraw/zinc/32/92/11/605329211.db2.gz ACCLTZUITMVHKZ-UHFFFAOYSA-N -2 0 377.466 3.504 20 0 GHADRL CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2C1 ZINC000833483718 605343167 /nfs/dbraw/zinc/34/31/67/605343167.db2.gz MZHXWIBKCFKNKW-UHFFFAOYSA-N -2 0 394.518 3.609 20 0 GHADRL Cc1nc2ccc(NS(=O)(=O)c3cc(C)c(C)c(C(=O)[O-])c3)cc2s1 ZINC000471128756 834848404 /nfs/dbraw/zinc/84/84/04/834848404.db2.gz GOHINFCHVZNICG-UHFFFAOYSA-N -2 0 376.459 3.721 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c(Cl)cc1F ZINC000471136567 834895690 /nfs/dbraw/zinc/89/56/90/834895690.db2.gz LRXLKSZTSYYLFF-UHFFFAOYSA-N -2 0 382.800 3.768 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)nn1C1CCCCC1 ZINC000584323813 835881199 /nfs/dbraw/zinc/88/11/99/835881199.db2.gz INPZTAYMCUSXSJ-UHFFFAOYSA-N -2 0 395.456 3.643 20 0 GHADRL C[C@@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)[C@H](C)C1 ZINC000091729376 836609432 /nfs/dbraw/zinc/60/94/32/836609432.db2.gz RUXZTNWHEFFUOE-CHWSQXEVSA-N -2 0 394.518 3.515 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1 ZINC000024429469 839092653 /nfs/dbraw/zinc/09/26/53/839092653.db2.gz NKTAIXIENHBOPW-UHFFFAOYSA-N -2 0 395.742 3.738 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)sc1C(=O)[O-] ZINC000050534467 842698855 /nfs/dbraw/zinc/69/88/55/842698855.db2.gz RZNBEQVVJRZNBE-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000320388009 845469803 /nfs/dbraw/zinc/46/98/03/845469803.db2.gz CLQYVDHZRKKOOI-UHFFFAOYSA-N -2 0 376.217 3.501 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c(C)c1C(=O)[O-] ZINC000512789769 845527348 /nfs/dbraw/zinc/52/73/48/845527348.db2.gz AJTKVYPTAMNUJR-UHFFFAOYSA-N -2 0 375.446 3.591 20 0 GHADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1 ZINC000511119854 847178871 /nfs/dbraw/zinc/17/88/71/847178871.db2.gz BFNRLPIEOQRZBI-UHFFFAOYSA-N -2 0 398.440 3.692 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)nn1C1CCCCC1 ZINC000582698073 848054829 /nfs/dbraw/zinc/05/48/29/848054829.db2.gz XWWWEMBDNUCDGF-UHFFFAOYSA-N -2 0 377.466 3.504 20 0 GHADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000504673816 850229279 /nfs/dbraw/zinc/22/92/79/850229279.db2.gz SAMCGJFWJAPFLP-UHFFFAOYSA-N -2 0 393.770 3.787 20 0 GHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1)C(=O)[O-] ZINC000504688542 850241557 /nfs/dbraw/zinc/24/15/57/850241557.db2.gz ZOEBYQQDUFUAHZ-VIFPVBQESA-N -2 0 389.857 3.845 20 0 GHADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cn2)cc1C ZINC000515630044 851270384 /nfs/dbraw/zinc/27/03/84/851270384.db2.gz QXVUKWJMMUJODN-UHFFFAOYSA-N -2 0 398.440 3.990 20 0 GHADRL Cc1sc([C@H]2CCCN2C(=O)c2cc(F)c([O-])c(Cl)c2)nc1C(=O)[O-] ZINC000910716569 851359930 /nfs/dbraw/zinc/35/99/30/851359930.db2.gz DDUFJUDQBNCKRB-LLVKDONJSA-N -2 0 384.816 3.625 20 0 GHADRL O=C([O-])c1cccc(NC2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)c1 ZINC000911597968 851809296 /nfs/dbraw/zinc/80/92/96/851809296.db2.gz MLYZPMKEJKTEHP-UHFFFAOYSA-N -2 0 392.814 3.600 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1F ZINC000489771298 852598713 /nfs/dbraw/zinc/59/87/13/852598713.db2.gz POIAFOXLLDWXFU-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1)C(=O)[O-] ZINC000507566392 853058501 /nfs/dbraw/zinc/05/85/01/853058501.db2.gz KYZLISUXYQXAHU-JTQLQIEISA-N -2 0 394.449 3.673 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000516954669 853198855 /nfs/dbraw/zinc/19/88/55/853198855.db2.gz JZXOHUCYKOEJSR-ZDUSSCGKSA-N -2 0 391.436 3.739 20 0 GHADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000441320161 854096949 /nfs/dbraw/zinc/09/69/49/854096949.db2.gz BYDQDLCCHQXDBF-UHFFFAOYSA-N -2 0 377.462 3.927 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)ccc1Cl ZINC000164986257 854592527 /nfs/dbraw/zinc/59/25/27/854592527.db2.gz KAKBOLMTYVVLKB-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000485029536 856025559 /nfs/dbraw/zinc/02/55/59/856025559.db2.gz ZTYJSNOXPVHGNO-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000674714087 856726761 /nfs/dbraw/zinc/72/67/61/856726761.db2.gz GEOSOXFGSDNJBE-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1ccccc1C ZINC000507983187 856770485 /nfs/dbraw/zinc/77/04/85/856770485.db2.gz HUEBKUDTGFKBFF-UHFFFAOYSA-N -2 0 399.472 3.551 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(C)C)cc1 ZINC000521113110 857633880 /nfs/dbraw/zinc/63/38/80/857633880.db2.gz BMWFGMHZMVCNSW-UHFFFAOYSA-N -2 0 377.462 3.783 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)cc1F ZINC000676076253 857731213 /nfs/dbraw/zinc/73/12/13/857731213.db2.gz USJSDLAWHLUIII-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL O=C([O-])c1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000574896940 858388402 /nfs/dbraw/zinc/38/84/02/858388402.db2.gz OBCBKWOKFHUZRN-UHFFFAOYSA-N -2 0 382.416 3.570 20 0 GHADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000184655101 858975975 /nfs/dbraw/zinc/97/59/75/858975975.db2.gz VGLOTWVJAAZQPQ-CQSZACIVSA-N -2 0 384.457 3.607 20 0 GHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)c1 ZINC000060738696 859944450 /nfs/dbraw/zinc/94/44/50/859944450.db2.gz KPEHTDIRIFOCKJ-UHFFFAOYSA-N -2 0 383.394 3.859 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c(F)cc1F ZINC000484977339 860550985 /nfs/dbraw/zinc/55/09/85/860550985.db2.gz OTLCLMGCJWWJKF-UHFFFAOYSA-N -2 0 385.388 3.559 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1-n1cccc1C(=O)[O-] ZINC000508460692 863340558 /nfs/dbraw/zinc/34/05/58/863340558.db2.gz ZWYATOCACQWEMJ-UHFFFAOYSA-N -2 0 392.383 3.563 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)sc1C(=O)[O-] ZINC000499270383 881842914 /nfs/dbraw/zinc/84/29/14/881842914.db2.gz XTWWZDYCLNFPCS-UHFFFAOYSA-N -2 0 385.511 3.531 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)c1C ZINC000534298744 866500704 /nfs/dbraw/zinc/50/07/04/866500704.db2.gz KPWKDTOBAHIGRB-UHFFFAOYSA-N -2 0 393.509 3.778 20 0 GHADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)s1 ZINC000479231605 867413912 /nfs/dbraw/zinc/41/39/12/867413912.db2.gz JIQWSQHKUOZPDI-UHFFFAOYSA-N -2 0 388.898 3.865 20 0 GHADRL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000523727675 867839178 /nfs/dbraw/zinc/83/91/78/867839178.db2.gz FTOJMRIZUZBLIP-UHFFFAOYSA-N -2 0 377.462 3.682 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c1 ZINC000156346178 868333406 /nfs/dbraw/zinc/33/34/06/868333406.db2.gz GCMMCLKVAOFGTL-UHFFFAOYSA-N -2 0 391.342 3.738 20 0 GHADRL Cc1cnc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(Cl)c1 ZINC001192402473 870372221 /nfs/dbraw/zinc/37/22/21/870372221.db2.gz RADFRSZDWKFBOD-UHFFFAOYSA-N -2 0 395.651 3.849 20 0 GHADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000447119907 871105540 /nfs/dbraw/zinc/10/55/40/871105540.db2.gz LNMBUUDRRQLQBI-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000540456722 871346877 /nfs/dbraw/zinc/34/68/77/871346877.db2.gz MHPMPTBXZXUROI-UHFFFAOYSA-N -2 0 398.843 3.578 20 0 GHADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)on1 ZINC001193972811 871411225 /nfs/dbraw/zinc/41/12/25/871411225.db2.gz HATWKBADFGDSSN-MRVPVSSYSA-N -2 0 390.820 3.870 20 0 GHADRL CC(C)c1ncsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193981314 871416039 /nfs/dbraw/zinc/41/60/39/871416039.db2.gz PYZBHQOESZRBOQ-UHFFFAOYSA-N -2 0 378.834 3.558 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)c(Cl)cc1F ZINC001194012011 871431943 /nfs/dbraw/zinc/43/19/43/871431943.db2.gz VQIPOSVUDIQTKE-UHFFFAOYSA-N -2 0 383.828 3.857 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc3cc(Cl)ccc32)c(F)cc1F ZINC001195202150 872253653 /nfs/dbraw/zinc/25/36/53/872253653.db2.gz QNJHFRXSSFAHQF-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cccnc3)c2)c(F)cc1F ZINC001195227610 872268786 /nfs/dbraw/zinc/26/87/86/872268786.db2.gz RFQISBAXYFFXMY-UHFFFAOYSA-N -2 0 390.367 3.526 20 0 GHADRL Cc1ccc2c(cccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195245845 872276563 /nfs/dbraw/zinc/27/65/63/872276563.db2.gz UAGUUDBNISHIHM-UHFFFAOYSA-N -2 0 377.368 3.925 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c3ccccc23)c(F)cc1F ZINC001195237678 872305095 /nfs/dbraw/zinc/30/50/95/872305095.db2.gz GMTQIWQFXNTFRB-UHFFFAOYSA-N -2 0 381.331 3.756 20 0 GHADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cc1C ZINC000775679147 872810650 /nfs/dbraw/zinc/81/06/50/872810650.db2.gz OIHKJHBKMPYBSA-SNVBAGLBSA-N -2 0 385.873 3.623 20 0 GHADRL CCOc1c(Cl)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000464530678 874050679 /nfs/dbraw/zinc/05/06/79/874050679.db2.gz SZHDUYDVEPBKCH-UHFFFAOYSA-N -2 0 396.273 3.953 20 0 GHADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1F ZINC000797431622 874226427 /nfs/dbraw/zinc/22/64/27/874226427.db2.gz RWVFBRRKJKWATD-UHFFFAOYSA-N -2 0 382.171 3.771 20 0 GHADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)cc1 ZINC001198233495 874301879 /nfs/dbraw/zinc/30/18/79/874301879.db2.gz MEMWXDQEBLQPGQ-OAHLLOKOSA-N -2 0 382.869 3.750 20 0 GHADRL Cc1c(F)cc(S(=O)(=O)Nc2cccc(C3CCOCC3)c2)cc1C(=O)[O-] ZINC000530145599 877165758 /nfs/dbraw/zinc/16/57/58/877165758.db2.gz RQEXYYOYSIYWBW-UHFFFAOYSA-N -2 0 393.436 3.527 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000530648843 878239696 /nfs/dbraw/zinc/23/96/96/878239696.db2.gz WBACXJYXRZMASQ-UHFFFAOYSA-N -2 0 390.280 3.572 20 0 GHADRL CCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc21 ZINC000460833494 878685187 /nfs/dbraw/zinc/68/51/87/878685187.db2.gz YBHPVYUSJZHGFF-UHFFFAOYSA-N -2 0 378.475 3.920 20 0 GHADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cc1C ZINC000538297658 879204818 /nfs/dbraw/zinc/20/48/18/879204818.db2.gz AAGBLGNMXAJRCV-GFCCVEGCSA-N -2 0 391.493 3.540 20 0 GHADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)cc1C(=O)[O-] ZINC000790397784 879712311 /nfs/dbraw/zinc/71/23/11/879712311.db2.gz OGLKLILKFQOCQS-UHFFFAOYSA-N -2 0 395.820 3.902 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cccc1C(F)(F)F ZINC000760365850 884019674 /nfs/dbraw/zinc/01/96/74/884019674.db2.gz ZKHLQLHBDAZSIT-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cs1 ZINC000475825954 884349626 /nfs/dbraw/zinc/34/96/26/884349626.db2.gz ICPNKRFHLXMLFG-UHFFFAOYSA-N -2 0 388.470 3.546 20 0 GHADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccccc2-c2csc(C)n2)c1 ZINC000475836566 884858156 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GHADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C1CC1 ZINC000567510976 897211581 /nfs/dbraw/zinc/21/15/81/897211581.db2.gz AEUANNJZYYQQTI-UHFFFAOYSA-N -2 0 397.884 3.569 20 0 GHADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000569701327 898896304 /nfs/dbraw/zinc/89/63/04/898896304.db2.gz KTWPIKRKHWBWKW-UHFFFAOYSA-N -2 0 379.482 3.703 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3cc(Cl)ccc3c2)ccc1F ZINC001186144413 914327156 /nfs/dbraw/zinc/32/71/56/914327156.db2.gz RRNIWSJVFGXPCO-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)c1C ZINC000579316089 904510470 /nfs/dbraw/zinc/51/04/70/904510470.db2.gz HQELTBGQQQDXPQ-UHFFFAOYSA-N -2 0 391.493 3.584 20 0 GHADRL Cc1nc(Cl)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1Br ZINC001176239057 908000329 /nfs/dbraw/zinc/00/03/29/908000329.db2.gz MDWRKFCJBCCDFV-UHFFFAOYSA-N -2 0 385.601 3.946 20 0 GHADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000901838552 921621433 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CCc1c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnn1CC(C)C ZINC000677849195 924523569 /nfs/dbraw/zinc/52/35/69/924523569.db2.gz YSVSSSGOUNUVTB-UHFFFAOYSA-N -2 0 399.900 3.562 20 0 GHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC000410058389 925291972 /nfs/dbraw/zinc/29/19/72/925291972.db2.gz KDKVAHXVFNLHGF-ZDUSSCGKSA-N -2 0 389.473 3.779 20 0 GHADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1OCCC ZINC000467754082 929375654 /nfs/dbraw/zinc/37/56/54/929375654.db2.gz MUPVEKAMPJHAIU-UHFFFAOYSA-N -2 0 397.449 3.665 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1Cl ZINC000753780619 929534484 /nfs/dbraw/zinc/53/44/84/929534484.db2.gz TVNWWFKIIHKXCB-UHFFFAOYSA-N -2 0 393.848 3.666 20 0 GHADRL Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000780415165 930510863 /nfs/dbraw/zinc/51/08/63/930510863.db2.gz NYBNDGAWWCXFOF-UHFFFAOYSA-N -2 0 382.800 3.768 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cccc(C(F)F)c2)cccc1C(=O)[O-] ZINC000799125123 932883409 /nfs/dbraw/zinc/88/34/09/932883409.db2.gz GIAKBPDXLFRWHU-UHFFFAOYSA-N -2 0 385.388 3.910 20 0 GHADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000328234632 971457047 /nfs/dbraw/zinc/45/70/47/971457047.db2.gz YGYNEJOSCBVUOS-UHFFFAOYSA-N -2 0 389.401 3.509 20 0 GHADRL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212003 960657883 /nfs/dbraw/zinc/65/78/83/960657883.db2.gz AWDBPOKRPSUUMW-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2sccc2Cl)cccc1C(=O)[O-] ZINC001591752055 975811964 /nfs/dbraw/zinc/81/19/64/975811964.db2.gz OJLWMLOZZBVYNK-UHFFFAOYSA-N -2 0 375.855 3.688 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001591761469 975850257 /nfs/dbraw/zinc/85/02/57/975850257.db2.gz LYZIIYAJQRFQHR-OAQYLSRUSA-N -2 0 385.416 3.543 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NC[C@@H](C(=O)[O-])C3CCCCC3)n2)c1 ZINC001591983161 976602552 /nfs/dbraw/zinc/60/25/52/976602552.db2.gz KXVURLCMODMFGT-GOSISDBHSA-N -2 0 399.491 3.712 20 0 GHADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cnn1CCC(C)C ZINC000755030460 978696751 /nfs/dbraw/zinc/69/67/51/978696751.db2.gz MKHFHONNWBZVPG-UHFFFAOYSA-N -2 0 399.900 3.644 20 0 GHADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001595780838 982554484 /nfs/dbraw/zinc/55/44/84/982554484.db2.gz QJDSTORIJAJFFH-UHFFFAOYSA-N -2 0 397.424 3.512 20 0 GHADRL CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c1 ZINC001596064260 983376112 /nfs/dbraw/zinc/37/61/12/983376112.db2.gz CJGSHEHSTBIUKI-UHFFFAOYSA-N -2 0 383.853 3.557 20 0 GHADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC001597604233 988480085 /nfs/dbraw/zinc/48/00/85/988480085.db2.gz HTMOSGVSNYWZBI-DLBZAZTESA-N -2 0 391.427 3.581 20 0 GHADRL CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1-c1cccs1 ZINC001597644901 988658281 /nfs/dbraw/zinc/65/82/81/988658281.db2.gz KKSHYIKAQIZCQI-UHFFFAOYSA-N -2 0 391.474 3.508 20 0 GHADRL CC(C)CCn1ncc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C(C)C 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Cc1oc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)cc1C(=O)[O-] ZINC000833029788 601234497 /nfs/dbraw/zinc/23/44/97/601234497.db2.gz MHQHYMYVDYOMQD-UHFFFAOYSA-N -2 0 395.380 3.583 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)cc1C(=O)[O-] ZINC000833030174 601235269 /nfs/dbraw/zinc/23/52/69/601235269.db2.gz SOMHQOLHEVEROB-UHFFFAOYSA-N -2 0 381.450 3.711 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000320149859 601357664 /nfs/dbraw/zinc/35/76/64/601357664.db2.gz WQYKVKZHGKMAFY-UHFFFAOYSA-N -2 0 385.772 3.919 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])ccc1C(F)(F)F ZINC000832899596 601485159 /nfs/dbraw/zinc/48/51/59/601485159.db2.gz OLQGYPPQOWFQKZ-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)n2)c1 ZINC000827129490 601755821 /nfs/dbraw/zinc/75/58/21/601755821.db2.gz OJGKSHLXFXLOCL-UHFFFAOYSA-N -2 0 393.443 3.672 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)ccc1F ZINC000833306282 601795547 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GHADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000833741410 605126491 /nfs/dbraw/zinc/12/64/91/605126491.db2.gz LPTZWMKGIFYCTH-UHFFFAOYSA-N -2 0 396.490 3.540 20 0 GHADRL Cc1sc([N-]S(=O)(=O)c2ccccc2Br)c(C(=O)[O-])c1C ZINC000833758367 605302817 /nfs/dbraw/zinc/30/28/17/605302817.db2.gz UVLTWMNNOIXOGC-UHFFFAOYSA-N -2 0 390.280 3.626 20 0 GHADRL CN(C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1)C(=O)[O-] ZINC000828253505 605564498 /nfs/dbraw/zinc/56/44/98/605564498.db2.gz NYGMZEJZRGJTSF-CYBMUJFWSA-N -2 0 388.851 3.785 20 0 GHADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C)c(C)c(C(=O)[O-])c3)n[nH]2)s1 ZINC000471119847 834767580 /nfs/dbraw/zinc/76/75/80/834767580.db2.gz AHZQYGDDLZIFFT-UHFFFAOYSA-N -2 0 391.474 3.562 20 0 GHADRL CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)n[nH]2)cc1 ZINC000612065369 835451700 /nfs/dbraw/zinc/45/17/00/835451700.db2.gz SEYCQJRWPAGEBQ-UHFFFAOYSA-N -2 0 385.445 3.528 20 0 GHADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000511328966 835913088 /nfs/dbraw/zinc/91/30/88/835913088.db2.gz UISHRLQGJGAVKA-UHFFFAOYSA-N -2 0 394.207 3.646 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)n(C2CCCCC2)n1 ZINC000584383316 835952061 /nfs/dbraw/zinc/95/20/61/835952061.db2.gz SAUKIHVWAZJJLA-UHFFFAOYSA-N -2 0 391.493 3.758 20 0 GHADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(Cl)c1Cl ZINC000547883472 837350740 /nfs/dbraw/zinc/35/07/40/837350740.db2.gz JVPBIVAQVVMVTH-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@@H](C)CC)c1C1CC1 ZINC000535688533 844309336 /nfs/dbraw/zinc/30/93/36/844309336.db2.gz UUYPGYXUSZRUOO-LBPRGKRZSA-N -2 0 391.493 3.793 20 0 GHADRL COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000647122539 839405710 /nfs/dbraw/zinc/40/57/10/839405710.db2.gz LASIQFLGZHMCGQ-UHFFFAOYSA-N -2 0 377.462 3.800 20 0 GHADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cnn1-c1ccccc1C ZINC000432053865 840582863 /nfs/dbraw/zinc/58/28/63/840582863.db2.gz RIQQLIJVSRGHPT-UHFFFAOYSA-N -2 0 399.472 3.632 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000512738872 845265079 /nfs/dbraw/zinc/26/50/79/845265079.db2.gz PZEAREZOTAWSCY-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512762119 845365135 /nfs/dbraw/zinc/36/51/35/845365135.db2.gz NTJCMLNJJFHCLJ-UHFFFAOYSA-N -2 0 385.388 3.561 20 0 GHADRL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000731338929 861570413 /nfs/dbraw/zinc/57/04/13/861570413.db2.gz LIFUWCHPLUBCFH-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1 ZINC000512771197 845471599 /nfs/dbraw/zinc/47/15/99/845471599.db2.gz KJMKXGSAUZNCCX-UHFFFAOYSA-N -2 0 393.314 3.532 20 0 GHADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OCCC ZINC000511072413 846303053 /nfs/dbraw/zinc/30/30/53/846303053.db2.gz KLGGMMGQYOUNMI-UHFFFAOYSA-N -2 0 399.490 3.825 20 0 GHADRL O=C([O-])c1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000501792906 847195598 /nfs/dbraw/zinc/19/55/98/847195598.db2.gz IDXUJPWGTHBJRE-UHFFFAOYSA-N -2 0 388.376 3.512 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)c(F)c1 ZINC000504038436 849850330 /nfs/dbraw/zinc/85/03/30/849850330.db2.gz XSWVCNGEEBFOIL-UHFFFAOYSA-N -2 0 395.742 3.580 20 0 GHADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000515568794 851179559 /nfs/dbraw/zinc/17/95/59/851179559.db2.gz RTNNDELBXNAXFD-UHFFFAOYSA-N -2 0 379.381 3.883 20 0 GHADRL CC(C)CCc1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000436890543 852464547 /nfs/dbraw/zinc/46/45/47/852464547.db2.gz URWUHDQRCXQSFQ-UHFFFAOYSA-N -2 0 393.490 3.893 20 0 GHADRL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000436933963 852516365 /nfs/dbraw/zinc/51/63/65/852516365.db2.gz JKBHGOIOUSDPEB-UHFFFAOYSA-N -2 0 382.178 3.982 20 0 GHADRL Cc1ccc(NS(=O)(=O)c2c(C)cc(Br)cc2C)cc1C(=O)[O-] ZINC000438719333 852775279 /nfs/dbraw/zinc/77/52/79/852775279.db2.gz SUONGTHAJHPULD-UHFFFAOYSA-N -2 0 398.278 3.873 20 0 GHADRL CC(C)CCOc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000655587175 854924906 /nfs/dbraw/zinc/92/49/06/854924906.db2.gz OHYLOGOYQMHMDO-UHFFFAOYSA-N -2 0 377.462 3.539 20 0 GHADRL CCc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(C(=O)[O-])c1 ZINC000038426262 856298567 /nfs/dbraw/zinc/29/85/67/856298567.db2.gz OISCFWFDAVOFMI-UHFFFAOYSA-N -2 0 389.351 3.647 20 0 GHADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507893511 856638661 /nfs/dbraw/zinc/63/86/61/856638661.db2.gz YCQYZGFMTXORRS-HNNXBMFYSA-N -2 0 399.472 3.608 20 0 GHADRL CC(C)CCn1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C(C)C ZINC000486081000 857399690 /nfs/dbraw/zinc/39/96/90/857399690.db2.gz SLZBHVDAOYYUNV-UHFFFAOYSA-N -2 0 385.511 3.613 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2OC)cc1C(=O)[O-] ZINC000326972635 858764096 /nfs/dbraw/zinc/76/40/96/858764096.db2.gz QVEHBHINQHKJHI-UHFFFAOYSA-N -2 0 383.853 3.718 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000120325463 881384716 /nfs/dbraw/zinc/38/47/16/881384716.db2.gz GWTFQRPTJMCQRX-UHFFFAOYSA-N -2 0 379.381 3.828 20 0 GHADRL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000060371784 859133031 /nfs/dbraw/zinc/13/30/31/859133031.db2.gz MBTZSNZBFJJOJN-UHFFFAOYSA-N -2 0 393.424 3.525 20 0 GHADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000327143971 859322401 /nfs/dbraw/zinc/32/24/01/859322401.db2.gz WKTDYRRMUJXIIK-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL CC(C)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1 ZINC000327381594 859896856 /nfs/dbraw/zinc/89/68/56/859896856.db2.gz GDPKRSQKGRMWCS-UHFFFAOYSA-N -2 0 383.853 3.874 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(SCCC(=O)[O-])c1 ZINC000484500640 860048966 /nfs/dbraw/zinc/04/89/66/860048966.db2.gz OBXSATYIYISRPQ-UHFFFAOYSA-N -2 0 383.466 3.810 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c(SCCC(=O)[O-])c1 ZINC000484496024 860068680 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GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C1CC1 ZINC000534237389 866345511 /nfs/dbraw/zinc/34/55/11/866345511.db2.gz TUJQDULHEDRHDA-GFCCVEGCSA-N -2 0 377.466 3.539 20 0 GHADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1C(=O)[O-] ZINC000479259854 867448274 /nfs/dbraw/zinc/44/82/74/867448274.db2.gz LXXVLLHWNIGYCR-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1F ZINC000479490163 867875844 /nfs/dbraw/zinc/87/58/44/867875844.db2.gz SAKIFGBPTCZWIF-UHFFFAOYSA-N -2 0 399.399 3.556 20 0 GHADRL CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc21 ZINC000745977996 869924123 /nfs/dbraw/zinc/92/41/23/869924123.db2.gz LHBHSPSCYRXDCV-UHFFFAOYSA-N -2 0 390.436 3.935 20 0 GHADRL Cc1cc(-c2ccccc2)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000746121806 870062804 /nfs/dbraw/zinc/06/28/04/870062804.db2.gz ZSMBONWZIAZAEM-UHFFFAOYSA-N -2 0 386.411 3.972 20 0 GHADRL C[C@@H](O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC001192429762 870358707 /nfs/dbraw/zinc/35/87/07/870358707.db2.gz QDHIZQZWFYMBHC-MRVPVSSYSA-N -2 0 390.244 3.546 20 0 GHADRL C[C@H](O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC001192429763 870359568 /nfs/dbraw/zinc/35/95/68/870359568.db2.gz QDHIZQZWFYMBHC-QMMMGPOBSA-N -2 0 390.244 3.546 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2COC3)c(Cl)cc1Cl ZINC001192433954 870362725 /nfs/dbraw/zinc/36/27/25/870362725.db2.gz XYHUWMFLCKWDSA-UHFFFAOYSA-N -2 0 388.228 3.523 20 0 GHADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc1C ZINC000540498034 871426346 /nfs/dbraw/zinc/42/63/46/871426346.db2.gz MXKVTFCCWDQLNN-SECBINFHSA-N -2 0 385.873 3.623 20 0 GHADRL Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)s1 ZINC000525866557 871561620 /nfs/dbraw/zinc/56/16/20/871561620.db2.gz YGEASMOZRLTHSQ-UHFFFAOYSA-N -2 0 394.499 3.987 20 0 GHADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000526059615 872060414 /nfs/dbraw/zinc/06/04/14/872060414.db2.gz 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COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(C)C ZINC000530146632 877169404 /nfs/dbraw/zinc/16/94/04/877169404.db2.gz NKIWGJRBUFCZRJ-UHFFFAOYSA-N -2 0 397.880 3.900 20 0 GHADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)ccc12 ZINC000461342623 879645509 /nfs/dbraw/zinc/64/55/09/879645509.db2.gz JDJBWTBKPPVABX-UHFFFAOYSA-N -2 0 390.364 3.747 20 0 GHADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000476257374 884299465 /nfs/dbraw/zinc/29/94/65/884299465.db2.gz IYFCKPAAUAHGLC-UHFFFAOYSA-N -2 0 391.779 3.749 20 0 GHADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])cc1 ZINC000460444829 886064620 /nfs/dbraw/zinc/06/46/20/886064620.db2.gz QDTPWUPMVXWZPF-UHFFFAOYSA-N -2 0 393.486 3.565 20 0 GHADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1C1CC1 ZINC000762477737 886268425 /nfs/dbraw/zinc/26/84/25/886268425.db2.gz WNLBPHXAWQTVTO-SECBINFHSA-N -2 0 399.419 3.509 20 0 GHADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000614843336 887944680 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RUZFWVVHXSQECV-UHFFFAOYSA-N -2 0 381.340 3.500 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccc(C(=O)[O-])c3F)cn2)cc1 ZINC001242380807 1035897133 /nfs/dbraw/zinc/89/71/33/1035897133.db2.gz VJKFCWWIIVHPMD-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL Cc1cc(C(=O)[O-])cc(-c2ncccc2S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC001243177930 1036056304 /nfs/dbraw/zinc/05/63/04/1036056304.db2.gz KKNXPZSQADLORB-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL O=c1cc(-c2ccc(Cl)c(Cl)c2)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245927471 1037061171 /nfs/dbraw/zinc/06/11/71/1037061171.db2.gz TWGCUTRYYDGYHW-UHFFFAOYSA-N -2 0 385.228 3.798 20 0 GHADRL C[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1ncc(C(F)(F)F)cc1F ZINC001234334270 1039971127 /nfs/dbraw/zinc/97/11/27/1039971127.db2.gz FWOMXXKOSNWPNL-MRVPVSSYSA-N -2 0 381.218 3.851 20 0 GHADRL CC[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1cc(OC)c(OC)c(OC)c1 ZINC001234334392 1039971630 /nfs/dbraw/zinc/97/16/30/1039971630.db2.gz GUPZWRRJQKKCIK-OAHLLOKOSA-N -2 0 398.348 3.714 20 0 GHADRL C[C@H](Oc1c(=O)c2c(O)cc([O-])cc2oc1-c1c(O)cccc1O)C1=CC=C[CH]1 ZINC001234731034 1040259226 /nfs/dbraw/zinc/25/92/26/1040259226.db2.gz YXSHNPWVXAYRSR-NSHDSACASA-N -2 0 393.371 3.750 20 0 GHADRL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-])C(=O)C2 ZINC001258985831 1044918870 /nfs/dbraw/zinc/91/88/70/1044918870.db2.gz IUOZQRXQFGGRFW-JDNHERCYSA-N -2 0 392.304 3.836 20 0 GHADRL Cc1ccc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)cccc2n1 ZINC001259220997 1045018865 /nfs/dbraw/zinc/01/88/65/1045018865.db2.gz XIQJYJRSAAUVNH-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2)c1 ZINC001260189864 1045405103 /nfs/dbraw/zinc/40/51/03/1045405103.db2.gz LVHZWNQHHPYFRL-UHFFFAOYSA-N -2 0 395.742 3.738 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(SC(F)(F)F)c2)c1 ZINC001260189345 1045405197 /nfs/dbraw/zinc/40/51/97/1045405197.db2.gz VPEPBAIQYOEWPO-UHFFFAOYSA-N -2 0 377.365 3.798 20 0 GHADRL COc1ccc(-c2cccc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)c2)cc1 ZINC001260189570 1045405254 /nfs/dbraw/zinc/40/52/54/1045405254.db2.gz MEMCXYKIVJBMPL-UHFFFAOYSA-N -2 0 383.425 3.861 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn3cc(-c4ccccc4)nc3c2)cc1 ZINC001260223253 1045419263 /nfs/dbraw/zinc/41/92/63/1045419263.db2.gz JQUXXYTVUGFYRF-UHFFFAOYSA-N -2 0 393.424 3.500 20 0 GHADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(-c4ccccn4)s3)cc2)[n-]1 ZINC001260536211 1045532754 /nfs/dbraw/zinc/53/27/54/1045532754.db2.gz AQPCKTJCUSALSB-UHFFFAOYSA-N -2 0 398.469 3.502 20 0 GHADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000393090544 599905973 /nfs/dbraw/zinc/90/59/73/599905973.db2.gz WMXJUYNPABUYDZ-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000738478242 600053134 /nfs/dbraw/zinc/05/31/34/600053134.db2.gz GCDRGCHYTQFYLO-UHFFFAOYSA-N -2 0 387.442 3.585 20 0 GHADRL CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)sc2C1 ZINC000736972006 600055628 /nfs/dbraw/zinc/05/56/28/600055628.db2.gz DWSDEHGWFZHYBI-NSHDSACASA-N -2 0 380.491 3.547 20 0 GHADRL Cc1nc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])sc1-c1ccccc1 ZINC000738746010 600056073 /nfs/dbraw/zinc/05/60/73/600056073.db2.gz ASCGZOFPYICQFG-UHFFFAOYSA-N -2 0 388.470 3.926 20 0 GHADRL CC(C)CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000736431942 600233409 /nfs/dbraw/zinc/23/34/09/600233409.db2.gz KTOJMHSEPUEWOP-UHFFFAOYSA-N -2 0 399.415 3.889 20 0 GHADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000146184252 600236077 /nfs/dbraw/zinc/23/60/77/600236077.db2.gz QRVZPXGMXBRJNE-UHFFFAOYSA-N -2 0 393.424 3.729 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1Cl ZINC000048567816 600482729 /nfs/dbraw/zinc/48/27/29/600482729.db2.gz HXBOFLGCEMKWMU-UHFFFAOYSA-N -2 0 390.642 3.602 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c(C(=O)[O-])[nH]1 ZINC000832899835 600681464 /nfs/dbraw/zinc/68/14/64/600681464.db2.gz RMHQYCLBQFPLBB-UHFFFAOYSA-N -2 0 393.490 3.729 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C(C)(C)C)cc1C(=O)[O-] ZINC000832956044 600815415 /nfs/dbraw/zinc/81/54/15/600815415.db2.gz XAENSKGPHAQLHR-UHFFFAOYSA-N -2 0 393.509 3.743 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)ccc1C(=O)[O-] ZINC000392183892 600974302 /nfs/dbraw/zinc/97/43/02/600974302.db2.gz OQDDSHMNRXHMLT-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c(Cl)c1 ZINC000489772388 601048924 /nfs/dbraw/zinc/04/89/24/601048924.db2.gz QYRVQNLKHIWEPL-UHFFFAOYSA-N -2 0 393.770 3.944 20 0 GHADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1 ZINC000831946824 601203209 /nfs/dbraw/zinc/20/32/09/601203209.db2.gz YZVNMWJMVARDLY-UHFFFAOYSA-N -2 0 396.446 3.520 20 0 GHADRL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832923967 601486254 /nfs/dbraw/zinc/48/62/54/601486254.db2.gz WAPKGUULFNDEQC-UHFFFAOYSA-N -2 0 394.758 3.561 20 0 GHADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)s1 ZINC000828870610 601501684 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377.462 3.806 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)cc(C(=O)[O-])c1C ZINC000685902290 836937434 /nfs/dbraw/zinc/93/74/34/836937434.db2.gz LNSZTVSYPYWYOF-UHFFFAOYSA-N -2 0 388.367 3.525 20 0 GHADRL CCn1cc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1C(=O)[O-] ZINC000504299055 838818886 /nfs/dbraw/zinc/81/88/86/838818886.db2.gz KTKXUMSSBTVJAC-UHFFFAOYSA-N -2 0 389.477 3.618 20 0 GHADRL Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000471568471 839435778 /nfs/dbraw/zinc/43/57/78/839435778.db2.gz AACRTFWQOSOBQO-OAHLLOKOSA-N -2 0 399.472 3.608 20 0 GHADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000328416474 839626376 /nfs/dbraw/zinc/62/63/76/839626376.db2.gz CTRGAAGXVNSUFA-UHFFFAOYSA-N -2 0 395.355 3.779 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)sc1C(=O)[O-] ZINC000467078017 841072305 /nfs/dbraw/zinc/07/23/05/841072305.db2.gz FLENFYDYYVVQRV-UHFFFAOYSA-N -2 0 383.491 3.980 20 0 GHADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000548268886 842337195 /nfs/dbraw/zinc/33/71/95/842337195.db2.gz LSSRTRSGOIPEPF-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL O=C([O-])c1cc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)ccc1Cl ZINC000899640733 861404248 /nfs/dbraw/zinc/40/42/48/861404248.db2.gz OFEGFGKTGZMWSH-UHFFFAOYSA-N -2 0 387.819 3.642 20 0 GHADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)oc1C ZINC000511093880 846685261 /nfs/dbraw/zinc/68/52/61/846685261.db2.gz RKSSBGQWOYCZEY-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)ccc1F ZINC000504704703 850248222 /nfs/dbraw/zinc/24/82/22/850248222.db2.gz ZFZGLOYPVXCQCG-UHFFFAOYSA-N -2 0 397.733 3.997 20 0 GHADRL Cc1cc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000436275343 851419578 /nfs/dbraw/zinc/41/95/78/851419578.db2.gz PBCBOKDMGGSUAP-MRXNPFEDSA-N -2 0 398.422 3.537 20 0 GHADRL CO[C@@H](C)c1nc(=NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])s[n-]1 ZINC000436733453 852275062 /nfs/dbraw/zinc/27/50/62/852275062.db2.gz XGDHALIYFAQIMU-JTQLQIEISA-N -2 0 389.864 3.946 20 0 GHADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cc(Cl)c([O-])cc3F)n2)c1 ZINC000436774104 852306243 /nfs/dbraw/zinc/30/62/43/852306243.db2.gz RPPDRRJDWGKTGC-UHFFFAOYSA-N -2 0 379.750 3.776 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427102434 852722496 /nfs/dbraw/zinc/72/24/96/852722496.db2.gz UNWJSKRXIRSGDU-UHFFFAOYSA-N -2 0 394.499 3.826 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000516954668 853198625 /nfs/dbraw/zinc/19/86/25/853198625.db2.gz JZXOHUCYKOEJSR-CYBMUJFWSA-N -2 0 391.436 3.739 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1-c1ncco1 ZINC000156364013 853713012 /nfs/dbraw/zinc/71/30/12/853713012.db2.gz LPYQYPIOMWRRCY-UHFFFAOYSA-N -2 0 390.392 3.597 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000484991598 855975334 /nfs/dbraw/zinc/97/53/34/855975334.db2.gz BLNAVTIUERUPNV-UHFFFAOYSA-N -2 0 386.429 3.523 20 0 GHADRL 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3.665 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2C2CCC2)c(Cl)cc1F ZINC001193974563 871411409 /nfs/dbraw/zinc/41/14/09/871411409.db2.gz OAVCYZKHQGOPBB-UHFFFAOYSA-N -2 0 384.816 3.641 20 0 GHADRL Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194011260 871431271 /nfs/dbraw/zinc/43/12/71/871431271.db2.gz XAHGOKFXXHMXHP-UHFFFAOYSA-N -2 0 379.743 3.565 20 0 GHADRL O=C(Nc1nccc(Br)c1[O-])c1cccc(C(F)(F)F)c1[O-] ZINC001169382822 871457545 /nfs/dbraw/zinc/45/75/45/871457545.db2.gz KXJZNJBLRWCAIW-UHFFFAOYSA-N -2 0 377.116 3.526 20 0 GHADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc(C(=O)[O-])c1C ZINC000539360637 871825062 /nfs/dbraw/zinc/82/50/62/871825062.db2.gz NJWLHLGLHORNGR-UHFFFAOYSA-N -2 0 390.244 3.815 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc(Cl)cnc32)c(F)cc1F ZINC001195234004 872240458 /nfs/dbraw/zinc/24/04/58/872240458.db2.gz CPHHYTGNQFZODY-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1)C(=O)[O-] ZINC000463775652 872549069 /nfs/dbraw/zinc/54/90/69/872549069.db2.gz CWDZXEXGPBNPOZ-CYBMUJFWSA-N -2 0 383.416 3.727 20 0 GHADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000547574247 872552104 /nfs/dbraw/zinc/55/21/04/872552104.db2.gz BPEDOVCDPJZHHI-UHFFFAOYSA-N -2 0 389.351 3.521 20 0 GHADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1)C(=O)[O-] ZINC000463786263 872604441 /nfs/dbraw/zinc/60/44/41/872604441.db2.gz CRPOXPSPMIPKHV-ZDUSSCGKSA-N -2 0 390.486 3.750 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767733236 872808954 /nfs/dbraw/zinc/80/89/54/872808954.db2.gz POPTWEWSEAGECG-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccn4nccc4c3)cc2)c1 ZINC001196075360 872864063 /nfs/dbraw/zinc/86/40/63/872864063.db2.gz PSSKQDWNZBWRGS-UHFFFAOYSA-N -2 0 393.424 3.500 20 0 GHADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196097290 872878132 /nfs/dbraw/zinc/87/81/32/872878132.db2.gz ZYMHENJYWVIXBM-UHFFFAOYSA-N 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Cc1cc(C)c(S(=O)(=O)[N-]c2scnc2C(C)C)c(C)c1CC(=O)[O-] ZINC000451102627 877399683 /nfs/dbraw/zinc/39/96/83/877399683.db2.gz JZWOMJMUMYSTII-UHFFFAOYSA-N -2 0 382.507 3.620 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1C(F)(F)F ZINC000193475394 878256028 /nfs/dbraw/zinc/25/60/28/878256028.db2.gz VGWDZBUDZRECCL-UHFFFAOYSA-N -2 0 384.335 3.686 20 0 GHADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000790410774 879688508 /nfs/dbraw/zinc/68/85/08/879688508.db2.gz TVBBPSVSGLJGAG-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1)C(=O)[O-] ZINC000184900628 880411964 /nfs/dbraw/zinc/41/19/64/880411964.db2.gz JFCKGOTYTDXMIX-LLVKDONJSA-N -2 0 387.379 3.558 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC(F)F ZINC000321362226 884429750 /nfs/dbraw/zinc/42/97/50/884429750.db2.gz KXQNYEDTPQKIKY-UHFFFAOYSA-N -2 0 379.431 3.870 20 0 GHADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2cccc(Cl)c2s1 ZINC001185870841 914132718 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3.851 20 0 GHADRL COc1cc(Br)cc(C)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176242525 908000774 /nfs/dbraw/zinc/00/07/74/908000774.db2.gz ZBEBMQITIVBDPB-UHFFFAOYSA-N -2 0 380.194 3.906 20 0 GHADRL O=C([O-])COc1ccc(C=CC(=O)c2sccc2[O-])cc1Br ZINC000193146984 908107677 /nfs/dbraw/zinc/10/76/77/908107677.db2.gz AINYBIYOKHVEGJ-HNQUOIGGSA-N -2 0 383.219 3.576 20 0 GHADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)cc1 ZINC000779830424 908977337 /nfs/dbraw/zinc/97/73/37/908977337.db2.gz FJTRVPZTSARCNU-UHFFFAOYSA-N -2 0 393.820 3.839 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnc3cc(F)c(F)cc3c2)c1 ZINC001187553037 915348775 /nfs/dbraw/zinc/34/87/75/915348775.db2.gz GMICAKZTZQNWSO-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2ccncc2)c1 ZINC001187589715 915352595 /nfs/dbraw/zinc/35/25/95/915352595.db2.gz NTGRSEPCUOVWPB-UHFFFAOYSA-N -2 0 388.832 3.901 20 0 GHADRL Cc1cc(OC(F)F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187579318 915374388 /nfs/dbraw/zinc/37/43/88/915374388.db2.gz TTXRXJFACQLJQA-UHFFFAOYSA-N -2 0 391.779 3.749 20 0 GHADRL O=C(Nc1cccc2c(Cl)ccnc12)c1ccccc1OP(=O)([O-])[O-] ZINC001189888711 916991538 /nfs/dbraw/zinc/99/15/38/916991538.db2.gz KPARAFTVJAGMKN-UHFFFAOYSA-N -2 0 378.708 3.612 20 0 GHADRL CCCC[C@@H](CC)COCCCNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899486 916996335 /nfs/dbraw/zinc/99/63/35/916996335.db2.gz CKXTYZMIKYDRIA-OAHLLOKOSA-N -2 0 387.413 3.511 20 0 GHADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000543786678 917080860 /nfs/dbraw/zinc/08/08/60/917080860.db2.gz IGYGYKBOBNCBMA-UHFFFAOYSA-N -2 0 387.379 3.914 20 0 GHADRL O=C([O-])c1ccccc1C1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000368889562 922952960 /nfs/dbraw/zinc/95/29/60/922952960.db2.gz QZMKGRNMDFTDSL-UHFFFAOYSA-N -2 0 382.441 3.835 20 0 GHADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000410026350 925253968 /nfs/dbraw/zinc/25/39/68/925253968.db2.gz DHZUCMVZBRSQOV-UHFFFAOYSA-N -2 0 393.486 3.621 20 0 GHADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000410405269 925611239 /nfs/dbraw/zinc/61/12/39/925611239.db2.gz XOBPXXRNGPJJJC-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL CC(C)Oc1c([N-]S(=O)(=O)c2cc(F)ccc2Cl)cccc1C(=O)[O-] ZINC000410400419 925614492 /nfs/dbraw/zinc/61/44/92/925614492.db2.gz IGJGHTIGTZNGEY-UHFFFAOYSA-N -2 0 387.816 3.765 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc2ccccc21 ZINC000751546987 928241225 /nfs/dbraw/zinc/24/12/25/928241225.db2.gz QZYGXBKTTGWESI-UHFFFAOYSA-N -2 0 393.367 3.940 20 0 GHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1C(=O)[O-] ZINC000544634227 929368349 /nfs/dbraw/zinc/36/83/49/929368349.db2.gz VZSGCIPZKBHRFG-UHFFFAOYSA-N -2 0 390.244 3.760 20 0 GHADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1C(=O)[O-] ZINC000753781470 929533383 /nfs/dbraw/zinc/53/33/83/929533383.db2.gz ZYXSWJNUNGUMSG-UHFFFAOYSA-N -2 0 397.399 3.561 20 0 GHADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c2ncccc12 ZINC000547330369 930923915 /nfs/dbraw/zinc/92/39/15/930923915.db2.gz QBHLSAWNTKJLOP-UHFFFAOYSA-N -2 0 392.458 3.502 20 0 GHADRL CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc2s1 ZINC000321545393 970780436 /nfs/dbraw/zinc/78/04/36/970780436.db2.gz DEPPRDYJMNWVMV-UHFFFAOYSA-N -2 0 386.501 3.579 20 0 GHADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000324895617 971168093 /nfs/dbraw/zinc/16/80/93/971168093.db2.gz UDHWUBYVCAVBIM-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)s1 ZINC000394437945 972713298 /nfs/dbraw/zinc/71/32/98/972713298.db2.gz AWRRPHGXGGISHM-UHFFFAOYSA-N -2 0 396.671 3.663 20 0 GHADRL CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cc(C(=O)[O-])co2)C1 ZINC001596395329 983933459 /nfs/dbraw/zinc/93/34/59/983933459.db2.gz ZMPMDZJVDWFBNP-KPKJPENVSA-N -2 0 378.384 3.600 20 0 GHADRL C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599937677 985416163 /nfs/dbraw/zinc/41/61/63/985416163.db2.gz GGUKXYNSVJEFBI-JQEPEVEFSA-N -2 0 384.215 3.543 20 0 GHADRL CCc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)sc1C(=O)[O-] ZINC001597685579 988837861 /nfs/dbraw/zinc/83/78/61/988837861.db2.gz RXQPCFCGNIXEGK-UHFFFAOYSA-N -2 0 394.396 3.532 20 0 GHADRL CN(C(=O)c1cc(F)cc(F)c1[O-])[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598076956 990380709 /nfs/dbraw/zinc/38/07/09/990380709.db2.gz ADGMJPSPAVKMLW-CYBMUJFWSA-N -2 0 390.169 3.875 20 0 GHADRL COc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)c(C)c1 ZINC001599598648 993782950 /nfs/dbraw/zinc/78/29/50/993782950.db2.gz NDGIKRNZKCXITJ-UHFFFAOYSA-N -2 0 375.855 3.526 20 0 GHADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c1 ZINC001599600821 993813265 /nfs/dbraw/zinc/81/32/65/993813265.db2.gz NPXLEKHJMYNXAS-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL C[C@](NC(=O)c1cc(F)c([O-])c(F)c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593154829 993965813 /nfs/dbraw/zinc/96/58/13/993965813.db2.gz JAIIQJRBVYCLCB-MRXNPFEDSA-N -2 0 390.169 3.707 20 0 GHADRL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])c1 ZINC001599282552 996916736 /nfs/dbraw/zinc/91/67/36/996916736.db2.gz WLCUVSAMATWOQT-UHFFFAOYSA-N -2 0 389.882 3.664 20 0 GHADRL Cc1cc(C)c(S(=O)(=O)Nc2cccc3cnccc32)c(C)c1CC(=O)[O-] ZINC000634798209 1020957061 /nfs/dbraw/zinc/95/70/61/1020957061.db2.gz NKBGPNGXAWTPEM-UHFFFAOYSA-N -2 0 384.457 3.588 20 0 GHADRL [S-]c1cc([S-])cc(NC[C@H]2OCCc3cn(Cc4ccccn4)nc32)c1 ZINC001163544290 1026230461 /nfs/dbraw/zinc/23/04/61/1026230461.db2.gz DHHDSINEHVAENO-GOSISDBHSA-N -2 0 384.530 3.630 20 0 GHADRL COc1ccc(Cl)cc1-c1noc(-c2ccccc2OP(=O)([O-])[O-])n1 ZINC001216745151 1029915913 /nfs/dbraw/zinc/91/59/13/1029915913.db2.gz XUXRPIVSTNVSCG-UHFFFAOYSA-N -2 0 382.696 3.537 20 0 GHADRL COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)nc2)cc1C(=O)[O-] ZINC001241865141 1035729789 /nfs/dbraw/zinc/72/97/89/1035729789.db2.gz JZZQRIRDYDKUHB-UHFFFAOYSA-N -2 0 398.440 3.565 20 0 GHADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncnc3c2ccn3Cc2ccccc2F)c1 ZINC001242159675 1035836054 /nfs/dbraw/zinc/83/60/54/1035836054.db2.gz 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20 0 GHADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000740241077 600396707 /nfs/dbraw/zinc/39/67/07/600396707.db2.gz OEEIVPKNRWAZDB-UHFFFAOYSA-N -2 0 391.392 3.682 20 0 GHADRL Cc1cc2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)nc2c(C)c1 ZINC000738358397 600422640 /nfs/dbraw/zinc/42/26/40/600422640.db2.gz VHGGZRYSTRKFRH-UHFFFAOYSA-N -2 0 398.412 3.690 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)s1 ZINC000740177104 600546314 /nfs/dbraw/zinc/54/63/14/600546314.db2.gz CEAPONZFDYSIRR-UHFFFAOYSA-N -2 0 381.475 3.706 20 0 GHADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2)oc1C ZINC000832991485 600678286 /nfs/dbraw/zinc/67/82/86/600678286.db2.gz URMTWAWYIAYTKQ-UHFFFAOYSA-N -2 0 378.431 3.519 20 0 GHADRL Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000491058898 600808571 /nfs/dbraw/zinc/80/85/71/600808571.db2.gz IRTDTYKGTMHSNF-UHFFFAOYSA-N -2 0 386.429 3.625 20 0 GHADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)n2)c1 ZINC000736520292 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3.564 20 0 GHADRL COc1cc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)ccc1NC(=O)[O-] ZINC000739868467 602270471 /nfs/dbraw/zinc/27/04/71/602270471.db2.gz TXWMIWAWNHZUDD-IBGZPJMESA-N -2 0 378.425 3.785 20 0 GHADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C2CCCCCC2)[nH]n1 ZINC000833318017 602308755 /nfs/dbraw/zinc/30/87/55/602308755.db2.gz SCHDIXFXSNQPKG-UHFFFAOYSA-N -2 0 397.884 4.000 20 0 GHADRL O=C([O-])N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3Cl)ccc21 ZINC000740524472 602646739 /nfs/dbraw/zinc/64/67/39/602646739.db2.gz VEFKDHSIHJBZQO-UHFFFAOYSA-N -2 0 384.816 3.711 20 0 GHADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)cc2OC2CCCC2)cc1C(=O)[O-] ZINC000833029430 604399493 /nfs/dbraw/zinc/39/94/93/604399493.db2.gz IWNZIPMTPZSLCJ-UHFFFAOYSA-N -2 0 383.397 3.548 20 0 GHADRL CC1(C)CC(C)(C)c2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])ccc21 ZINC000833555734 604747411 /nfs/dbraw/zinc/74/74/11/604747411.db2.gz HBQUUMDEXLHYDK-UHFFFAOYSA-N -2 0 380.491 3.601 20 0 GHADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC000444420039 604990874 /nfs/dbraw/zinc/99/08/74/604990874.db2.gz BUXWPPZXCFMGRT-UHFFFAOYSA-N -2 0 391.836 3.538 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2Br)c(C(=O)[O-])c1 ZINC000832950343 605008652 /nfs/dbraw/zinc/00/86/52/605008652.db2.gz KWZVHJACRDMALF-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000834137011 605851400 /nfs/dbraw/zinc/85/14/00/605851400.db2.gz XWYKGQZUEUVMEN-YFKPBYRVSA-N -2 0 377.558 3.582 20 0 GHADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000169875196 834549812 /nfs/dbraw/zinc/54/98/12/834549812.db2.gz WVFIOTOQGJLPSB-UHFFFAOYSA-N -2 0 399.852 3.636 20 0 GHADRL CCCCCc1ccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cc1 ZINC000511270673 834922693 /nfs/dbraw/zinc/92/26/93/834922693.db2.gz JGLMUFKASGEEIA-UHFFFAOYSA-N -2 0 391.489 3.856 20 0 GHADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471962676 844110542 /nfs/dbraw/zinc/11/05/42/844110542.db2.gz AMHXXESZFWYKMM-UHFFFAOYSA-N 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ZINC000504702790 850246949 /nfs/dbraw/zinc/24/69/49/850246949.db2.gz JAGXKDVNHDYPOY-UHFFFAOYSA-N -2 0 390.244 3.648 20 0 GHADRL CC(=O)c1ccc([O-])c(NC(=O)c2cc(Br)cc(Cl)c2[O-])c1 ZINC000436872532 852438423 /nfs/dbraw/zinc/43/84/23/852438423.db2.gz QGKNVZQFQJHWLD-UHFFFAOYSA-N -2 0 384.613 3.969 20 0 GHADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000507027187 852471607 /nfs/dbraw/zinc/47/16/07/852471607.db2.gz SNFBWKNTNGZHKV-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000438766599 852823760 /nfs/dbraw/zinc/82/37/60/852823760.db2.gz XSIYUFNETRCRFQ-UHFFFAOYSA-N -2 0 381.425 3.847 20 0 GHADRL Cc1cccc(C)c1Oc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000509594278 853027655 /nfs/dbraw/zinc/02/76/55/853027655.db2.gz ZORYJOKUQYCQKR-UHFFFAOYSA-N -2 0 386.429 3.923 20 0 GHADRL Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)s1 ZINC000189747108 855189495 /nfs/dbraw/zinc/18/94/95/855189495.db2.gz FHKNIIKZAOXCTP-UHFFFAOYSA-N 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CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncco2)cc1 ZINC000499284141 881904164 /nfs/dbraw/zinc/90/41/64/881904164.db2.gz JUHLVWLOWRFWJT-UHFFFAOYSA-N -2 0 386.429 3.964 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc(Cl)c1Cl ZINC000740811403 866028686 /nfs/dbraw/zinc/02/86/86/866028686.db2.gz FWHKLXORIBPUHG-UHFFFAOYSA-N -2 0 396.635 3.851 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C1CC1 ZINC000534237175 866343771 /nfs/dbraw/zinc/34/37/71/866343771.db2.gz KZPARVHFKBQKSA-LBPRGKRZSA-N -2 0 377.466 3.539 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000742231487 867146242 /nfs/dbraw/zinc/14/62/42/867146242.db2.gz WYNCGSSXFSFQSN-KHPPLWFESA-N -2 0 379.409 3.644 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1C(=O)[O-] ZINC000479188915 867338046 /nfs/dbraw/zinc/33/80/46/867338046.db2.gz UAKDPBFAPSAUBK-UHFFFAOYSA-N -2 0 377.315 3.652 20 0 GHADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479405787 867723762 /nfs/dbraw/zinc/72/37/62/867723762.db2.gz IZJWFGQOMIRLQU-UHFFFAOYSA-N -2 0 390.244 3.809 20 0 GHADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1C1CC1 ZINC000793417695 882196159 /nfs/dbraw/zinc/19/61/59/882196159.db2.gz ZNDDYPCQZSPGGC-NSHDSACASA-N -2 0 395.456 3.678 20 0 GHADRL CCCc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001192409369 870379187 /nfs/dbraw/zinc/37/91/87/870379187.db2.gz IMKAFCTZPAQOGO-UHFFFAOYSA-N -2 0 389.260 3.840 20 0 GHADRL CCCCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)cc1 ZINC001192638848 870584098 /nfs/dbraw/zinc/58/40/98/870584098.db2.gz GNTOVZVLWSGYHQ-UHFFFAOYSA-N -2 0 393.461 3.763 20 0 GHADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000447109626 871002054 /nfs/dbraw/zinc/00/20/54/871002054.db2.gz OFWADSZHCKUTTC-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL CC[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c1 ZINC000629313731 882499007 /nfs/dbraw/zinc/49/90/07/882499007.db2.gz OLXUMEHVTBQTMI-CYBMUJFWSA-N -2 0 377.462 3.637 20 0 GHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000525741862 871330353 /nfs/dbraw/zinc/33/03/53/871330353.db2.gz RIKZLKACKRSSLM-UHFFFAOYSA-N -2 0 390.442 3.743 20 0 GHADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC001194010090 871429819 /nfs/dbraw/zinc/42/98/19/871429819.db2.gz DVIVADQQCYOEQE-UHFFFAOYSA-N -2 0 378.208 3.940 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)c(F)cc1F ZINC001195189619 872215139 /nfs/dbraw/zinc/21/51/39/872215139.db2.gz MGEWGWIWBWXIFD-UHFFFAOYSA-N -2 0 398.774 3.665 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)ccc1[S-] ZINC001195494789 872446293 /nfs/dbraw/zinc/44/62/93/872446293.db2.gz NZNGMSRMWDETFI-UHFFFAOYSA-N -2 0 392.271 3.686 20 0 GHADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463783950 872593277 /nfs/dbraw/zinc/59/32/77/872593277.db2.gz QVKKWRXVZSTKCK-UHFFFAOYSA-N -2 0 391.779 3.516 20 0 GHADRL COc1cccc(NS(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1 ZINC001196066868 872838450 /nfs/dbraw/zinc/83/84/50/872838450.db2.gz SLMHDATXHIEOCD-UHFFFAOYSA-N -2 0 383.425 3.861 20 0 GHADRL Cc1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cnc1F ZINC001196067992 872855296 /nfs/dbraw/zinc/85/52/96/872855296.db2.gz JIUQFVKKINOCBX-UHFFFAOYSA-N -2 0 386.404 3.695 20 0 GHADRL COc1cccc(O)c1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196096232 872876287 /nfs/dbraw/zinc/87/62/87/872876287.db2.gz DDYUXMOKNKUDCY-UHFFFAOYSA-N -2 0 399.424 3.567 20 0 GHADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2SC(F)F)c1 ZINC000324053201 872912254 /nfs/dbraw/zinc/91/22/54/872912254.db2.gz UYPXZGGRDXUITO-UHFFFAOYSA-N -2 0 377.365 3.639 20 0 GHADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000542235213 875195870 /nfs/dbraw/zinc/19/58/70/875195870.db2.gz GRTREXLHGASALH-UHFFFAOYSA-N -2 0 392.433 3.757 20 0 GHADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1sccc1Cl ZINC000451033639 877243210 /nfs/dbraw/zinc/24/32/10/877243210.db2.gz YFWSGUMQAQJRAR-UHFFFAOYSA-N -2 0 386.882 3.501 20 0 GHADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461344701 879608497 /nfs/dbraw/zinc/60/84/97/879608497.db2.gz YHGBWJZDRIBLGX-UHFFFAOYSA-N -2 0 387.307 3.544 20 0 GHADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000161785894 879796420 /nfs/dbraw/zinc/79/64/20/879796420.db2.gz LZJXAQACMHDHMX-UHFFFAOYSA-N -2 0 399.472 3.605 20 0 GHADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(SCCC(=O)[O-])c1 ZINC000460450705 886429194 /nfs/dbraw/zinc/42/91/94/886429194.db2.gz SOEPWHJXSMDSMH-UHFFFAOYSA-N -2 0 387.429 3.641 20 0 GHADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000326576750 888524530 /nfs/dbraw/zinc/52/45/30/888524530.db2.gz ACDDRYHYHJUIGL-UHFFFAOYSA-N -2 0 379.743 3.858 20 0 GHADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c(Cl)ncc(F)c23)cc1C(=O)[O-] ZINC001184698811 913364943 /nfs/dbraw/zinc/36/49/43/913364943.db2.gz HIROGXWCHXSRHA-UHFFFAOYSA-N -2 0 394.811 3.835 20 0 GHADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Nc1ccc(F)cc1 ZINC000537394156 894891364 /nfs/dbraw/zinc/89/13/64/894891364.db2.gz KGEURGCLVAMIMY-UHFFFAOYSA-N -2 0 390.392 3.970 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1Cl ZINC000132787701 897907820 /nfs/dbraw/zinc/90/78/20/897907820.db2.gz KZRBGFLQASBVGU-UHFFFAOYSA-N -2 0 392.820 3.802 20 0 GHADRL Cc1ccc(NS(=O)(=O)c2ccc3nc(Cl)sc3c2)cc1C(=O)[O-] ZINC000772864066 898684066 /nfs/dbraw/zinc/68/40/66/898684066.db2.gz CRHFFJBAYDKQBJ-UHFFFAOYSA-N -2 0 382.850 3.757 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3c(Cl)cccc3c2)ccc1F ZINC001186150709 914331440 /nfs/dbraw/zinc/33/14/40/914331440.db2.gz KYAXPYMMQXVWIL-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL COc1cc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)cnc1C(F)(F)F ZINC000572423717 900179998 /nfs/dbraw/zinc/17/99/98/900179998.db2.gz JBDLNSSRQASTTK-UHFFFAOYSA-N -2 0 381.306 3.590 20 0 GHADRL CCOC(=O)c1noc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1-c1ccccc1 ZINC001176237527 907999263 /nfs/dbraw/zinc/99/92/63/907999263.db2.gz IMDKARLPIDGXHH-UHFFFAOYSA-N -2 0 396.355 3.658 20 0 GHADRL COc1cc(C(=O)OC(C)(C)C)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244725 908003586 /nfs/dbraw/zinc/00/35/86/908003586.db2.gz NQRBECOWSDEAOH-UHFFFAOYSA-N -2 0 387.388 3.791 20 0 GHADRL CC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1Br ZINC001176244208 908003766 /nfs/dbraw/zinc/00/37/66/908003766.db2.gz HZSZAUJQYNZGEI-UHFFFAOYSA-N -2 0 378.178 3.792 20 0 GHADRL Nc1cc(Cl)c(Br)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244756 908003827 /nfs/dbraw/zinc/00/38/27/908003827.db2.gz NXMMOEKNLASWDN-UHFFFAOYSA-N -2 0 385.601 3.825 20 0 GHADRL COc1cc(Br)c(F)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176245439 908004364 /nfs/dbraw/zinc/00/43/64/908004364.db2.gz ZGEIUBMXLKICOO-UHFFFAOYSA-N -2 0 384.157 3.737 20 0 GHADRL O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000647826504 915400862 /nfs/dbraw/zinc/40/08/62/915400862.db2.gz KTPVFRQEKUHEBF-UHFFFAOYSA-N -2 0 395.806 3.579 20 0 GHADRL Cc1nc2ccccc2cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188276785 915870390 /nfs/dbraw/zinc/87/03/90/915870390.db2.gz JCTLKMRWNKYSGL-UHFFFAOYSA-N -2 0 376.821 3.696 20 0 GHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3cccc(F)c3c2)ccc1Cl ZINC001188282184 915873347 /nfs/dbraw/zinc/87/33/47/915873347.db2.gz KHVLTJVYAMBJRK-UHFFFAOYSA-N -2 0 380.784 3.526 20 0 GHADRL O=S(=O)(Cc1cccc(Br)c1)[N-]c1nc2c(cccc2O)s1 ZINC001188646112 916075817 /nfs/dbraw/zinc/07/58/17/916075817.db2.gz WAHCKJMXEWGBDQ-UHFFFAOYSA-N -2 0 399.291 3.706 20 0 GHADRL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000013264792 919321206 /nfs/dbraw/zinc/32/12/06/919321206.db2.gz ZTZHGUOSLTWFNR-UHFFFAOYSA-N -2 0 384.251 3.565 20 0 GHADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1F ZINC000749144248 924047358 /nfs/dbraw/zinc/04/73/58/924047358.db2.gz VSMDMNWYDGZQIU-UHFFFAOYSA-N -2 0 391.424 3.564 20 0 GHADRL CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000410399869 925615500 /nfs/dbraw/zinc/61/55/00/925615500.db2.gz XAFMRPYNODYZEN-UHFFFAOYSA-N -2 0 381.475 3.695 20 0 GHADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000410398333 925617532 /nfs/dbraw/zinc/61/75/32/925617532.db2.gz PJTVNECBFFBRSX-UHFFFAOYSA-N -2 0 399.852 3.635 20 0 GHADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCC(C)C)cc1 ZINC000467072940 928663152 /nfs/dbraw/zinc/66/31/52/928663152.db2.gz DCHWNWHZNCMOJK-UHFFFAOYSA-N -2 0 393.461 3.619 20 0 GHADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000544634574 929368230 /nfs/dbraw/zinc/36/82/30/929368230.db2.gz MGONVTRFVSVYEH-UHFFFAOYSA-N -2 0 376.217 3.506 20 0 GHADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)ccc1F ZINC000780416457 930511485 /nfs/dbraw/zinc/51/14/85/930511485.db2.gz JREXECFMJGTPMB-UHFFFAOYSA-N -2 0 394.207 3.640 20 0 GHADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1)C(=O)[O-] ZINC000547612481 931148112 /nfs/dbraw/zinc/14/81/12/931148112.db2.gz NJTVIAXMJDBMMH-CYBMUJFWSA-N -2 0 392.864 3.666 20 0 GHADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1Cl ZINC000560005887 933014282 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