smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000745978384 735456045 /nfs/dbraw/zinc/45/60/45/735456045.db2.gz VCUBJICGSAPCCS-UHFFFAOYSA-N -2 0 354.359 2.507 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000045774669 728008472 /nfs/dbraw/zinc/00/84/72/728008472.db2.gz HHNWXZOSQFJHSR-UHFFFAOYSA-N -2 0 360.344 2.603 20 0 FFADRL O=C([N-][N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCC1CC1 ZINC000064940258 728154371 /nfs/dbraw/zinc/15/43/71/728154371.db2.gz ANYJWQUJAVNNDN-UHFFFAOYSA-N -2 0 372.661 2.549 20 0 FFADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000065834026 728163168 /nfs/dbraw/zinc/16/31/68/728163168.db2.gz CNVSBLHNIYKPKE-UHFFFAOYSA-N -2 0 357.819 2.791 20 0 FFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n[nH]1 ZINC000322405546 729753497 /nfs/dbraw/zinc/75/34/97/729753497.db2.gz QKZIACDXEALWRX-UHFFFAOYSA-N -2 0 357.819 2.860 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000324916923 729757725 /nfs/dbraw/zinc/75/77/25/729757725.db2.gz YOKAZWPCPMSAKL-UHFFFAOYSA-N -2 0 352.412 2.794 20 0 FFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000325940535 729759756 /nfs/dbraw/zinc/75/97/56/729759756.db2.gz KZLIURVHFNDEKX-UHFFFAOYSA-N -2 0 367.251 2.881 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c(OC)c1 ZINC000326949331 729791681 /nfs/dbraw/zinc/79/16/81/729791681.db2.gz JGXHREMKKHTVCD-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c(O)c1 ZINC000479237719 729908709 /nfs/dbraw/zinc/90/87/09/729908709.db2.gz VHXXUISCUJOECB-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL CCCSc1nc(=NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s[n-]1 ZINC000653540755 731271193 /nfs/dbraw/zinc/27/11/93/731271193.db2.gz SHPRCNCSQUGIEO-LPEHRKFASA-N -2 0 372.516 2.719 20 0 FFADRL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(F)c(F)c([O-])c1F ZINC000671855622 733471999 /nfs/dbraw/zinc/47/19/99/733471999.db2.gz PLTAFUQERQJDIC-UHFFFAOYSA-N -2 0 350.256 2.553 20 0 FFADRL COc1cccc(S(=O)(=O)[N-]c2cc(CCC(=O)[O-])ccc2OC)c1 ZINC000674868834 733740570 /nfs/dbraw/zinc/74/05/70/733740570.db2.gz CVQRDHPXNUHGMR-UHFFFAOYSA-N -2 0 365.407 2.522 20 0 FFADRL Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000681557935 734004083 /nfs/dbraw/zinc/00/40/83/734004083.db2.gz OEYINWUOSWUWQY-UHFFFAOYSA-N -2 0 358.375 2.748 20 0 FFADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000783873743 738844787 /nfs/dbraw/zinc/84/47/87/738844787.db2.gz OSSBGBYVGKXDBH-UHFFFAOYSA-N -2 0 369.345 2.975 20 0 FFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1 ZINC000749142051 735697837 /nfs/dbraw/zinc/69/78/37/735697837.db2.gz OCMPMTXAMLTOIO-UHFFFAOYSA-N -2 0 366.370 2.592 20 0 FFADRL COc1cc(C)c([N-]S(=O)(=O)c2cccnc2Cl)c(C(=O)[O-])c1 ZINC000758943226 736534611 /nfs/dbraw/zinc/53/46/11/736534611.db2.gz CGJMLCZFHKNUGZ-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000763002495 736890908 /nfs/dbraw/zinc/89/09/08/736890908.db2.gz ZXHZQFHPDBCWLK-UHFFFAOYSA-N -2 0 363.420 2.740 20 0 FFADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000910182480 737037694 /nfs/dbraw/zinc/03/76/94/737037694.db2.gz IRHNUOZYAAMAPS-LDYMZIIASA-N -2 0 367.810 2.945 20 0 FFADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCCCc2cccs2)C1 ZINC000910187263 737038095 /nfs/dbraw/zinc/03/80/95/737038095.db2.gz BUQCWHWMPZGIPF-JSGCOSHPSA-N -2 0 353.440 2.627 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cnn1CC(C)C ZINC000766330563 737220164 /nfs/dbraw/zinc/22/01/64/737220164.db2.gz BIUNNEYIIRYHON-UHFFFAOYSA-N -2 0 369.418 2.794 20 0 FFADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1C ZINC000775679206 738111967 /nfs/dbraw/zinc/11/19/67/738111967.db2.gz QRUTZRCTNNMFBU-QMMMGPOBSA-N -2 0 373.381 2.940 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)c1F ZINC000795381245 740013749 /nfs/dbraw/zinc/01/37/49/740013749.db2.gz PDVIBFGYNJZGKX-SECBINFHSA-N -2 0 371.361 2.826 20 0 FFADRL COC(=O)Nc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C ZINC000797816680 740275097 /nfs/dbraw/zinc/27/50/97/740275097.db2.gz GCXSLDOARNVLAY-UHFFFAOYSA-N -2 0 370.408 2.734 20 0 FFADRL CCOC(=O)c1cc(CC)sc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000323898776 971054578 /nfs/dbraw/zinc/05/45/78/971054578.db2.gz PFJADBFPDJULIW-UHFFFAOYSA-N -2 0 373.408 2.579 20 0 FFADRL CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])cnc21 ZINC000323901169 971055109 /nfs/dbraw/zinc/05/51/09/971055109.db2.gz PRLNBOQKUNHOOG-UHFFFAOYSA-N -2 0 366.424 2.573 20 0 FFADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000326453345 971294865 /nfs/dbraw/zinc/29/48/65/971294865.db2.gz UFCHJJQLXYBCSH-UHFFFAOYSA-N -2 0 367.452 2.632 20 0 FFADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000392549061 972497195 /nfs/dbraw/zinc/49/71/95/972497195.db2.gz ICIOJVMPWNVDPG-UHFFFAOYSA-N -2 0 366.826 2.960 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C)cc1C(=O)[O-] ZINC000504241570 962238186 /nfs/dbraw/zinc/23/81/86/962238186.db2.gz OVFXRRLBQSUCRB-UHFFFAOYSA-N -2 0 374.422 2.501 20 0 FFADRL C[NH+]1CCN(Cc2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2)CC1 ZINC001176241851 1013657180 /nfs/dbraw/zinc/65/71/80/1013657180.db2.gz AZFKDNRGKYBXQH-UHFFFAOYSA-N -2 0 369.421 2.574 20 0 FFADRL COc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(Br)n1 ZINC001176238906 1013657322 /nfs/dbraw/zinc/65/73/22/1013657322.db2.gz VEPSRQJNWDGENL-UHFFFAOYSA-N -2 0 367.155 2.993 20 0 FFADRL O=C([O-])c1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc(C(=O)[O-])c1 ZINC001176242220 1013657463 /nfs/dbraw/zinc/65/74/63/1013657463.db2.gz QTZCACFRGVAYSO-UHFFFAOYSA-N -3 0 371.754 2.727 20 0 FFADRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663030095 974863952 /nfs/dbraw/zinc/86/39/52/974863952.db2.gz UKZCVSNMJRYIAR-CYBMUJFWSA-N -2 0 361.373 2.577 20 0 FFADRL CC(C)Oc1c(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cccc1C(=O)[O-] ZINC001591744026 975765631 /nfs/dbraw/zinc/76/56/31/975765631.db2.gz HQLQPCNGQUGCKG-DGCLKSJQSA-N -2 0 364.398 2.747 20 0 FFADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001591767864 975884453 /nfs/dbraw/zinc/88/44/53/975884453.db2.gz STERCWCZPXWYNY-LBPRGKRZSA-N -2 0 352.387 2.650 20 0 FFADRL CC(C)c1cccc(NC(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001591991994 976621153 /nfs/dbraw/zinc/62/11/53/976621153.db2.gz OJEKEELLZVQFCF-BTUGKURYSA-N -2 0 360.410 2.839 20 0 FFADRL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595125644 979509214 /nfs/dbraw/zinc/50/92/14/979509214.db2.gz DPLMOEGDWZEILG-LBPRGKRZSA-N -2 0 357.428 2.698 20 0 FFADRL C[C@H](Cc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC001592871594 979723891 /nfs/dbraw/zinc/72/38/91/979723891.db2.gz FSGYZVBYIDUXKN-GFCCVEGCSA-N -2 0 356.378 2.970 20 0 FFADRL CCCOc1ccc(S(=O)(=O)[N-]c2nc(CC)c(C(=O)[O-])s2)cc1 ZINC001595965305 983166644 /nfs/dbraw/zinc/16/66/44/983166644.db2.gz LCINQYZJUIUPTN-UHFFFAOYSA-N -2 0 370.452 2.993 20 0 FFADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1OC ZINC001595966125 983171489 /nfs/dbraw/zinc/17/14/89/983171489.db2.gz DNMLVKONHWXFLM-UHFFFAOYSA-N -2 0 369.395 2.884 20 0 FFADRL CCCn1c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)nc2ccccc21 ZINC001596110906 983437065 /nfs/dbraw/zinc/43/70/65/983437065.db2.gz AGJRJBCOQHKBLH-UHFFFAOYSA-N -2 0 363.395 2.847 20 0 FFADRL O=C(CCC1CCCCC1)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000010159250 984404162 /nfs/dbraw/zinc/40/41/62/984404162.db2.gz LTCFHAHDZPMPQQ-UHFFFAOYSA-N -2 0 356.426 2.699 20 0 FFADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1ccsc1 ZINC001599948534 985570049 /nfs/dbraw/zinc/57/00/49/985570049.db2.gz PLZGIQOLCLKERQ-JTQLQIEISA-N -2 0 355.437 2.577 20 0 FFADRL Cc1c2ccc(F)cc2sc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001599982133 986178222 /nfs/dbraw/zinc/17/82/22/986178222.db2.gz KWZFTFGYRYJIFW-CBAPKCEASA-N -2 0 373.427 2.518 20 0 FFADRL CCSCc1ccnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC001597267570 987304417 /nfs/dbraw/zinc/30/44/17/987304417.db2.gz MSZZLLCZUKKOQR-UHFFFAOYSA-N -2 0 370.427 2.973 20 0 FFADRL CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1CC ZINC001597501184 988065626 /nfs/dbraw/zinc/06/56/26/988065626.db2.gz XWVSOSKDJQWUDA-UHFFFAOYSA-N -2 0 367.448 2.690 20 0 FFADRL CSc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccccc2[O-])cc1 ZINC001599812563 988363623 /nfs/dbraw/zinc/36/36/23/988363623.db2.gz ZMLRVVZOAJCYII-ZDUSSCGKSA-N -2 0 367.448 2.608 20 0 FFADRL CSc1ccncc1[N-]S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001599825864 988596576 /nfs/dbraw/zinc/59/65/76/988596576.db2.gz AKOVOXHAOVODHJ-UHFFFAOYSA-N -2 0 366.464 2.967 20 0 FFADRL COc1ccccc1S(=O)(=O)[N-]c1nc(C(C)C)c(C(=O)[O-])s1 ZINC001599718274 991494303 /nfs/dbraw/zinc/49/43/03/991494303.db2.gz PPPZBHNSOKGUQQ-UHFFFAOYSA-N -2 0 356.425 2.774 20 0 FFADRL COc1ccsc1S(=O)(=O)[N-]c1cccnc1SCCC(=O)[O-] ZINC001599722514 991563588 /nfs/dbraw/zinc/56/35/88/991563588.db2.gz MQZDQWWGDWATQA-UHFFFAOYSA-N -2 0 374.465 2.519 20 0 FFADRL CC(C)C[C@@H](CNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001591150979 991896417 /nfs/dbraw/zinc/89/64/17/991896417.db2.gz ZBWAOXILKGBSLN-JTQLQIEISA-N -2 0 372.805 2.672 20 0 FFADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001591409415 992485245 /nfs/dbraw/zinc/48/52/45/992485245.db2.gz GBWITJHSTCGAGU-UHFFFAOYSA-N -2 0 350.396 2.615 20 0 FFADRL CC(C)Cn1[n-]c(CC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1=O ZINC001591505615 992650255 /nfs/dbraw/zinc/65/02/55/992650255.db2.gz JEEYIGDOAQJRKO-UHFFFAOYSA-N -2 0 369.780 2.504 20 0 FFADRL C[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593077709 993637096 /nfs/dbraw/zinc/63/70/96/993637096.db2.gz FYBVBCTUWBNTFJ-VCOSZWKGSA-N -2 0 374.437 2.515 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2c(C)ccc(C(=O)[O-])c2O)cc1Cl ZINC001599616751 994024508 /nfs/dbraw/zinc/02/45/08/994024508.db2.gz OHGIRIBGYQYJCZ-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL COC(=O)[C@H](C)c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC001598691051 995066425 /nfs/dbraw/zinc/06/64/25/995066425.db2.gz DXMKDJIIUVDUHY-SECBINFHSA-N -2 0 369.420 2.524 20 0 FFADRL C[C@@H](Sc1ccccc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(=O)[O-] ZINC001593668730 996066647 /nfs/dbraw/zinc/06/66/47/996066647.db2.gz WAMPRPJSLHVBOY-NEPJUHHUSA-N -2 0 351.424 2.579 20 0 FFADRL CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC001593792507 996509069 /nfs/dbraw/zinc/50/90/69/996509069.db2.gz HJBUGLCRDIBUNR-UHFFFAOYSA-N -2 0 366.439 2.972 20 0 FFADRL CC1(C)C[C@@]1(C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001593864715 996668496 /nfs/dbraw/zinc/66/84/96/996668496.db2.gz DNSNUXJVAFRTTC-IBGZPJMESA-N -2 0 373.430 2.558 20 0 FFADRL COCc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C)cc(C(=O)[O-])c1 ZINC001599289145 997033298 /nfs/dbraw/zinc/03/32/98/997033298.db2.gz GDLYYYANSIXIHF-UHFFFAOYSA-N -2 0 370.814 2.689 20 0 FFADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC001599377730 998514702 /nfs/dbraw/zinc/51/47/02/998514702.db2.gz MAVRHDUSAGMCDR-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL CO[C@@H](CS(=O)(=O)[N-]c1scc(C)c1C(=O)[O-])c1ccccc1 ZINC001599061095 999265844 /nfs/dbraw/zinc/26/58/44/999265844.db2.gz ZOYJATJMSOLMKE-LBPRGKRZSA-N -2 0 355.437 2.884 20 0 FFADRL Cc1cc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cc2scnc21 ZINC001148926836 1001241491 /nfs/dbraw/zinc/24/14/91/1001241491.db2.gz XANRTPXZDSLPLE-UHFFFAOYSA-N -2 0 364.404 2.809 20 0 FFADRL C[C@@H](NC(=O)NC1([P@@](=O)([O-])O)Cc2ccccc2C1)c1ccccc1 ZINC001185032867 1002790483 /nfs/dbraw/zinc/79/04/83/1002790483.db2.gz FULGKKRQSOOVJN-CYBMUJFWSA-N -2 0 360.350 2.720 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)n2)cc1C(=O)[O-] ZINC001185275653 1002895150 /nfs/dbraw/zinc/89/51/50/1002895150.db2.gz NHCYXSLRVKKOQI-UHFFFAOYSA-N -2 0 362.407 2.857 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cccc3ncsc32)cc1C(=O)[O-] ZINC001185307489 1002907339 /nfs/dbraw/zinc/90/73/39/1002907339.db2.gz RZYQAVAEFFKJFF-UHFFFAOYSA-N -2 0 364.404 2.804 20 0 FFADRL Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1O ZINC001192141234 1004078525 /nfs/dbraw/zinc/07/85/25/1004078525.db2.gz QGTNLWFYUQTKRE-UHFFFAOYSA-N -2 0 353.371 2.658 20 0 FFADRL Cc1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192401389 1004161445 /nfs/dbraw/zinc/16/14/45/1004161445.db2.gz OODHLKVJCBHNFZ-UHFFFAOYSA-N -2 0 362.194 2.591 20 0 FFADRL CCOc1ccc(S(=O)(=O)Nc2cccc([C@@H](C)O)c2)cc1C(=O)[O-] ZINC001192601229 1004212186 /nfs/dbraw/zinc/21/21/86/1004212186.db2.gz BJBIRICEFXNPHC-LLVKDONJSA-N -2 0 365.407 2.638 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cn(CC3CC3)cn2)c(Cl)cc1F ZINC001193975023 1004623583 /nfs/dbraw/zinc/62/35/83/1004623583.db2.gz RMQGHNZXKUEOIU-UHFFFAOYSA-N -2 0 373.793 2.585 20 0 FFADRL CC1(C)COC(c2ccccc2[N-]S(=O)(=O)c2ccccc2C(=O)[O-])=N1 ZINC001198790316 1004729476 /nfs/dbraw/zinc/72/94/76/1004729476.db2.gz RJIDMDZRVFEQMR-UHFFFAOYSA-N -2 0 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ZINC000193499837 729481301 /nfs/dbraw/zinc/48/13/01/729481301.db2.gz NGCHUKRRWSCSSX-UHFFFAOYSA-N -2 0 358.778 2.990 20 0 FFADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000325869094 729759556 /nfs/dbraw/zinc/75/95/56/729759556.db2.gz YGIDGZWTKZMREC-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc1C(=O)[O-] ZINC000504251128 729924254 /nfs/dbraw/zinc/92/42/54/729924254.db2.gz BCBGZMXPYCNOBB-NSHDSACASA-N -2 0 352.412 2.714 20 0 FFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c1Cl ZINC000863960749 730818252 /nfs/dbraw/zinc/81/82/52/730818252.db2.gz BIWMKMIVSNPRAZ-UHFFFAOYSA-N -2 0 368.238 2.752 20 0 FFADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1csc2ccccc21)C1CCCC1 ZINC000863962137 730818270 /nfs/dbraw/zinc/81/82/70/730818270.db2.gz VDYGKOZDHYHJSG-AWEZNQCLSA-N -2 0 367.448 2.597 20 0 FFADRL CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863962059 730818325 /nfs/dbraw/zinc/81/83/25/730818325.db2.gz FMESQADZZZBXEA-KGLIPLIRSA-N -2 0 355.456 2.577 20 0 FFADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000863963196 730818331 /nfs/dbraw/zinc/81/83/31/730818331.db2.gz NWHRUDRCOZDNFY-UHFFFAOYSA-N -2 0 367.398 2.675 20 0 FFADRL CC(C)[C@H](CNC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C(=O)[O-] ZINC000653542218 731271517 /nfs/dbraw/zinc/27/15/17/731271517.db2.gz KESAXTAZTVVNLG-NSHDSACASA-N -2 0 368.846 2.759 20 0 FFADRL COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2O)cc1F ZINC000782921822 738765034 /nfs/dbraw/zinc/76/50/34/738765034.db2.gz IFTAOPYAWBFIGO-UHFFFAOYSA-N -2 0 370.358 2.519 20 0 FFADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cccnc3Cl)ccc12 ZINC000732047273 734714200 /nfs/dbraw/zinc/71/42/00/734714200.db2.gz KMOAUBIRGLJIHH-UHFFFAOYSA-N -2 0 351.771 2.715 20 0 FFADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000783874413 738845343 /nfs/dbraw/zinc/84/53/43/738845343.db2.gz VMMYOBCZBJFIHU-UHFFFAOYSA-N -2 0 367.354 2.541 20 0 FFADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1ncccc1O ZINC000732914390 734775792 /nfs/dbraw/zinc/77/57/92/734775792.db2.gz PRTACZPJMSDXEQ-UHFFFAOYSA-N -2 0 357.391 2.564 20 0 FFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000753777851 736093665 /nfs/dbraw/zinc/09/36/65/736093665.db2.gz AINONPULAUBXBK-UHFFFAOYSA-N -2 0 353.371 2.901 20 0 FFADRL COc1cc(C)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C(=O)[O-])c1 ZINC000758944204 736534780 /nfs/dbraw/zinc/53/47/80/736534780.db2.gz FNVRYDRPZWOJOX-UHFFFAOYSA-N -2 0 370.814 2.859 20 0 FFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c(C(=O)[O-])c1 ZINC000761948575 736775453 /nfs/dbraw/zinc/77/54/53/736775453.db2.gz BIXRNWRXWMGTAY-UHFFFAOYSA-N -2 0 358.778 2.990 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc(C(=O)[O-])c1F ZINC000763286116 736922810 /nfs/dbraw/zinc/92/28/10/736922810.db2.gz CTULWEJUKGIIQE-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000910184165 737037517 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FFADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000326148129 971270324 /nfs/dbraw/zinc/27/03/24/971270324.db2.gz VXTXDFLYKAZPIA-UHFFFAOYSA-N -2 0 363.420 2.946 20 0 FFADRL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1 ZINC000326145036 971270572 /nfs/dbraw/zinc/27/05/72/971270572.db2.gz UVUGAAGNMMGSFF-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000327014903 971356647 /nfs/dbraw/zinc/35/66/47/971356647.db2.gz RJLKEPOTDSHCFF-UHFFFAOYSA-N -2 0 368.367 2.574 20 0 FFADRL CC(C)[C@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC001602982762 972001905 /nfs/dbraw/zinc/00/19/05/972001905.db2.gz BQNMADRFDGKDEG-VIFPVBQESA-N -2 0 364.623 2.895 20 0 FFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000013267485 957003763 /nfs/dbraw/zinc/00/37/63/957003763.db2.gz QJJXCUNABUEMMA-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)s1 ZINC000077471899 957752269 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FFADRL COC(=O)[C@@H]1Cc2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C1 ZINC001176243995 1013658243 /nfs/dbraw/zinc/65/82/43/1013658243.db2.gz ODRDQENEELINAN-CYBMUJFWSA-N -2 0 355.346 2.714 20 0 FFADRL O=C([O-])c1cc(Nc2ccc3c(c2)CN(C2CC2)C3=O)cc(C(=O)[O-])c1 ZINC001176245355 1013659660 /nfs/dbraw/zinc/65/96/60/1013659660.db2.gz XSCKKIOKLJHZIU-UHFFFAOYSA-N -2 0 352.346 2.945 20 0 FFADRL O=C([O-])c1ccccc1C1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659422640 969910140 /nfs/dbraw/zinc/91/01/40/969910140.db2.gz FWGGYTSACYLGHK-UHFFFAOYSA-N -2 0 360.410 2.529 20 0 FFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396506459 972908456 /nfs/dbraw/zinc/90/84/56/972908456.db2.gz QCNPVEWQEXMAHA-SECBINFHSA-N -2 0 369.420 2.524 20 0 FFADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001591861886 976158448 /nfs/dbraw/zinc/15/84/48/976158448.db2.gz DBKBAVXXLVLESS-LBPRGKRZSA-N -2 0 371.315 2.508 20 0 FFADRL C[C@@](CC(=O)[O-])(C(=O)NCc1ccccc1CC(=O)[O-])C1CCCCC1 ZINC001592278258 977561824 /nfs/dbraw/zinc/56/18/24/977561824.db2.gz RRXMSBWWQPEUBE-FQEVSTJZSA-N -2 0 361.438 2.991 20 0 FFADRL CC(F)(F)c1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC001592944010 980018444 /nfs/dbraw/zinc/01/84/44/980018444.db2.gz FRXDCWHNHMISJH-JOYOIKCWSA-N -2 0 356.325 2.580 20 0 FFADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001595535371 981377520 /nfs/dbraw/zinc/37/75/20/981377520.db2.gz AZMBCBGTERDADJ-CYBMUJFWSA-N -2 0 361.847 2.535 20 0 FFADRL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595632227 981851940 /nfs/dbraw/zinc/85/19/40/981851940.db2.gz TZTXZFQWJZGWPF-ZDUSSCGKSA-N -2 0 355.456 2.937 20 0 FFADRL CCCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)n1 ZINC001596074773 983390644 /nfs/dbraw/zinc/39/06/44/983390644.db2.gz MOZPRYAZXDGTKT-UHFFFAOYSA-N -2 0 350.805 2.841 20 0 FFADRL CCCCCC[C@@H](C)NC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000045549484 984457041 /nfs/dbraw/zinc/45/70/41/984457041.db2.gz NXQCQODICQWIBT-CQSZACIVSA-N -2 0 373.457 2.881 20 0 FFADRL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1 ZINC001594713121 987179522 /nfs/dbraw/zinc/17/95/22/987179522.db2.gz CLGKCPFHMFKRBJ-UHFFFAOYSA-N -2 0 354.409 2.596 20 0 FFADRL CCc1[nH]c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)c1C(=O)[O-] ZINC001597366518 987537945 /nfs/dbraw/zinc/53/79/45/987537945.db2.gz FWHUBXOGSPDJPS-TZMCWYRMSA-N -2 0 356.378 2.627 20 0 FFADRL CSc1ccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001599817838 988458864 /nfs/dbraw/zinc/45/88/64/988458864.db2.gz WTBHRLZNTGJDHP-JOYOIKCWSA-N -2 0 352.412 2.681 20 0 FFADRL CCc1ccccc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC001597621417 988548383 /nfs/dbraw/zinc/54/83/83/988548383.db2.gz MEMUTOGKLCPDMN-UHFFFAOYSA-N -2 0 354.453 2.914 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2c(C)cc(C(=O)[O-])cc2Cl)nc1C ZINC001597898164 989766113 /nfs/dbraw/zinc/76/61/13/989766113.db2.gz JLYQUQVNOBZGTH-UHFFFAOYSA-N -2 0 357.819 2.672 20 0 FFADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)cc1 ZINC001590501068 990116687 /nfs/dbraw/zinc/11/66/87/990116687.db2.gz REPVLNRGZQAKHT-UHFFFAOYSA-N -2 0 365.455 2.801 20 0 FFADRL CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC001590621605 990303275 /nfs/dbraw/zinc/30/32/75/990303275.db2.gz ICLPETWYSFYBCX-UHFFFAOYSA-N -2 0 359.831 2.669 20 0 FFADRL CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001591488613 992617053 /nfs/dbraw/zinc/61/70/53/992617053.db2.gz HHWFAVQHOWLTRI-SHTZXODSSA-N -2 0 367.467 2.581 20 0 FFADRL C[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593079869 993651842 /nfs/dbraw/zinc/65/18/42/993651842.db2.gz YJYJKEZHOPJMCO-NZVBXONLSA-N -2 0 360.410 2.545 20 0 FFADRL COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC001599653191 994537369 /nfs/dbraw/zinc/53/73/69/994537369.db2.gz HPLKTKIFGXYEQO-GOSISDBHSA-N -2 0 365.332 2.799 20 0 FFADRL COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001599661516 994663385 /nfs/dbraw/zinc/66/33/85/994663385.db2.gz MPULATHNUWKKOM-UHFFFAOYSA-N -2 0 361.419 2.921 20 0 FFADRL C[C@]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)(c1ccccc1)C(F)(F)F ZINC001593334603 994914502 /nfs/dbraw/zinc/91/45/02/994914502.db2.gz XHGJRBOEBGDANV-ZDUSSCGKSA-N -2 0 363.313 2.734 20 0 FFADRL CC1(C)CCc2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)nc21 ZINC001593924485 996849385 /nfs/dbraw/zinc/84/93/85/996849385.db2.gz LNJPHUNTKBIDFE-UHFFFAOYSA-N -2 0 358.466 2.927 20 0 FFADRL COCc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c1 ZINC001599296871 997159796 /nfs/dbraw/zinc/15/97/96/997159796.db2.gz AGSRUBDNMJWFGG-UHFFFAOYSA-N -2 0 355.799 2.985 20 0 FFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)ccc1C(=O)[O-] ZINC001599459939 998254734 /nfs/dbraw/zinc/25/47/34/998254734.db2.gz OXEQXUOTXLIMDU-UHFFFAOYSA-N -2 0 362.407 2.857 20 0 FFADRL COc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)cnc1Cl ZINC001599460186 998258976 /nfs/dbraw/zinc/25/89/76/998258976.db2.gz UOHHJJZQFLSZED-SECBINFHSA-N 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O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)cn2)ccc1F ZINC001186139327 1003195413 /nfs/dbraw/zinc/19/54/13/1003195413.db2.gz BXFOHHDRNKIUQO-UHFFFAOYSA-N -2 0 373.365 2.782 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)no2)ccc1F ZINC001186143095 1003196018 /nfs/dbraw/zinc/19/60/18/1003196018.db2.gz IIMHQJGIIAOEMH-UHFFFAOYSA-N -2 0 362.338 2.980 20 0 FFADRL CC(C)(C)c1nsc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC001192106808 1004055216 /nfs/dbraw/zinc/05/52/16/1004055216.db2.gz QWINUYFIXDFRQP-UHFFFAOYSA-N -2 0 369.468 2.654 20 0 FFADRL Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192109641 1004055589 /nfs/dbraw/zinc/05/55/89/1004055589.db2.gz IKXCXLVDNFMWGM-UHFFFAOYSA-N -2 0 354.815 2.861 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)cc1 ZINC001192114388 1004058115 /nfs/dbraw/zinc/05/81/15/1004058115.db2.gz XFVVCPZRKXLCIZ-UHFFFAOYSA-N -2 0 363.439 2.501 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2O)cc1C(=O)[O-] ZINC001192649231 1004218919 /nfs/dbraw/zinc/21/89/19/1004218919.db2.gz UEIZNLDCYLQEGR-UHFFFAOYSA-N -2 0 365.407 2.852 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2O)cc1C(=O)[O-] ZINC001192649001 1004218990 /nfs/dbraw/zinc/21/89/90/1004218990.db2.gz ONTYIJULLPJOTG-UHFFFAOYSA-N -2 0 373.333 2.568 20 0 FFADRL O=S(=O)(Cc1ccccn1)[N-]c1cc(Br)cc(F)c1[O-] ZINC001197828925 1004391330 /nfs/dbraw/zinc/39/13/30/1004391330.db2.gz JDSRWTRWWSTYRF-UHFFFAOYSA-N -2 0 361.192 2.631 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2noc3cnccc23)c(Cl)cc1F ZINC001193971581 1004621199 /nfs/dbraw/zinc/62/11/99/1004621199.db2.gz GXDHTQNBBOFGHM-UHFFFAOYSA-N -2 0 371.733 2.514 20 0 FFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC001193971350 1004621624 /nfs/dbraw/zinc/62/16/24/1004621624.db2.gz BXQVOGSQTWUKFD-UHFFFAOYSA-N -2 0 374.777 2.772 20 0 FFADRL CC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195201205 1004915676 /nfs/dbraw/zinc/91/56/76/1004915676.db2.gz CJFOFKQZHPWNDD-UHFFFAOYSA-N -2 0 361.347 2.728 20 0 FFADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1O ZINC001187582488 1006163999 /nfs/dbraw/zinc/16/39/99/1006163999.db2.gz SOVBJGOLPCCROY-UHFFFAOYSA-N -2 0 369.782 2.747 20 0 FFADRL COc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC001188276771 1006497929 /nfs/dbraw/zinc/49/79/29/1006497929.db2.gz IOUZQMARAIATNQ-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@@H](c2ccccc2F)C1 ZINC001189877427 1007319605 /nfs/dbraw/zinc/31/96/05/1007319605.db2.gz ROASVDNASJNCOI-GFCCVEGCSA-N -2 0 365.297 2.927 20 0 FFADRL O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000902819773 1020497464 /nfs/dbraw/zinc/49/74/64/1020497464.db2.gz KNQZNKHYKFWFBI-CQSZACIVSA-N -2 0 367.401 2.998 20 0 FFADRL O=C([O-])C[C@H](O)C(=O)Oc1c(Cl)c(Cl)c([O-])c(Cl)c1Cl ZINC001231132714 1037481837 /nfs/dbraw/zinc/48/18/37/1037481837.db2.gz NEVDDTUJKKDPSU-REOHCLBHSA-N -2 0 363.964 2.747 20 0 FFADRL CN(C)c1ccc(-c2cc(=O)n(-c3ccc(S(=O)(=O)[O-])cc3)[n-]2)cc1 ZINC001245945201 1039155597 /nfs/dbraw/zinc/15/55/97/1039155597.db2.gz VRHKGXNFVVJSMC-UHFFFAOYSA-N -2 0 359.407 2.558 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cn3ccccc3n2)c(F)cc1Cl ZINC001259214051 1039807765 /nfs/dbraw/zinc/80/77/65/1039807765.db2.gz ZTLSQDSHULEZHO-UHFFFAOYSA-N -2 0 369.761 2.626 20 0 FFADRL CCOC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189818 1040446361 /nfs/dbraw/zinc/44/63/61/1040446361.db2.gz IUUJQZHKYPHDEN-UHFFFAOYSA-N -2 0 363.391 2.671 20 0 FFADRL COc1ccc2cccnc2c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190787 1040447334 /nfs/dbraw/zinc/44/73/34/1040447334.db2.gz FVFAAZRZIWCFGC-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccco3)no2)c1 ZINC001260210322 1040464968 /nfs/dbraw/zinc/46/49/68/1040464968.db2.gz VGQABIXHNGVVFL-UHFFFAOYSA-N -2 0 352.299 2.573 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnc(C(F)(F)F)c2)c1 ZINC001260209307 1040464982 /nfs/dbraw/zinc/46/49/82/1040464982.db2.gz WVNKIDCTPXMFLH-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@@H](C2CCC2)C(F)(F)F)c1 ZINC001260218831 1040468620 /nfs/dbraw/zinc/46/86/20/1040468620.db2.gz SMZJJPDPXNDBEV-NSHDSACASA-N -2 0 355.309 2.533 20 0 FFADRL COc1cccc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)on2)c1 ZINC001260221548 1040472786 /nfs/dbraw/zinc/47/27/86/1040472786.db2.gz WKMNLKXGQYPPSZ-UHFFFAOYSA-N -2 0 374.374 2.849 20 0 FFADRL CCOc1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)no1 ZINC001260869176 1040857816 /nfs/dbraw/zinc/85/78/16/1040857816.db2.gz DRKDKVDHJBOTQE-UHFFFAOYSA-N -2 0 353.183 2.887 20 0 FFADRL Cc1c(Cl)c(Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)ccc1C(=O)[O-] ZINC001215692828 1041860531 /nfs/dbraw/zinc/86/05/31/1041860531.db2.gz SHKKBNYZQHDFDC-UHFFFAOYSA-N -2 0 366.782 2.522 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)nc2)no1 ZINC001241357670 1044505579 /nfs/dbraw/zinc/50/55/79/1044505579.db2.gz AUEMVTTWLNXRTC-UHFFFAOYSA-N -2 0 359.363 2.544 20 0 FFADRL COc1cc2ncnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2c(OC)c1 ZINC001242159479 1044691333 /nfs/dbraw/zinc/69/13/33/1044691333.db2.gz PDUFDQWNUMAYDK-UHFFFAOYSA-N -2 0 354.318 2.710 20 0 FFADRL CCOC(=O)c1cnc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cn12 ZINC001242161080 1044691525 /nfs/dbraw/zinc/69/15/25/1044691525.db2.gz QIBZXFIVUIIESO-UHFFFAOYSA-N -2 0 354.318 2.574 20 0 FFADRL CCOC(=O)c1cc2ncnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2s1 ZINC001242159457 1044691578 /nfs/dbraw/zinc/69/15/78/1044691578.db2.gz OPGCMFPUTMZFCI-UHFFFAOYSA-N -2 0 372.358 2.931 20 0 FFADRL COC(=O)c1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001242161389 1044691781 /nfs/dbraw/zinc/69/17/81/1044691781.db2.gz YQAKTJAFCOYNHU-UHFFFAOYSA-N -2 0 369.251 2.950 20 0 FFADRL O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001349214625 1055146353 /nfs/dbraw/zinc/14/63/53/1055146353.db2.gz VVYPTHXQNNGRAB-LLVKDONJSA-N -2 0 371.828 2.807 20 0 FFADRL O=C([O-])C[C@H](O)c1ccccc1-c1cnc(OCC2CC2)c(C(=O)[O-])c1 ZINC000849474677 1056865857 /nfs/dbraw/zinc/86/58/57/1056865857.db2.gz DFARCODCFOTJNY-INIZCTEOSA-N -2 0 357.362 2.744 20 0 FFADRL CC(C)C[C@H](CNC(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001588854717 1080219599 /nfs/dbraw/zinc/21/95/99/1080219599.db2.gz LBQSRNASLHCHOS-MRVPVSSYSA-N -2 0 362.195 2.771 20 0 FFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000019309232 507164946 /nfs/dbraw/zinc/16/49/46/507164946.db2.gz NFXZHHBUFKETCC-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000057819631 507334147 /nfs/dbraw/zinc/33/41/47/507334147.db2.gz ZCNZSFQZHYJSKW-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1C ZINC000060707107 507575089 /nfs/dbraw/zinc/57/50/89/507575089.db2.gz WHYBNAJQJHORLW-UHFFFAOYSA-N -2 0 368.342 2.850 20 0 FFADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000132806295 509077159 /nfs/dbraw/zinc/07/71/59/509077159.db2.gz SRXCLAJJZDDVLM-UHFFFAOYSA-N -2 0 356.403 2.971 20 0 FFADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000180119133 509762549 /nfs/dbraw/zinc/76/25/49/509762549.db2.gz MXOLUJIKPVMFCV-UHFFFAOYSA-N -2 0 364.398 2.925 20 0 FFADRL CC(C)C[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000263152383 510587379 /nfs/dbraw/zinc/58/73/79/510587379.db2.gz XEHYDFHBYVMIIA-MRVPVSSYSA-N -2 0 373.324 2.502 20 0 FFADRL Cc1oc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)cc2c1C ZINC000185398315 510834983 /nfs/dbraw/zinc/83/49/83/510834983.db2.gz PCXXNEKCHQLXSL-UHFFFAOYSA-N -2 0 364.361 2.947 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)sc1C(=O)[O-] ZINC000319600081 511809764 /nfs/dbraw/zinc/80/97/64/511809764.db2.gz LXEHRBRGYLKNEK-UHFFFAOYSA-N -3 0 355.393 2.562 20 0 FFADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000323749642 511831529 /nfs/dbraw/zinc/83/15/29/511831529.db2.gz SCYKXJHHVPVKNE-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2C(=O)[O-])s1 ZINC000324373771 511836787 /nfs/dbraw/zinc/83/67/87/511836787.db2.gz JZLJYGJDEWVRGM-UHFFFAOYSA-N -2 0 368.436 2.768 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000324750792 511839705 /nfs/dbraw/zinc/83/97/05/511839705.db2.gz PGWBUPJBKBVGSN-UHFFFAOYSA-N -2 0 363.420 2.946 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)c(C(=O)[O-])c1 ZINC000325385814 511847368 /nfs/dbraw/zinc/84/73/68/511847368.db2.gz BDPHUPBQAQQJJW-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1 ZINC000328049444 511885065 /nfs/dbraw/zinc/88/50/65/511885065.db2.gz GVMCWNWMMHHIFX-UHFFFAOYSA-N -2 0 365.407 2.926 20 0 FFADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cn1 ZINC000281786958 511965753 /nfs/dbraw/zinc/96/57/53/511965753.db2.gz HPKDFZZMHMNFKY-UHFFFAOYSA-N -2 0 351.428 2.672 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000391757744 512918794 /nfs/dbraw/zinc/91/87/94/512918794.db2.gz DXTXTJGPQQBAAN-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC)cc1C(=O)[O-] ZINC000392502285 512926013 /nfs/dbraw/zinc/92/60/13/512926013.db2.gz XMZMSFOYTBKYNR-UHFFFAOYSA-N -2 0 353.371 2.896 20 0 FFADRL COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1Cl ZINC000392632576 512926908 /nfs/dbraw/zinc/92/69/08/512926908.db2.gz UDQJGEICRAKYKL-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL C[C@@H](CN(C)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1)C(=O)[O-] ZINC000417775042 513201804 /nfs/dbraw/zinc/20/18/04/513201804.db2.gz OAXZARDMIJEOHA-VIFPVBQESA-N -2 0 360.395 3.136 20 0 FFADRL C[C@]1(C(=O)[O-])CCN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000417789898 513208940 /nfs/dbraw/zinc/20/89/40/513208940.db2.gz MSWREHDZIMRENK-HNNXBMFYSA-N -2 0 366.830 2.609 20 0 FFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)ccc1F ZINC000436016534 513737315 /nfs/dbraw/zinc/73/73/15/513737315.db2.gz KVRICPSNMFJJFF-UHFFFAOYSA-N -2 0 373.365 2.782 20 0 FFADRL COc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2s1 ZINC000430975836 513797020 /nfs/dbraw/zinc/79/70/20/513797020.db2.gz OQFIHCRQWSAYSF-UHFFFAOYSA-N -2 0 368.392 2.705 20 0 FFADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436539105 513889634 /nfs/dbraw/zinc/88/96/34/513889634.db2.gz VDUALALRDPXNKB-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436716902 513954393 /nfs/dbraw/zinc/95/43/93/513954393.db2.gz AQTBQKOPFWHDSA-UHFFFAOYSA-N -2 0 351.380 2.598 20 0 FFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCCc3cc(Cl)ccc32)c1 ZINC000436894976 514023958 /nfs/dbraw/zinc/02/39/58/514023958.db2.gz SODVFNXYKCZSGG-UHFFFAOYSA-N -2 0 367.810 2.885 20 0 FFADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436918468 514033632 /nfs/dbraw/zinc/03/36/32/514033632.db2.gz GUYVTJICNLNCPX-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c(F)c1 ZINC000444424675 514225861 /nfs/dbraw/zinc/22/58/61/514225861.db2.gz MCUQUCHQOHPDOP-UHFFFAOYSA-N -2 0 361.354 2.715 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1C(=O)[O-] ZINC000432757326 514278447 /nfs/dbraw/zinc/27/84/47/514278447.db2.gz AMBKUGLNHRAWMU-UHFFFAOYSA-N -2 0 364.354 2.815 20 0 FFADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000438805191 514445868 /nfs/dbraw/zinc/44/58/68/514445868.db2.gz LFDGVIAPQHLFQV-UHFFFAOYSA-N -2 0 355.755 2.537 20 0 FFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000421143905 514502448 /nfs/dbraw/zinc/50/24/48/514502448.db2.gz AZYDSDTWQFBSGW-AWEZNQCLSA-N -2 0 373.471 2.515 20 0 FFADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000507888013 514598350 /nfs/dbraw/zinc/59/83/50/514598350.db2.gz LTZSMMRFGAMBKQ-NSHDSACASA-N -2 0 351.428 2.970 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000466353378 514619076 /nfs/dbraw/zinc/61/90/76/514619076.db2.gz SASZXGIGZFLARD-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000466415868 514641522 /nfs/dbraw/zinc/64/15/22/514641522.db2.gz IFCVXXOFMYVHJC-UHFFFAOYSA-N -2 0 367.398 2.822 20 0 FFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000471137701 514766957 /nfs/dbraw/zinc/76/69/57/514766957.db2.gz VEXYPCOMSLIDEU-UHFFFAOYSA-N -2 0 352.393 2.737 20 0 FFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC000484804362 514800664 /nfs/dbraw/zinc/80/06/64/514800664.db2.gz QWLFESBEMOQTNA-UHFFFAOYSA-N -2 0 362.411 2.519 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000471566293 514931577 /nfs/dbraw/zinc/93/15/77/514931577.db2.gz MWNYMHUHIDFUBV-UHFFFAOYSA-N -2 0 360.391 2.686 20 0 FFADRL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC000489749138 514960698 /nfs/dbraw/zinc/96/06/98/514960698.db2.gz VKLHJEFSWAETDY-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489763530 514965732 /nfs/dbraw/zinc/96/57/32/514965732.db2.gz IOKNNOAMQCPQFY-QFIPXVFZSA-N -2 0 373.839 2.576 20 0 FFADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1 ZINC000485265878 514980324 /nfs/dbraw/zinc/98/03/24/514980324.db2.gz BPJVTTJIHCAYGX-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000509102965 515024687 /nfs/dbraw/zinc/02/46/87/515024687.db2.gz LSEXGIJJMXKREU-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1c[nH]c3ncccc13)CCCC2 ZINC000509379415 515149131 /nfs/dbraw/zinc/14/91/31/515149131.db2.gz QQROWCIWVQJSDA-UHFFFAOYSA-N -2 0 371.418 2.941 20 0 FFADRL Cc1nc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)cc2s1 ZINC000467923633 515165858 /nfs/dbraw/zinc/16/58/58/515165858.db2.gz YBTBQCSZVGPEDL-UHFFFAOYSA-N -2 0 367.390 2.915 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cnn1CC(C)C ZINC000499272128 515264430 /nfs/dbraw/zinc/26/44/30/515264430.db2.gz JXICRCFQEQURBY-UHFFFAOYSA-N -2 0 369.418 2.794 20 0 FFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477403384 515442731 /nfs/dbraw/zinc/44/27/31/515442731.db2.gz JYZKJMXHRYUNNZ-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000463790034 515616734 /nfs/dbraw/zinc/61/67/34/515616734.db2.gz WIRZLENBVKPIRR-UHFFFAOYSA-N -2 0 374.374 2.855 20 0 FFADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnc(C)s2)cc1)C(=O)[O-] ZINC000463800914 515620811 /nfs/dbraw/zinc/62/08/11/515620811.db2.gz UNFVMLBLUWNXEC-LBPRGKRZSA-N -2 0 354.453 2.906 20 0 FFADRL CCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C(=O)[O-])c1 ZINC000506600519 515926771 /nfs/dbraw/zinc/92/67/71/515926771.db2.gz KXLRZZFHZFPUNR-UHFFFAOYSA-N -2 0 363.391 2.755 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])ccc1C(=O)[O-] ZINC000506728333 515965721 /nfs/dbraw/zinc/96/57/21/515965721.db2.gz DQRQTTHSBDGZML-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000506995794 516048584 /nfs/dbraw/zinc/04/85/84/516048584.db2.gz WOLPIBHXMNXFIJ-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c1 ZINC000512738722 516342504 /nfs/dbraw/zinc/34/25/04/516342504.db2.gz OTPLNTKZEZRJBO-UHFFFAOYSA-N -2 0 367.402 2.721 20 0 FFADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000518229011 516582581 /nfs/dbraw/zinc/58/25/81/516582581.db2.gz QHWRWBSMQKFNIC-UHFFFAOYSA-N -2 0 365.407 2.658 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1C(=O)[O-] ZINC000547869958 516611764 /nfs/dbraw/zinc/61/17/64/516611764.db2.gz UBOWSDZFUORVAK-UHFFFAOYSA-N -3 0 361.331 2.630 20 0 FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2C)c(C(=O)[O-])c1 ZINC000523984008 516623305 /nfs/dbraw/zinc/62/33/05/516623305.db2.gz CAFGTSBELVSJEA-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)ccc2F)c(C(=O)[O-])c1 ZINC000548262310 516855374 /nfs/dbraw/zinc/85/53/74/516855374.db2.gz LHGPDUXDQKKZIQ-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1C ZINC000537197081 517083214 /nfs/dbraw/zinc/08/32/14/517083214.db2.gz JQWTURWFGHPTIV-LLVKDONJSA-N -2 0 351.428 2.970 20 0 FFADRL COc1ccc(OCCS(=O)(=O)[N-]c2cccc(Cl)c2[O-])cc1 ZINC000525669871 517105730 /nfs/dbraw/zinc/10/57/30/517105730.db2.gz SWFGSFXZZHVEEY-UHFFFAOYSA-N -2 0 357.815 2.875 20 0 FFADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1O ZINC000519741683 517155358 /nfs/dbraw/zinc/15/53/58/517155358.db2.gz HDEDXNJSLJSAOE-UHFFFAOYSA-N -2 0 367.354 2.541 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000556701241 517581499 /nfs/dbraw/zinc/58/14/99/517581499.db2.gz AQGGRSAHZKQPHL-UHFFFAOYSA-N -2 0 369.468 2.764 20 0 FFADRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000521779528 517852690 /nfs/dbraw/zinc/85/26/90/517852690.db2.gz PIBIDDKUURJRLU-GFCCVEGCSA-N -2 0 361.373 2.577 20 0 FFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1Cl ZINC000557423575 517997421 /nfs/dbraw/zinc/99/74/21/517997421.db2.gz IFDBQHLMCYDPNG-UHFFFAOYSA-N -2 0 364.210 2.534 20 0 FFADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000539398448 518027446 /nfs/dbraw/zinc/02/74/46/518027446.db2.gz HKAUPYDRUBYICO-LBPRGKRZSA-N -2 0 365.455 2.981 20 0 FFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000539398447 518027950 /nfs/dbraw/zinc/02/79/50/518027950.db2.gz HKAUPYDRUBYICO-GFCCVEGCSA-N -2 0 365.455 2.981 20 0 FFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000517153236 518042881 /nfs/dbraw/zinc/04/28/81/518042881.db2.gz DFUFVPZDHYCAEP-UHFFFAOYSA-N -2 0 351.380 2.593 20 0 FFADRL C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000563765471 518114101 /nfs/dbraw/zinc/11/41/01/518114101.db2.gz VCVAAIHIZBOXOF-HZMBPMFUSA-N -2 0 355.362 2.705 20 0 FFADRL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000575965591 518363725 /nfs/dbraw/zinc/36/37/25/518363725.db2.gz PDLFZASVUDXDMI-TVQRCGJNSA-N -2 0 365.373 2.806 20 0 FFADRL CC[C@@](C)(NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1nc(C)cs1 ZINC000572997673 518458811 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FFADRL COc1cnc(Br)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176240477 1013657540 /nfs/dbraw/zinc/65/75/40/1013657540.db2.gz XNYJFDSEDRVXAQ-UHFFFAOYSA-N -2 0 367.155 2.993 20 0 FFADRL COC(=O)c1c(F)ccc(F)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241935 1013657584 /nfs/dbraw/zinc/65/75/84/1013657584.db2.gz FUFBGCVWGCBQGJ-UHFFFAOYSA-N -2 0 351.261 2.891 20 0 FFADRL CC(C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(C)(F)F ZINC000405911667 973911971 /nfs/dbraw/zinc/91/19/71/973911971.db2.gz VGQCWSUWGWYMSX-UHFFFAOYSA-N -2 0 359.753 2.889 20 0 FFADRL CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC001591778078 975936721 /nfs/dbraw/zinc/93/67/21/975936721.db2.gz MCHPUGDGROUVJU-UHFFFAOYSA-N -2 0 354.359 2.507 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3cc(C(=O)[O-])n(C)c3)n2)cc1 ZINC001591943159 976475606 /nfs/dbraw/zinc/47/56/06/976475606.db2.gz FQSDEEAKQQTEPW-UHFFFAOYSA-N -2 0 368.393 2.990 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@](C)(CCF)C(=O)[O-])n2)cc1 ZINC001591943117 976475661 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20 0 FFADRL CCOc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)ccc1C ZINC001597042820 986496078 /nfs/dbraw/zinc/49/60/78/986496078.db2.gz CDLVKYKTRPQYBW-UHFFFAOYSA-N -2 0 365.407 2.901 20 0 FFADRL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncsc1C1CC1 ZINC001597075971 986606460 /nfs/dbraw/zinc/60/64/60/986606460.db2.gz GDZBNQNIQXCPKL-UHFFFAOYSA-N -2 0 368.436 2.918 20 0 FFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nc1C ZINC001597126179 986836515 /nfs/dbraw/zinc/83/65/15/986836515.db2.gz XGRPDXBMCUCTRK-UHFFFAOYSA-N -2 0 350.396 2.596 20 0 FFADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cccc(C(=O)[O-])c2N)n1 ZINC001597604623 988482957 /nfs/dbraw/zinc/48/29/57/988482957.db2.gz RGXRXIDVYSTAPN-UHFFFAOYSA-N -2 0 366.377 2.673 20 0 FFADRL CSc1ccc(O)c(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)c1 ZINC001599820151 988499021 /nfs/dbraw/zinc/49/90/21/988499021.db2.gz PBTWQADDWXJAKV-SGIREYDYSA-N -2 0 365.451 2.599 20 0 FFADRL CSc1ccccc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC001599826408 988604514 /nfs/dbraw/zinc/60/45/14/988604514.db2.gz NMXXBNCESXEHIY-UHFFFAOYSA-N -2 0 358.466 2.683 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1C ZINC001597785226 989301138 /nfs/dbraw/zinc/30/11/38/989301138.db2.gz DNWLPCCUMRQQOT-UHFFFAOYSA-N -2 0 369.395 2.667 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC001597785676 989305709 /nfs/dbraw/zinc/30/57/09/989305709.db2.gz MWBMVYKJCBYHJI-UHFFFAOYSA-N -2 0 367.408 2.793 20 0 FFADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)n[n-]1 ZINC001590363446 989824690 /nfs/dbraw/zinc/82/46/90/989824690.db2.gz ZSGRBAQDGJPWCR-UHFFFAOYSA-N -2 0 359.382 2.635 20 0 FFADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC001590556578 990197776 /nfs/dbraw/zinc/19/77/76/990197776.db2.gz VYAAGGWAXCXYPW-RMKNXTFCSA-N -2 0 361.423 2.673 20 0 FFADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001590799320 990627746 /nfs/dbraw/zinc/62/77/46/990627746.db2.gz QCGCSQZDBFKXFS-UHFFFAOYSA-N -2 0 361.419 2.524 20 0 FFADRL CN(C)Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC001598252087 991030931 /nfs/dbraw/zinc/03/09/31/991030931.db2.gz CXKOBXHQIIVSDB-UHFFFAOYSA-N -2 0 374.871 2.962 20 0 FFADRL CN(C)c1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC001598300976 991250914 /nfs/dbraw/zinc/25/09/14/991250914.db2.gz HRKATGWLMJYSDO-UHFFFAOYSA-N -2 0 356.350 2.530 20 0 FFADRL C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593325915 994871232 /nfs/dbraw/zinc/87/12/32/994871232.db2.gz DRXKSRGHERYBPY-WCQYABFASA-N -2 0 369.389 2.575 20 0 FFADRL C[C@@H](Oc1ccccc1CN[C@@H](C)c1nc(C(=O)[O-])cs1)C(=O)[O-] ZINC001593649278 996000831 /nfs/dbraw/zinc/00/08/31/996000831.db2.gz QWDMAQWXFMBNPJ-VHSXEESVSA-N -2 0 350.396 2.544 20 0 FFADRL C[C@H](NCc1ccccc1O[C@@H](C)C(=O)[O-])c1nc(C(=O)[O-])cs1 ZINC001593649277 996001124 /nfs/dbraw/zinc/00/11/24/996001124.db2.gz QWDMAQWXFMBNPJ-UWVGGRQHSA-N -2 0 350.396 2.544 20 0 FFADRL CC1(C)CCC[C@H](CC(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001593885472 996722568 /nfs/dbraw/zinc/72/25/68/996722568.db2.gz LTSMPPJKAIKPRV-CYBMUJFWSA-N -2 0 367.467 2.937 20 0 FFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1-c1cn[nH]c1 ZINC001599383369 996899494 /nfs/dbraw/zinc/89/94/94/996899494.db2.gz CFGRKSWVHFAFKS-UHFFFAOYSA-N -2 0 373.390 2.584 20 0 FFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nn(C(C)C)cc1Cl ZINC001599384138 996914303 /nfs/dbraw/zinc/91/43/03/996914303.db2.gz SKUPEYUHFJUBDG-UHFFFAOYSA-N -2 0 373.818 2.625 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnn(C2CCCC2)c1 ZINC001599387230 996967062 /nfs/dbraw/zinc/96/70/62/996967062.db2.gz CBWVYVYZWLAWCU-UHFFFAOYSA-N -2 0 371.440 2.567 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2c(n1)CCCC2 ZINC001599387260 996968784 /nfs/dbraw/zinc/96/87/84/996968784.db2.gz DAZGWHBZPSYNNP-UHFFFAOYSA-N -2 0 368.436 2.530 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc(C(C)(C)C)co1 ZINC001599388202 996983554 /nfs/dbraw/zinc/98/35/54/996983554.db2.gz XPRKRYKIDMABBT-UHFFFAOYSA-N -2 0 360.413 2.541 20 0 FFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])sc2C)c1 ZINC001599295369 997131628 /nfs/dbraw/zinc/13/16/28/997131628.db2.gz ZZZYAFRAKKGESC-UHFFFAOYSA-N -2 0 371.436 2.711 20 0 FFADRL COCc1nc([N-]S(=O)(=O)c2ccc(SC)cc2)sc1C(=O)[O-] ZINC001599303641 997274727 /nfs/dbraw/zinc/27/47/27/997274727.db2.gz LREJZTVGXXSXKL-UHFFFAOYSA-N -2 0 374.465 2.510 20 0 FFADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599418383 997550226 /nfs/dbraw/zinc/55/02/26/997550226.db2.gz GNPIMLRNEFVWLF-UHFFFAOYSA-N -2 0 370.814 2.859 20 0 FFADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C)ccc1O ZINC001599329851 997728962 /nfs/dbraw/zinc/72/89/62/997728962.db2.gz HLYOIZMCRCBBAG-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL COc1c(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cccc1C(=O)[O-] ZINC001599342140 997938808 /nfs/dbraw/zinc/93/88/08/997938808.db2.gz KYSSWJKHPIULLU-UHFFFAOYSA-N -2 0 371.324 2.676 20 0 FFADRL COC(=O)c1cc(NC(=O)c2ncc3ccccc3c2[O-])cc(C(=O)[O-])c1 ZINC001598947897 998090845 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2.836 20 0 FFADRL COc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc(F)c1F ZINC001185917691 1003130638 /nfs/dbraw/zinc/13/06/38/1003130638.db2.gz HXWHTXHGGQCAOO-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)no1 ZINC001196068426 1003660611 /nfs/dbraw/zinc/66/06/11/1003660611.db2.gz PNEQBYMWKQVCDL-UHFFFAOYSA-N -2 0 374.374 2.849 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)F)cn2)cc1 ZINC001192116423 1004057885 /nfs/dbraw/zinc/05/78/85/1004057885.db2.gz ROOLYGCUQCMTCF-UHFFFAOYSA-N -2 0 356.350 2.837 20 0 FFADRL O=S(=O)(Cc1cccnc1)[N-]c1cc(Br)cc(F)c1[O-] ZINC001197465544 1004225504 /nfs/dbraw/zinc/22/55/04/1004225504.db2.gz YEMXOHXNRRILRW-UHFFFAOYSA-N -2 0 361.192 2.631 20 0 FFADRL CCOc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193972196 1004622642 /nfs/dbraw/zinc/62/26/42/1004622642.db2.gz WQTJGCYAVQEHFU-UHFFFAOYSA-N -2 0 374.777 2.772 20 0 FFADRL Cn1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739512 1004717618 /nfs/dbraw/zinc/71/76/18/1004717618.db2.gz VWQPPLYLTRBICZ-UHFFFAOYSA-N -2 0 357.391 2.586 20 0 FFADRL Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195205995 1004916428 /nfs/dbraw/zinc/91/64/28/1004916428.db2.gz VMPOLSFMMOCWBL-UHFFFAOYSA-N -2 0 371.365 2.694 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCc3ccccc32)c(F)cc1F ZINC001195250229 1004923298 /nfs/dbraw/zinc/92/32/98/1004923298.db2.gz XKOQOCLDWJXWGW-AWEZNQCLSA-N -2 0 353.346 2.629 20 0 FFADRL Cc1nc(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC001188276803 1006498417 /nfs/dbraw/zinc/49/84/17/1006498417.db2.gz KRBLDKKTTKDVJT-UHFFFAOYSA-N -2 0 362.194 2.591 20 0 FFADRL Cn1cc2cccc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)c2n1 ZINC001188308505 1006528871 /nfs/dbraw/zinc/52/88/71/1006528871.db2.gz DGPYFGYEKLZJOC-UHFFFAOYSA-N -2 0 365.798 2.726 20 0 FFADRL O=C(Nc1cnc(-c2ccccc2)cn1)c1ccccc1OP(=O)([O-])[O-] ZINC001189861654 1007309731 /nfs/dbraw/zinc/30/97/31/1007309731.db2.gz XPINKRPVGTUTIF-UHFFFAOYSA-N -2 0 371.289 2.867 20 0 FFADRL O=C(Nc1cnc2ccc(O)cc2c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189872943 1007318341 /nfs/dbraw/zinc/31/83/41/1007318341.db2.gz YGNNRJZZUGFWJQ-UHFFFAOYSA-N -2 0 360.262 2.664 20 0 FFADRL COc1cc(NC(=O)c2ccccc2OP(=O)([O-])[O-])cc2cccnc21 ZINC001189889312 1007358539 /nfs/dbraw/zinc/35/85/39/1007358539.db2.gz RMPFPBRMXKEFIL-UHFFFAOYSA-N -2 0 374.289 2.967 20 0 FFADRL COc1cnc2c(cccc2NC(=O)c2ccccc2OP(=O)([O-])[O-])c1 ZINC001189889316 1007358553 /nfs/dbraw/zinc/35/85/53/1007358553.db2.gz RRMGLFIBHUSVNG-UHFFFAOYSA-N -2 0 374.289 2.967 20 0 FFADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3F)cc2)[n-]1 ZINC001190405058 1007615666 /nfs/dbraw/zinc/61/56/66/1007615666.db2.gz RGLWQLWGDKTYPL-UHFFFAOYSA-N -2 0 369.324 2.796 20 0 FFADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)CC[C@H]2CCc3ccccc32)c1 ZINC000863965225 1010367552 /nfs/dbraw/zinc/36/75/52/1010367552.db2.gz VLECMYDMCZPESL-CQSZACIVSA-N -2 0 373.430 2.565 20 0 FFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c[nH]1 ZINC000680022393 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Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)n1 ZINC000738793286 600613011 /nfs/dbraw/zinc/61/30/11/600613011.db2.gz VZSBRZXHOHPGFB-UHFFFAOYSA-N -2 0 359.363 2.544 20 0 FFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000826113268 600668880 /nfs/dbraw/zinc/66/88/80/600668880.db2.gz GPPGERQVANFIFE-QGZVFWFLSA-N -2 0 351.424 2.585 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)cc1C(=O)[O-] ZINC000727362920 600814959 /nfs/dbraw/zinc/81/49/59/600814959.db2.gz HZWRVPGVQSULFI-UHFFFAOYSA-N -2 0 362.379 2.839 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)cc1C(=O)[O-] ZINC000833055798 600828583 /nfs/dbraw/zinc/82/85/83/600828583.db2.gz OJOODLWPAJQSJI-UHFFFAOYSA-N -2 0 363.420 2.648 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(Br)c1 ZINC000096703772 600981811 /nfs/dbraw/zinc/98/18/11/600981811.db2.gz DIASIROEFJPARN-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000833335217 600983050 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602054689 /nfs/dbraw/zinc/05/46/89/602054689.db2.gz IYZUBRSAFKTTGL-LJQANCHMSA-N -2 0 357.410 2.638 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)cc(C(=O)[O-])c1C ZINC000832904297 602113265 /nfs/dbraw/zinc/11/32/65/602113265.db2.gz FNQUECAAJSKKNC-UHFFFAOYSA-N -2 0 364.379 2.892 20 0 FFADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000759706469 602196662 /nfs/dbraw/zinc/19/66/62/602196662.db2.gz OLBRBLGPYRBLMZ-UHFFFAOYSA-N -2 0 365.798 2.726 20 0 FFADRL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)n[nH]1 ZINC000832900667 602296390 /nfs/dbraw/zinc/29/63/90/602296390.db2.gz JFORKDHDZWNSPI-UHFFFAOYSA-N -2 0 363.351 2.602 20 0 FFADRL CN(CC1CCN(C(=O)c2ccc(Br)cc2O)CC1)C(=O)[O-] ZINC000739658698 602407481 /nfs/dbraw/zinc/40/74/81/602407481.db2.gz YVFYAJCSBVUCMN-UHFFFAOYSA-N -2 0 371.231 2.617 20 0 FFADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000740119402 602566002 /nfs/dbraw/zinc/56/60/02/602566002.db2.gz PKYHJTDAWLUFQD-UHFFFAOYSA-N -2 0 366.370 2.651 20 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ZINC000834262439 606100828 /nfs/dbraw/zinc/10/08/28/606100828.db2.gz QSJYFUPOAPYPLD-UHFFFAOYSA-N -3 0 372.305 2.554 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000007230537 727791025 /nfs/dbraw/zinc/79/10/25/727791025.db2.gz DXNLFCZJCLJRLA-UHFFFAOYSA-N -2 0 361.297 2.926 20 0 FFADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000126806644 728704714 /nfs/dbraw/zinc/70/47/14/728704714.db2.gz WZMOJLKOWARBET-UHFFFAOYSA-N -2 0 354.359 2.807 20 0 FFADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000193497108 729480906 /nfs/dbraw/zinc/48/09/06/729480906.db2.gz CSZJSCDVHTWTKH-UHFFFAOYSA-N -2 0 362.741 2.821 20 0 FFADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000320217731 729750648 /nfs/dbraw/zinc/75/06/48/729750648.db2.gz UWEBFCYJICWLOV-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000324030769 729755925 /nfs/dbraw/zinc/75/59/25/729755925.db2.gz OQQUCEJFBVFZCD-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1C(=O)[O-] ZINC000325070708 729758327 /nfs/dbraw/zinc/75/83/27/729758327.db2.gz XESYXCZKPSJCQQ-UHFFFAOYSA-N -2 0 365.436 2.925 20 0 FFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000325605529 729759270 /nfs/dbraw/zinc/75/92/70/729759270.db2.gz PLODGONQXHXNOZ-UHFFFAOYSA-N -2 0 355.391 2.654 20 0 FFADRL Cc1cccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1C(=O)[O-] ZINC000327182169 729792222 /nfs/dbraw/zinc/79/22/22/729792222.db2.gz AXQGGOMOLPSKQO-UHFFFAOYSA-N -2 0 359.359 2.600 20 0 FFADRL N#Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cn1 ZINC000328294977 729794275 /nfs/dbraw/zinc/79/42/75/729794275.db2.gz JERGERIEPBDMCV-UHFFFAOYSA-N -2 0 353.359 2.605 20 0 FFADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000390216493 729838298 /nfs/dbraw/zinc/83/82/98/729838298.db2.gz GKGFBABVVUVSGD-UHFFFAOYSA-N -2 0 355.799 2.777 20 0 FFADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC000863956845 730818044 /nfs/dbraw/zinc/81/80/44/730818044.db2.gz UMHIOQRTKIIFLF-OAHLLOKOSA-N -2 0 353.440 2.506 20 0 FFADRL CCc1nc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cn1CC1CC1 ZINC000663252490 732402180 /nfs/dbraw/zinc/40/21/80/732402180.db2.gz BNUYUIGUCMYTSY-UHFFFAOYSA-N -2 0 363.439 2.663 20 0 FFADRL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1sccc1Cl)C(F)(F)F ZINC000663293269 732411426 /nfs/dbraw/zinc/41/14/26/732411426.db2.gz CMIFADIJVQNUST-ZCFIWIBFSA-N -2 0 365.782 2.723 20 0 FFADRL CC(C)(CC[N-]S(=O)(=O)c1occc1Br)CCC(=O)[O-] ZINC000926463267 738618234 /nfs/dbraw/zinc/61/82/34/738618234.db2.gz JPSBCCYOZZYKPG-UHFFFAOYSA-N -2 0 368.249 2.602 20 0 FFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000673885383 733655371 /nfs/dbraw/zinc/65/53/71/733655371.db2.gz WPSBNIXHLDPOGV-UHFFFAOYSA-N -2 0 373.818 2.694 20 0 FFADRL Cc1nn(-c2ccccc2)c(=NC(=O)c2cccc(Br)c2[O-])[n-]1 ZINC000674670752 733724556 /nfs/dbraw/zinc/72/45/56/733724556.db2.gz DWLQPSQRTFRSAH-UHFFFAOYSA-N -2 0 373.210 2.718 20 0 FFADRL C[C@H](NC(=O)c1cccc(Br)c1[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000739022263 735045821 /nfs/dbraw/zinc/04/58/21/735045821.db2.gz DRVTXYQEPTXWDX-UWVGGRQHSA-N -2 0 371.231 2.663 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)nn1C ZINC000747795348 735591396 /nfs/dbraw/zinc/59/13/96/735591396.db2.gz VRINCBQWOHIDBP-UHFFFAOYSA-N -2 0 364.210 2.534 20 0 FFADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000751260835 735859296 /nfs/dbraw/zinc/85/92/96/735859296.db2.gz GNYGWZYDHBALKS-UHFFFAOYSA-N -2 0 351.355 2.836 20 0 FFADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000910185270 737037583 /nfs/dbraw/zinc/03/75/83/737037583.db2.gz WCIUPAKBWVFHGC-RSJDFQLWSA-N -2 0 365.348 2.522 20 0 FFADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1 ZINC000766570118 737243255 /nfs/dbraw/zinc/24/32/55/737243255.db2.gz CGPUVZDCEABWID-UHFFFAOYSA-N -2 0 353.371 2.780 20 0 FFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C ZINC000775678206 738111931 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CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccc(CC(=O)[O-])cc1 ZINC001240976935 1044469692 /nfs/dbraw/zinc/46/96/92/1044469692.db2.gz DHPZCFYDAKSOOF-UHFFFAOYSA-N -2 0 359.407 2.819 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(-c3cc(C(=O)[O-])ccc3C)nc2)no1 ZINC001241000218 1044475857 /nfs/dbraw/zinc/47/58/57/1044475857.db2.gz IMQMXKVSHYQTQK-UHFFFAOYSA-N -2 0 373.390 2.852 20 0 FFADRL COC(=O)c1cc(C(F)(F)F)cnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159235 1044691454 /nfs/dbraw/zinc/69/14/54/1044691454.db2.gz DUZZYNQQQLDHPB-UHFFFAOYSA-N -2 0 369.251 2.950 20 0 FFADRL CCOC(=O)c1cc2ccnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2[nH]1 ZINC001242159472 1044691738 /nfs/dbraw/zinc/69/17/38/1044691738.db2.gz LLVPSKDBERVEFJ-UHFFFAOYSA-N -2 0 354.318 2.803 20 0 FFADRL CCN(CC)C(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)c(OC)c1 ZINC001243499128 1044939130 /nfs/dbraw/zinc/93/91/30/1044939130.db2.gz LWXBMMFVBIGLDG-UHFFFAOYSA-N -2 0 363.350 2.647 20 0 FFADRL COc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC001320140299 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CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000442352218 513705484 /nfs/dbraw/zinc/70/54/84/513705484.db2.gz REAYJSPTJFEQAZ-UHFFFAOYSA-N -2 0 363.391 2.671 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000436836851 514001550 /nfs/dbraw/zinc/00/15/50/514001550.db2.gz FRIVRSZUAQSXQD-UHFFFAOYSA-N -2 0 374.374 2.855 20 0 FFADRL CC(C)C[C@H](CNC(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)C(=O)[O-] ZINC000424383627 514467151 /nfs/dbraw/zinc/46/71/51/514467151.db2.gz QFVVJKCPDFJLMK-MVIFTORASA-N -2 0 364.427 3.170 20 0 FFADRL CC(C)(CCNC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1)C(=O)[O-] ZINC000424384535 514468767 /nfs/dbraw/zinc/46/87/67/514468767.db2.gz FLGKXJLYVDPKDN-UHFFFAOYSA-N -2 0 374.422 3.574 20 0 FFADRL Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NCCC(C)(C)C(=O)[O-])s1 ZINC000424391964 514471981 /nfs/dbraw/zinc/47/19/81/514471981.db2.gz RZBOOFZSASZWHD-UHFFFAOYSA-N -2 0 366.418 3.275 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000466326471 514610904 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20 0 FFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489716800 514950182 /nfs/dbraw/zinc/95/01/82/514950182.db2.gz BTKLOFVYOLWIKP-UHFFFAOYSA-N -3 0 369.782 2.846 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C(=O)[O-] ZINC000485264129 514978421 /nfs/dbraw/zinc/97/84/21/514978421.db2.gz WMAAIOOCJNKTIT-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471983284 515075756 /nfs/dbraw/zinc/07/57/56/515075756.db2.gz ARBUXAWCZAZYSJ-UHFFFAOYSA-N -2 0 364.354 2.815 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)o1 ZINC000471983886 515076256 /nfs/dbraw/zinc/07/62/56/515076256.db2.gz DDCHMCGGPAEZJT-UHFFFAOYSA-N -2 0 365.285 2.986 20 0 FFADRL Cc1cc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc(C(=O)[O-])c1C ZINC000485942519 515267133 /nfs/dbraw/zinc/26/71/33/515267133.db2.gz SINRUEAICKCYFX-UHFFFAOYSA-N -2 0 362.407 2.625 20 0 FFADRL CCOc1ccc(N(CC)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000468486301 515383697 /nfs/dbraw/zinc/38/36/97/515383697.db2.gz HDOIIFWWTAWVNW-UHFFFAOYSA-N -2 0 368.393 2.810 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)sc1C(=O)[O-] ZINC000510095885 515432922 /nfs/dbraw/zinc/43/29/22/515432922.db2.gz UEUSJHRXCDPJFS-UHFFFAOYSA-N -2 0 355.393 2.593 20 0 FFADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1CCC(C)C ZINC000491588075 515456819 /nfs/dbraw/zinc/45/68/19/515456819.db2.gz DYODIUDOPTVXBD-UHFFFAOYSA-N -2 0 365.455 2.991 20 0 FFADRL CC1(C)Cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc2O1 ZINC000468959753 515601449 /nfs/dbraw/zinc/60/14/49/515601449.db2.gz MJLDJAJEGJHKFM-UHFFFAOYSA-N -2 0 353.421 2.961 20 0 FFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000487387158 515845693 /nfs/dbraw/zinc/84/56/93/515845693.db2.gz ICAHMZRZAOODBP-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1 ZINC000464840192 515984904 /nfs/dbraw/zinc/98/49/04/515984904.db2.gz SVTRTQGWUNGCJR-UHFFFAOYSA-N -2 0 363.391 2.549 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000474392746 516027578 /nfs/dbraw/zinc/02/75/78/516027578.db2.gz OBELSCPJJSMAOE-UHFFFAOYSA-N -2 0 361.322 2.731 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1 ZINC000479183213 516094097 /nfs/dbraw/zinc/09/40/97/516094097.db2.gz LKWKPUSDGGEHNK-UHFFFAOYSA-N -2 0 367.398 2.997 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)ccc1C(=O)[O-] ZINC000479187826 516096986 /nfs/dbraw/zinc/09/69/86/516096986.db2.gz KNUJAIMNAQQGBV-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c(C)c1C(=O)[O-] ZINC000512737577 516341571 /nfs/dbraw/zinc/34/15/71/516341571.db2.gz GRBIJQHZRPXPTP-UHFFFAOYSA-N -2 0 363.439 2.890 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000512761414 516349738 /nfs/dbraw/zinc/34/97/38/516349738.db2.gz AYBJTFCSNPYFRH-UHFFFAOYSA-N -2 0 351.355 2.568 20 0 FFADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000531384344 516441194 /nfs/dbraw/zinc/44/11/94/516441194.db2.gz VZDHEXXVNAQQKM-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000535893604 516545123 /nfs/dbraw/zinc/54/51/23/516545123.db2.gz YXIRCGDXJWVANC-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL CCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC000518083508 516545695 /nfs/dbraw/zinc/54/56/95/516545695.db2.gz PJWDJPZIPRLSJB-UHFFFAOYSA-N -2 0 367.402 2.809 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(O)c1 ZINC000551108329 516563997 /nfs/dbraw/zinc/56/39/97/516563997.db2.gz QJOXWIZBWDYAKT-UHFFFAOYSA-N -2 0 363.725 2.823 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c23)cc1 ZINC000547883831 516618682 /nfs/dbraw/zinc/61/86/82/516618682.db2.gz MAGXBMHVWNNRSF-UHFFFAOYSA-N -2 0 351.771 2.715 20 0 FFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c(C)o1 ZINC000544639396 516850598 /nfs/dbraw/zinc/85/05/98/516850598.db2.gz FADMPNNBQQVFIE-UHFFFAOYSA-N -2 0 373.770 2.527 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000541303729 516976193 /nfs/dbraw/zinc/97/61/93/516976193.db2.gz GNTLDBFXMRIVCY-SNVBAGLBSA-N -2 0 367.402 2.801 20 0 FFADRL C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000541306220 516978105 /nfs/dbraw/zinc/97/81/05/516978105.db2.gz JGPMMHQWPUBBAD-NSHDSACASA-N -2 0 363.391 2.764 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)sc1C ZINC000548526357 517035761 /nfs/dbraw/zinc/03/57/61/517035761.db2.gz IRSHWSHKUYOQBJ-UHFFFAOYSA-N -3 0 355.393 2.562 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c(F)c1 ZINC000537394513 517169408 /nfs/dbraw/zinc/16/94/08/517169408.db2.gz MWLRFHDFOMYSHL-UHFFFAOYSA-N -2 0 362.338 2.980 20 0 FFADRL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000515174208 517239804 /nfs/dbraw/zinc/23/98/04/517239804.db2.gz WWEUXBQXFLSVIB-IINYFYTJSA-N -2 0 367.801 2.930 20 0 FFADRL Cc1ncsc1[C@H](NS(=O)(=O)c1cccc(Cl)c1C)C(=O)[O-] ZINC000527301742 517624054 /nfs/dbraw/zinc/62/40/54/517624054.db2.gz SESCACFLULGXRC-NSHDSACASA-N -2 0 360.844 2.518 20 0 FFADRL CCOc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1F ZINC000533897651 517658959 /nfs/dbraw/zinc/65/89/59/517658959.db2.gz YPQWEKVSXKLOJR-UHFFFAOYSA-N -2 0 373.333 2.568 20 0 FFADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000521236922 517666010 /nfs/dbraw/zinc/66/60/10/517666010.db2.gz JQPMICMJAITSAF-UHFFFAOYSA-N -2 0 360.844 2.899 20 0 FFADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000521632941 517804079 /nfs/dbraw/zinc/80/40/79/517804079.db2.gz OKXKKFVPYSOPHV-UHFFFAOYSA-N -2 0 365.407 2.981 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC000517043754 517994962 /nfs/dbraw/zinc/99/49/62/517994962.db2.gz UNOOBZKWPVIUFU-UHFFFAOYSA-N -2 0 372.349 2.744 20 0 FFADRL CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(C)cc3C(=O)[O-])cc12 ZINC000547242555 518034464 /nfs/dbraw/zinc/03/44/64/518034464.db2.gz QBRNUDMJTWHKTL-UHFFFAOYSA-N -2 0 361.379 2.593 20 0 FFADRL Cn1ncc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1C(=O)[O-] ZINC000539843435 518171033 /nfs/dbraw/zinc/17/10/33/518171033.db2.gz SLCOTSGCLMBUJY-UHFFFAOYSA-N -2 0 357.391 2.586 20 0 FFADRL O=C([O-])Cc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000567038155 518322208 /nfs/dbraw/zinc/32/22/08/518322208.db2.gz WEAHLFDRPJRHAU-UHFFFAOYSA-N -2 0 357.334 2.716 20 0 FFADRL CCOC(=O)c1n[nH]c(-c2cccc(CN=c3nc(C(C)C)[n-]s3)c2)n1 ZINC000575939297 518353040 /nfs/dbraw/zinc/35/30/40/518353040.db2.gz QXNGSKACXOUEQV-UHFFFAOYSA-N -2 0 372.454 2.657 20 0 FFADRL CC[C@H](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC000584824145 518493868 /nfs/dbraw/zinc/49/38/68/518493868.db2.gz PXLOVTGYZOGGNK-MRVPVSSYSA-N -2 0 357.325 2.624 20 0 FFADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC000564809059 518624975 /nfs/dbraw/zinc/62/49/75/518624975.db2.gz KRLYYFPLYJXGOP-UHFFFAOYSA-N -2 0 361.419 2.830 20 0 FFADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000576680265 518708486 /nfs/dbraw/zinc/70/84/86/518708486.db2.gz DATVSKUMEOZWPW-UHFFFAOYSA-N -2 0 351.428 2.659 20 0 FFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000582760318 518907180 /nfs/dbraw/zinc/90/71/80/518907180.db2.gz CZJISOOQPHBRGI-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL COc1cccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])c1 ZINC000589435380 519002762 /nfs/dbraw/zinc/00/27/62/519002762.db2.gz VFPWGAWFSREOOL-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)s2)c1 ZINC000565950494 519214115 /nfs/dbraw/zinc/21/41/15/519214115.db2.gz GAFCXWRIJBTGBS-OCCSQVGLSA-N -2 0 374.466 2.818 20 0 FFADRL CC(C)(CCC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000566312403 519427942 /nfs/dbraw/zinc/42/79/42/519427942.db2.gz NJXNMMVGLAQYQX-UHFFFAOYSA-N -2 0 355.790 2.788 20 0 FFADRL Cc1n[n-]c(=NC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)s1 ZINC000566598456 519569785 /nfs/dbraw/zinc/56/97/85/519569785.db2.gz IKBYHMDEJIXWHU-SECBINFHSA-N -2 0 361.210 2.523 20 0 FFADRL CN(C(=O)N=c1[n-]ncs1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000569538740 519599159 /nfs/dbraw/zinc/59/91/59/519599159.db2.gz MWFXMRWPBURJEQ-SECBINFHSA-N -2 0 361.210 3.135 20 0 FFADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000592715357 520537952 /nfs/dbraw/zinc/53/79/52/520537952.db2.gz VVBHFKHGZSIBNK-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL Cc1cc(C(=O)Nc2ccccc2N(C)C(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000614405600 520948908 /nfs/dbraw/zinc/94/89/08/520948908.db2.gz UGADFLLHQLMOHR-UHFFFAOYSA-N -2 0 367.409 2.841 20 0 FFADRL CCCc1n[n-]c(=NC(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])s1 ZINC000499776465 561558273 /nfs/dbraw/zinc/55/82/73/561558273.db2.gz FMLQWZWQLUOMDB-UHFFFAOYSA-N -2 0 359.411 2.643 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])o1 ZINC000740177570 599738922 /nfs/dbraw/zinc/73/89/22/599738922.db2.gz KCRRPKVZBYYPCL-UHFFFAOYSA-N -3 0 361.331 2.630 20 0 FFADRL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000737258169 599793058 /nfs/dbraw/zinc/79/30/58/599793058.db2.gz YWCSHAHZPTXCRL-SNVBAGLBSA-N -2 0 367.448 2.617 20 0 FFADRL CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000737273875 599813489 /nfs/dbraw/zinc/81/34/89/599813489.db2.gz FDTWDZGNLMQEOR-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)o1 ZINC000740178013 599886337 /nfs/dbraw/zinc/88/63/37/599886337.db2.gz ZRBPOIFHJJYDCX-UHFFFAOYSA-N -2 0 367.770 2.618 20 0 FFADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000739051814 599886554 /nfs/dbraw/zinc/88/65/54/599886554.db2.gz VZZWQDRYCMLKHH-UHFFFAOYSA-N -2 0 357.457 2.569 20 0 FFADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000738280797 600054946 /nfs/dbraw/zinc/05/49/46/600054946.db2.gz LFTQQSYCRFOJQC-UHFFFAOYSA-N -2 0 371.418 2.739 20 0 FFADRL O=C([O-])CCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000738591734 600059243 /nfs/dbraw/zinc/05/92/43/600059243.db2.gz ISFZSYCMNXLASI-UHFFFAOYSA-N -2 0 368.798 2.564 20 0 FFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(CSCCC(=O)[O-])c1 ZINC000738945358 600070334 /nfs/dbraw/zinc/07/03/34/600070334.db2.gz SJXBZGQHLUUVLQ-UHFFFAOYSA-N -2 0 370.452 2.800 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)s1 ZINC000320577802 600103102 /nfs/dbraw/zinc/10/31/02/600103102.db2.gz AAABKGXIMUBFJT-UHFFFAOYSA-N -2 0 352.437 2.847 20 0 FFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1O ZINC000740227780 600177411 /nfs/dbraw/zinc/17/74/11/600177411.db2.gz ZIWXXYJNGIXZDI-UHFFFAOYSA-N -2 0 363.178 2.593 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)o1 ZINC000740177974 600179697 /nfs/dbraw/zinc/17/96/97/600179697.db2.gz YDDGYRZKLGAZKT-UHFFFAOYSA-N -2 0 354.359 2.518 20 0 FFADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000736493721 600233324 /nfs/dbraw/zinc/23/33/24/600233324.db2.gz BOHFSHVPLLMZGX-UHFFFAOYSA-N -2 0 372.349 2.646 20 0 FFADRL CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736354876 600242475 /nfs/dbraw/zinc/24/24/75/600242475.db2.gz MCRUAFBYZGXVMD-MRVPVSSYSA-N -2 0 367.345 2.501 20 0 FFADRL O=C([O-])[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])c2ccccc21 ZINC000388038070 600364906 /nfs/dbraw/zinc/36/49/06/600364906.db2.gz MDJJJBOTZKXFKL-LBPRGKRZSA-N -2 0 362.179 2.983 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c(Br)c1 ZINC000096703752 600514177 /nfs/dbraw/zinc/51/41/77/600514177.db2.gz UHDCQCXJSOOMMW-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccn3)cc(Cl)c2O1 ZINC000736824543 600576734 /nfs/dbraw/zinc/57/67/34/600576734.db2.gz BLBGZEFUYINKDD-MRVPVSSYSA-N -2 0 368.798 2.557 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)cc1C(=O)[O-] ZINC000324723074 600658890 /nfs/dbraw/zinc/65/88/90/600658890.db2.gz UVEDBWVENOIKFR-UHFFFAOYSA-N -2 0 370.452 2.948 20 0 FFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000826113267 600669025 /nfs/dbraw/zinc/66/90/25/600669025.db2.gz GPPGERQVANFIFE-KRWDZBQOSA-N -2 0 351.424 2.585 20 0 FFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833324172 600672778 /nfs/dbraw/zinc/67/27/78/600672778.db2.gz JPIGRKKKQGWRIS-UHFFFAOYSA-N -3 0 361.784 2.599 20 0 FFADRL COC(=O)Nc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1F ZINC000727360560 600680022 /nfs/dbraw/zinc/68/00/22/600680022.db2.gz HNYWKMSSQQXSQP-UHFFFAOYSA-N -2 0 374.371 2.565 20 0 FFADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)nc21 ZINC000832925655 600827790 /nfs/dbraw/zinc/82/77/90/600827790.db2.gz RNPFTGCJBPHLSS-UHFFFAOYSA-N -2 0 365.436 2.751 20 0 FFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c1C(=O)[O-] ZINC000832923156 600868475 /nfs/dbraw/zinc/86/84/75/600868475.db2.gz LPYRBOXSFBNXPN-UHFFFAOYSA-N -2 0 363.317 2.544 20 0 FFADRL O=C([O-])CCCc1nnc(NC(=O)c2ccc3[n-]c(=S)oc3c2)s1 ZINC000833232487 600966307 /nfs/dbraw/zinc/96/63/07/600966307.db2.gz WKBLOLQFNOJMET-UHFFFAOYSA-N -2 0 364.408 2.628 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000832899079 600974839 /nfs/dbraw/zinc/97/48/39/600974839.db2.gz CMONCXRKPOAKEM-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC000832868536 600988172 /nfs/dbraw/zinc/98/81/72/600988172.db2.gz OEDKCZXOPUWGJP-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)cc1OC ZINC000831972067 601203203 /nfs/dbraw/zinc/20/32/03/601203203.db2.gz DIGXIKLALWLYSF-UHFFFAOYSA-N -2 0 357.409 2.573 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1C(=O)[O-] ZINC000749143946 601223902 /nfs/dbraw/zinc/22/39/02/601223902.db2.gz CNMZKBBFVUVCRA-UHFFFAOYSA-N -3 0 367.354 2.640 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1F ZINC000749142358 601223986 /nfs/dbraw/zinc/22/39/86/601223986.db2.gz JOJSANJQXKGGBD-UHFFFAOYSA-N -3 0 367.354 2.640 20 0 FFADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000057123470 601325696 /nfs/dbraw/zinc/32/56/96/601325696.db2.gz ASORHDLVUZAGJQ-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000832952997 601326463 /nfs/dbraw/zinc/32/64/63/601326463.db2.gz SXEFYWGMDSBHOD-UITAMQMPSA-N -2 0 361.375 2.592 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1C(=O)[O-] ZINC000743266199 601334318 /nfs/dbraw/zinc/33/43/18/601334318.db2.gz KXGISDRTGFRTQK-UHFFFAOYSA-N -2 0 371.827 2.857 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)c1C ZINC000392334292 601361113 /nfs/dbraw/zinc/36/11/13/601361113.db2.gz USGJLWIIRGLCIO-UHFFFAOYSA-N -2 0 351.428 2.823 20 0 FFADRL Cc1nc(NC(=O)c2ccc(Br)cc2[O-])sc1C(=O)[O-] ZINC000833002003 601383298 /nfs/dbraw/zinc/38/32/98/601383298.db2.gz HWBSPRAIXSWFMQ-UHFFFAOYSA-N -2 0 357.185 2.870 20 0 FFADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc(NC(=O)[O-])cc3)n2)cc1 ZINC000832138267 601387964 /nfs/dbraw/zinc/38/79/64/601387964.db2.gz FMKIRDMHPOABKB-UHFFFAOYSA-N -2 0 368.349 2.929 20 0 FFADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000826528119 601502910 /nfs/dbraw/zinc/50/29/10/601502910.db2.gz JPKOYINVXIZCGT-TWGQIWQCSA-N -2 0 367.452 2.734 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)ccc1C(=O)[O-] ZINC000832904564 601503777 /nfs/dbraw/zinc/50/37/77/601503777.db2.gz SWCZDCUKQMPCNJ-UHFFFAOYSA-N -2 0 355.441 2.643 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000833318457 601576573 /nfs/dbraw/zinc/57/65/73/601576573.db2.gz PMTAOAMXZFBMRB-UHFFFAOYSA-N -2 0 362.338 2.980 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)n2)c1 ZINC000827129230 601756641 /nfs/dbraw/zinc/75/66/41/601756641.db2.gz KHIJIUNJEQZOSP-CQSZACIVSA-N -2 0 372.425 2.574 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1 ZINC000391650412 601772288 /nfs/dbraw/zinc/77/22/88/601772288.db2.gz FCLKATKIOLWFNC-UHFFFAOYSA-N -2 0 370.452 2.750 20 0 FFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000833345612 601831450 /nfs/dbraw/zinc/83/14/50/601831450.db2.gz FEHXXDPBRCHEQP-UHFFFAOYSA-N -2 0 367.452 2.632 20 0 FFADRL Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])cc21 ZINC000833056272 601838163 /nfs/dbraw/zinc/83/81/63/601838163.db2.gz MPWXTVDDZWACNV-UHFFFAOYSA-N -2 0 365.798 2.726 20 0 FFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000829881617 601854716 /nfs/dbraw/zinc/85/47/16/601854716.db2.gz POLMRTINMWCVPB-UHFFFAOYSA-N -2 0 367.354 2.501 20 0 FFADRL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000827950166 601855673 /nfs/dbraw/zinc/85/56/73/601855673.db2.gz PGSVRRLGLUFOJC-NSHDSACASA-N -2 0 361.379 2.584 20 0 FFADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3ccccc3Cl)sc2C1 ZINC000740530705 601977449 /nfs/dbraw/zinc/97/74/49/601977449.db2.gz XFXKDAIEJTWBTF-UHFFFAOYSA-N -2 0 373.843 2.633 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1C(=O)[O-] ZINC000832874527 602116013 /nfs/dbraw/zinc/11/60/13/602116013.db2.gz LWRNNCYNQSSHMX-UHFFFAOYSA-N -3 0 355.393 2.562 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000833344305 602307217 /nfs/dbraw/zinc/30/72/17/602307217.db2.gz KNRTXESWIOSCRH-UHFFFAOYSA-N -2 0 367.433 2.766 20 0 FFADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000830049591 602309085 /nfs/dbraw/zinc/30/90/85/602309085.db2.gz IYULOLWTSKVKHH-UHFFFAOYSA-N -2 0 371.798 2.943 20 0 FFADRL Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000740146514 602646416 /nfs/dbraw/zinc/64/64/16/602646416.db2.gz HKNUAPLRJPKGEB-UHFFFAOYSA-N -2 0 350.352 2.584 20 0 FFADRL CN(C[C@@H]1CCCN(C(=O)c2cccc(Br)c2[O-])C1)C(=O)[O-] ZINC000739638452 602684986 /nfs/dbraw/zinc/68/49/86/602684986.db2.gz QACMFGCIGKXZSC-JTQLQIEISA-N -2 0 371.231 2.617 20 0 FFADRL COc1ccc(NC(=O)[O-])c(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000739919024 603058640 /nfs/dbraw/zinc/05/86/40/603058640.db2.gz ZPZBQFYZAJEDKJ-UHFFFAOYSA-N -2 0 354.322 2.686 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(CNC(=O)[O-])c2)c(F)cc1F ZINC000830138316 603878062 /nfs/dbraw/zinc/87/80/62/603878062.db2.gz RNWCREZILQONGR-UHFFFAOYSA-N -2 0 356.350 2.842 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)nc1C ZINC000833682952 604509805 /nfs/dbraw/zinc/50/98/05/604509805.db2.gz FNFKWWBAMRWBPF-UHFFFAOYSA-N -2 0 369.468 2.579 20 0 FFADRL CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833490577 604687224 /nfs/dbraw/zinc/68/72/24/604687224.db2.gz IOASDQYJDPERIC-UHFFFAOYSA-N -2 0 350.396 2.615 20 0 FFADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC000833402005 604757835 /nfs/dbraw/zinc/75/78/35/604757835.db2.gz YALHLBRDBXWQDN-UHFFFAOYSA-N -2 0 366.420 2.722 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c(C(=O)[O-])[nH]1 ZINC000832899536 604768358 /nfs/dbraw/zinc/76/83/58/604768358.db2.gz NVESBKDDPAJKAZ-UHFFFAOYSA-N -2 0 362.411 2.753 20 0 FFADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000326056166 605006908 /nfs/dbraw/zinc/00/69/08/605006908.db2.gz SYHHWSDRNIDORL-UHFFFAOYSA-N -2 0 365.436 2.696 20 0 FFADRL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833602679 605118834 /nfs/dbraw/zinc/11/88/34/605118834.db2.gz KJIAPOXHGSFQNT-UWVGGRQHSA-N -2 0 359.831 2.669 20 0 FFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000833741971 605127407 /nfs/dbraw/zinc/12/74/07/605127407.db2.gz YBJJGMOEEQZZEH-UHFFFAOYSA-N -2 0 365.388 2.662 20 0 FFADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833404271 605149106 /nfs/dbraw/zinc/14/91/06/605149106.db2.gz ZMAKKZBIBIZVIV-UHFFFAOYSA-N -2 0 370.386 2.936 20 0 FFADRL Cc1nc(C)c([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])s1 ZINC000833755084 605152904 /nfs/dbraw/zinc/15/29/04/605152904.db2.gz YXMWKHZSMDBYND-UHFFFAOYSA-N -2 0 363.420 2.807 20 0 FFADRL O=C([O-])N1CCC2(CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)C2)CC1 ZINC000834091610 605905800 /nfs/dbraw/zinc/90/58/00/605905800.db2.gz WKDQEUGQCIRCBU-UHFFFAOYSA-N -2 0 361.423 2.723 20 0 FFADRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000834151917 606036903 /nfs/dbraw/zinc/03/69/03/606036903.db2.gz ZABOBCLVLHRTGH-CQSZACIVSA-N -2 0 362.769 2.856 20 0 FFADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000166001691 728975301 /nfs/dbraw/zinc/97/53/01/728975301.db2.gz FIXGKYPUXXMVCV-UHFFFAOYSA-N -2 0 354.815 2.861 20 0 FFADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc2ccccc2c(C(=O)[O-])c1 ZINC000187034764 729371714 /nfs/dbraw/zinc/37/17/14/729371714.db2.gz XOGNPYLOQLDXJF-UHFFFAOYSA-N -2 0 359.407 2.689 20 0 FFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC000187747402 729380767 /nfs/dbraw/zinc/38/07/67/729380767.db2.gz FZHHQBKLRDJJNG-SNVBAGLBSA-N -2 0 367.402 2.801 20 0 FFADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000222852290 729546543 /nfs/dbraw/zinc/54/65/43/729546543.db2.gz QIGFZDLAXGBFGQ-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000325827464 729759520 /nfs/dbraw/zinc/75/95/20/729759520.db2.gz OOZSNAOSJHRTAY-UHFFFAOYSA-N -2 0 357.334 2.610 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000326484344 729790221 /nfs/dbraw/zinc/79/02/21/729790221.db2.gz WOFZGZWFRIFGNR-UHFFFAOYSA-N -2 0 354.315 2.541 20 0 FFADRL COc1cc(C)c(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1OC ZINC000507551532 729926548 /nfs/dbraw/zinc/92/65/48/729926548.db2.gz OBDJXZZGZOSIHX-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL CC(C)C[C@H](CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CC(=O)[O-] ZINC000659411895 731972816 /nfs/dbraw/zinc/97/28/16/731972816.db2.gz JQTJALVQCKSQNP-ZOBORPQBSA-N -2 0 356.463 2.558 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)ccc1Cl ZINC000782261402 738703871 /nfs/dbraw/zinc/70/38/71/738703871.db2.gz KRAYOZJSTHRHDV-UHFFFAOYSA-N -2 0 355.755 2.568 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1C(C)=O ZINC000783878111 738845793 /nfs/dbraw/zinc/84/57/93/738845793.db2.gz ZMYGEURVOGJCBO-UHFFFAOYSA-N -2 0 367.354 2.536 20 0 FFADRL Cc1cccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c1C(=O)[O-] ZINC000735027238 734925855 /nfs/dbraw/zinc/92/58/55/734925855.db2.gz HBWUBOQCDXOEFF-UHFFFAOYSA-N -2 0 365.798 2.795 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc(C(=O)[O-])c1F ZINC000753960021 736110630 /nfs/dbraw/zinc/11/06/30/736110630.db2.gz BJDBEBTZFGVJFB-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000917864522 737780375 /nfs/dbraw/zinc/78/03/75/737780375.db2.gz UKTBEUROQRUDHW-UHFFFAOYSA-N -2 0 369.761 2.626 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)ccc1F ZINC000776748500 738228970 /nfs/dbraw/zinc/22/89/70/738228970.db2.gz LNJBKTBFNHUCGZ-UHFFFAOYSA-N -2 0 362.338 2.980 20 0 FFADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)nn1C ZINC000817354574 742127869 /nfs/dbraw/zinc/12/78/69/742127869.db2.gz NARPZNZMPLCLGT-UHFFFAOYSA-N -2 0 371.484 2.841 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3c(s2)CCC3)ccc1Cl ZINC000315270568 845794954 /nfs/dbraw/zinc/79/49/54/845794954.db2.gz DRFQHMXFLMNYFN-UHFFFAOYSA-N -2 0 358.828 2.784 20 0 FFADRL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000392031714 845850003 /nfs/dbraw/zinc/85/00/03/845850003.db2.gz HUPYGPQJUVIRIW-UHFFFAOYSA-N -2 0 354.359 2.507 20 0 FFADRL O=C([O-])c1ccccc1CNC(=O)c1cccc(Br)c1[O-] ZINC001602471886 971204570 /nfs/dbraw/zinc/20/45/70/971204570.db2.gz OCJILRADLXMCIN-UHFFFAOYSA-N -2 0 350.168 2.783 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cnc1Cl ZINC000326359458 971286207 /nfs/dbraw/zinc/28/62/07/971286207.db2.gz GXWUVMCGTTZUBT-UHFFFAOYSA-N -2 0 366.826 2.960 20 0 FFADRL O=C([O-])Cc1ccccc1NC(=O)NCCc1c(F)cc(O)cc1F ZINC001595136247 952054326 /nfs/dbraw/zinc/05/43/26/952054326.db2.gz FZXNGDQARGBDCB-UHFFFAOYSA-N -2 0 350.321 2.662 20 0 FFADRL CC(C)c1ccc([N-]S(=O)(=O)c2ncn(C)c2Cl)c(C(=O)[O-])c1 ZINC000055600649 957546598 /nfs/dbraw/zinc/54/65/98/957546598.db2.gz QTIYXYLJALJDKH-UHFFFAOYSA-N -2 0 357.819 2.696 20 0 FFADRL Cc1cncc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000232072876 960241231 /nfs/dbraw/zinc/24/12/31/960241231.db2.gz SJYMWJCDMJDUMO-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL CC=C(C)Nc1cc2c(cccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC001210794596 962356264 /nfs/dbraw/zinc/35/62/64/962356264.db2.gz LWKALQBTWFPKLA-YCRREMRBSA-N -2 0 357.409 2.669 20 0 FFADRL COc1nccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1Br ZINC001176237462 1013656238 /nfs/dbraw/zinc/65/62/38/1013656238.db2.gz VJGXVQZJBMYMNA-UHFFFAOYSA-N -2 0 367.155 2.993 20 0 FFADRL CC1(C)C(=O)NCc2c(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cccc21 ZINC001176244426 1013658747 /nfs/dbraw/zinc/65/87/47/1013658747.db2.gz LGTXRHURHHWTPH-UHFFFAOYSA-N -2 0 354.362 2.734 20 0 FFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1F ZINC000398221764 973085539 /nfs/dbraw/zinc/08/55/39/973085539.db2.gz WIDRWBCBNYKDDF-SECBINFHSA-N -2 0 357.737 2.643 20 0 FFADRL CC(C)c1ccc(NC(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001591965725 976559889 /nfs/dbraw/zinc/55/98/89/976559889.db2.gz OPWBSXHJWXXFCM-SHBDPFAUSA-N -2 0 360.410 2.839 20 0 FFADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)s1 ZINC001595122168 979502468 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2.898 20 0 FFADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nc1C ZINC001597126118 986836730 /nfs/dbraw/zinc/83/67/30/986836730.db2.gz VNPJTVNCGGLCAS-UHFFFAOYSA-N -2 0 350.396 2.596 20 0 FFADRL CCSCc1ccnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001597267433 987302466 /nfs/dbraw/zinc/30/24/66/987302466.db2.gz JFZLLJTWJIYWIP-UHFFFAOYSA-N -2 0 352.437 2.834 20 0 FFADRL CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC001597464421 987897122 /nfs/dbraw/zinc/89/71/22/987897122.db2.gz KPZKRKWCYUMKHE-LBPRGKRZSA-N -2 0 360.332 2.589 20 0 FFADRL CCc1ccc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c(C(=O)[O-])c1 ZINC001597557130 988295411 /nfs/dbraw/zinc/29/54/11/988295411.db2.gz YLGIQNRXMJJIAB-UHFFFAOYSA-N -2 0 363.391 2.755 20 0 FFADRL CSc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1C(=O)[O-] ZINC001599817560 988453564 /nfs/dbraw/zinc/45/35/64/988453564.db2.gz IZAZTOKUMHQNOK-QWHCGFSZSA-N -2 0 364.423 2.681 20 0 FFADRL CCc1nc([N-]S(=O)(=O)Cc2cccc(Cl)c2)sc1C(=O)[O-] ZINC001597685158 988828482 /nfs/dbraw/zinc/82/84/82/988828482.db2.gz CWJDNUIJSFTXEH-UHFFFAOYSA-N -2 0 360.844 2.999 20 0 FFADRL Cc1cc(C(=O)NC2(c3ccc(F)cc3)CCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000673649193 989112823 /nfs/dbraw/zinc/11/28/23/989112823.db2.gz VQIAWVMZOGTRAV-UHFFFAOYSA-N -2 0 368.368 2.693 20 0 FFADRL CC(C)(C)OCc1cccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])c1 ZINC001590399111 989933070 /nfs/dbraw/zinc/93/30/70/989933070.db2.gz WDEDXNVIMIBTFT-UHFFFAOYSA-N -2 0 364.423 2.896 20 0 FFADRL CC(C)(C)c1ccccc1C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001590499342 990111917 /nfs/dbraw/zinc/11/19/17/990111917.db2.gz SLFPEMGAMUUSRI-ZYWJMJLXSA-N -2 0 359.422 2.622 20 0 FFADRL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001590957588 991041295 /nfs/dbraw/zinc/04/12/95/991041295.db2.gz WFYWVDFAUQPGHM-SECBINFHSA-N -2 0 362.151 2.582 20 0 FFADRL CC(C)C[C@H](CNC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)CC(=O)[O-] ZINC001591448184 992549834 /nfs/dbraw/zinc/54/98/34/992549834.db2.gz CJCNSFWDVCBNHU-JTQLQIEISA-N -2 0 371.459 2.764 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC)cc1C ZINC001599616491 994021304 /nfs/dbraw/zinc/02/13/04/994021304.db2.gz BPWMXYXIJYNTCV-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)c(OC)c1C(=O)[O-] ZINC001599617735 994039600 /nfs/dbraw/zinc/03/96/00/994039600.db2.gz WUJXUKZLXOUDKC-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C(C)C)s2)cc1 ZINC001599617910 994042281 /nfs/dbraw/zinc/04/22/81/994042281.db2.gz MFXRWTFMDKXARE-UHFFFAOYSA-N -2 0 356.425 2.774 20 0 FFADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001593713269 996219328 /nfs/dbraw/zinc/21/93/28/996219328.db2.gz FSCFNKFMXXNHRB-TZYSRNFLSA-N -2 0 365.451 2.619 20 0 FFADRL CC1(C)CCC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001593885478 996722718 /nfs/dbraw/zinc/72/27/18/996722718.db2.gz LTSMPPJKAIKPRV-ZDUSSCGKSA-N -2 0 367.467 2.937 20 0 FFADRL COCc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1 ZINC001599296221 997147969 /nfs/dbraw/zinc/14/79/69/997147969.db2.gz GKHNSJJCYAWNJJ-UHFFFAOYSA-N -2 0 370.814 2.689 20 0 FFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001599426534 997686280 /nfs/dbraw/zinc/68/62/80/997686280.db2.gz ZAEJWJYJLBQRIE-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL C[C@]1(NC(=O)c2cccc(Br)c2[O-])CCCC[C@H]1C(=O)[O-] ZINC001594055371 997782530 /nfs/dbraw/zinc/78/25/30/997782530.db2.gz ALFMFUJVSPWTNT-BONVTDFDSA-N -2 0 356.216 2.918 20 0 FFADRL CC1=C(C)C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CC1 ZINC001594109983 998201543 /nfs/dbraw/zinc/20/15/43/998201543.db2.gz NKGJIJQHWHYPGQ-NSHDSACASA-N -2 0 371.842 2.980 20 0 FFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([C@@H](C)C(=O)[O-])c2)cs1 ZINC001598955387 998231317 /nfs/dbraw/zinc/23/13/17/998231317.db2.gz XNGIMVWASMDVRN-SECBINFHSA-N -2 0 369.420 2.524 20 0 FFADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC001599377673 998514812 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2.536 20 0 FFADRL COC(=O)c1c(C)scc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185877708 1003112815 /nfs/dbraw/zinc/11/28/15/1003112815.db2.gz SLWWRVRJCJVPOI-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cn1 ZINC001196068691 1003659936 /nfs/dbraw/zinc/65/99/36/1003659936.db2.gz YPVMLYREWFHHTL-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL COC(=O)c1ccc(O)cc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC001196885847 1003989401 /nfs/dbraw/zinc/98/94/01/1003989401.db2.gz OGGUCFQRONLHFG-UHFFFAOYSA-N -2 0 365.407 2.605 20 0 FFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)n2)cc1 ZINC001192686173 1004237790 /nfs/dbraw/zinc/23/77/90/1004237790.db2.gz ZEVSANYJJAZUQW-UHFFFAOYSA-N -2 0 362.407 2.613 20 0 FFADRL Cc1cc(F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193972900 1004622619 /nfs/dbraw/zinc/62/26/19/1004622619.db2.gz LMVOTLNISNTPMR-UHFFFAOYSA-N -2 0 362.741 2.821 20 0 FFADRL Cc1ccc(Br)nc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198746693 1004721190 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2.686 20 0 FFADRL C[C@@H](O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001187579100 1006162047 /nfs/dbraw/zinc/16/20/47/1006162047.db2.gz NHKRTEMYRHQPBU-SECBINFHSA-N -2 0 355.799 2.892 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nsc3ncccc23)ccc1Cl ZINC001188279865 1006500365 /nfs/dbraw/zinc/50/03/65/1006500365.db2.gz SWCRXPYJDVSKPA-UHFFFAOYSA-N -2 0 369.811 2.844 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)ccc1Cl ZINC001188282788 1006503560 /nfs/dbraw/zinc/50/35/60/1006503560.db2.gz WIWDKASADHZYNE-UHFFFAOYSA-N -2 0 369.830 2.836 20 0 FFADRL CN(Cc1cnc(Cl)s1)C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189873012 1007318240 /nfs/dbraw/zinc/31/82/40/1007318240.db2.gz ZHVJALKZILDDGM-UHFFFAOYSA-N -2 0 362.731 2.540 20 0 FFADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCC(c2ccccn2)CC1 ZINC001189877168 1007319934 /nfs/dbraw/zinc/31/99/34/1007319934.db2.gz HOAGCSMXEPMNEC-UHFFFAOYSA-N -2 0 362.322 2.573 20 0 FFADRL O=S(=O)([O-])c1cc2cc(NC3=CCCC3)ccc2c(S(=O)(=O)[O-])c1 ZINC001173999634 1013040924 /nfs/dbraw/zinc/04/09/24/1013040924.db2.gz MITXQJNTAMKONV-UHFFFAOYSA-N -2 0 369.420 2.813 20 0 FFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c[nH]1 ZINC000680489324 1018012145 /nfs/dbraw/zinc/01/21/45/1018012145.db2.gz SFULKPMVGNZLBE-NSHDSACASA-N -2 0 351.428 2.597 20 0 FFADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000680525150 1018031992 /nfs/dbraw/zinc/03/19/92/1018031992.db2.gz OBIVEODYNMCNKO-UHFFFAOYSA-N -2 0 357.819 2.925 20 0 FFADRL Cc1cc(-c2ncco2)ccc1NC(=O)c1cnc2nc(=O)[n-]c([O-])c2c1 ZINC001141410701 1026211401 /nfs/dbraw/zinc/21/14/01/1026211401.db2.gz GGSXNLRNGRZQMK-UHFFFAOYSA-N -2 0 363.333 2.652 20 0 FFADRL CC(=O)c1ccc([O-])c(NC(=O)c2ncc(Br)cc2[O-])c1 ZINC001152947315 1027724536 /nfs/dbraw/zinc/72/45/36/1027724536.db2.gz LXPNDECVRRCLOL-UHFFFAOYSA-N -2 0 351.156 2.710 20 0 FFADRL O=P([O-])([O-])OCCNC(F)(F)c1cc2ccccc2nc1Cl ZINC001157791769 1029665519 /nfs/dbraw/zinc/66/55/19/1029665519.db2.gz UCSHXYCNGJAPJZ-UHFFFAOYSA-N -2 0 352.661 2.636 20 0 FFADRL Cc1nc(-c2ccccc2Cl)nc(NCCOP(=O)([O-])[O-])c1C ZINC001157795845 1029666420 /nfs/dbraw/zinc/66/64/20/1029666420.db2.gz NZOCGCBOTVUJRW-UHFFFAOYSA-N -2 0 357.734 2.935 20 0 FFADRL C[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001234337492 1036989582 /nfs/dbraw/zinc/98/95/82/1036989582.db2.gz IGFFBXRLJMQFFN-LLVKDONJSA-N -2 0 373.342 2.792 20 0 FFADRL O=c1cc(-c2cc(F)ccc2F)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245929815 1039150401 /nfs/dbraw/zinc/15/04/01/1039150401.db2.gz JNCHNOHRSVCFPA-UHFFFAOYSA-N -2 0 352.318 2.770 20 0 FFADRL Cc1cc(C)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259212214 1039803905 /nfs/dbraw/zinc/80/39/05/1039803905.db2.gz JESTVDORQOSEGO-UHFFFAOYSA-N -2 0 358.778 2.990 20 0 FFADRL CC(C)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259214061 1039808753 /nfs/dbraw/zinc/80/87/53/1039808753.db2.gz ADKZCXCOOMFGBD-UHFFFAOYSA-N -2 0 373.793 2.892 20 0 FFADRL CCC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC001260215941 1040466457 /nfs/dbraw/zinc/46/64/57/1040466457.db2.gz IWKHWWCJZRMMGU-UHFFFAOYSA-N -2 0 351.355 2.917 20 0 FFADRL O=S(=O)([N-]c1cnc2cnccn12)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260871083 1040860286 /nfs/dbraw/zinc/86/02/86/1040860286.db2.gz HEFZJBLWLSBDBF-UHFFFAOYSA-N -2 0 359.194 2.543 20 0 FFADRL NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875179 1040864073 /nfs/dbraw/zinc/86/40/73/1040864073.db2.gz MEXWYVNFFRICQD-UHFFFAOYSA-N -2 0 361.206 2.599 20 0 FFADRL COc1nc(C)ccc1-c1noc(-c2ccccc2OP(=O)([O-])[O-])n1 ZINC001216745720 1042111528 /nfs/dbraw/zinc/11/15/28/1042111528.db2.gz FTGREVITQPGBFT-UHFFFAOYSA-N -2 0 363.266 2.587 20 0 FFADRL O=S(=O)(c1ccc(-c2cc([S-])cc([S-])c2)cc1)N1CCOCC1 ZINC001240172400 1044246710 /nfs/dbraw/zinc/24/67/10/1044246710.db2.gz QKOWEFGCLVGOJR-UHFFFAOYSA-N -2 0 367.517 2.952 20 0 FFADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3nccs3)cn2)c1 ZINC001241358245 1044505287 /nfs/dbraw/zinc/50/52/87/1044505287.db2.gz JZCSLKYNTARNEI-UHFFFAOYSA-N -2 0 361.404 2.704 20 0 FFADRL COc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1-n1cnc(C)c1 ZINC001242160667 1044691318 /nfs/dbraw/zinc/69/13/18/1044691318.db2.gz HSWIWURPOIUAFZ-UHFFFAOYSA-N -2 0 353.334 2.648 20 0 FFADRL O=S(=O)([N-]c1nccs1)c1ccc(-c2cc(F)cc(F)c2[O-])nc1 ZINC001243501614 1044938993 /nfs/dbraw/zinc/93/89/93/1044938993.db2.gz LKFGFLOASCNDAL-UHFFFAOYSA-N -2 0 369.374 2.990 20 0 FFADRL O=C(c1cccc(Cl)c1[O-])N1CCCc2c(-c3nn[nH]n3)cccc21 ZINC001582709077 1079103121 /nfs/dbraw/zinc/10/31/21/1079103121.db2.gz DNJDAXYINWSDEO-UHFFFAOYSA-N -2 0 355.785 2.819 20 0 FFADRL CC(C)C[C@@H](NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C(=O)[O-] ZINC001588885929 1080234307 /nfs/dbraw/zinc/23/43/07/1080234307.db2.gz CGEIOEJLSORXBK-OAHLLOKOSA-N -2 0 359.426 2.930 20 0 FFADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2sc(C)cc2C(=O)[O-])ccc1C ZINC001589182821 1080400858 /nfs/dbraw/zinc/40/08/58/1080400858.db2.gz ZUJZYCSAQPJFHU-UHFFFAOYSA-N -2 0 368.436 2.822 20 0 FFADRL C[C@@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cn(C)nc2C(C)(C)C)c1 ZINC001589539578 1080592640 /nfs/dbraw/zinc/59/26/40/1080592640.db2.gz JECQFLIWUSJOCJ-LLVKDONJSA-N -2 0 365.455 2.707 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])c1C ZINC000036833360 506419351 /nfs/dbraw/zinc/41/93/51/506419351.db2.gz MIESXPZPQMVCGJ-UHFFFAOYSA-N -2 0 363.391 2.809 20 0 FFADRL Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000054795451 506622194 /nfs/dbraw/zinc/62/21/94/506622194.db2.gz OKEYAAMSAQJKLD-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)sc1C(=O)[O-] ZINC000042791763 506666717 /nfs/dbraw/zinc/66/67/17/506666717.db2.gz WHEQQEQXXWUSBC-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000044242866 506822452 /nfs/dbraw/zinc/82/24/52/506822452.db2.gz FNBFUJPLEFTPPS-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000013358851 506939675 /nfs/dbraw/zinc/93/96/75/506939675.db2.gz TVQSLYYSYCARFL-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)sc1C(=O)[O-] ZINC000045946684 507050963 /nfs/dbraw/zinc/05/09/63/507050963.db2.gz AJSIAMUACCHDJS-UHFFFAOYSA-N -2 0 356.381 2.772 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000047312898 507304997 /nfs/dbraw/zinc/30/49/97/507304997.db2.gz ZNIMOVZSUACOEH-UHFFFAOYSA-N -2 0 350.352 2.711 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)c(C)c1C(=O)[O-] ZINC000156346710 508405655 /nfs/dbraw/zinc/40/56/55/508405655.db2.gz RLQLQDMKKCXVOW-UHFFFAOYSA-N -2 0 351.428 2.655 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc(C(=O)[O-])c1C ZINC000120753309 509058539 /nfs/dbraw/zinc/05/85/39/509058539.db2.gz CSLBNQJZSVJUIT-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184219886 510200351 /nfs/dbraw/zinc/20/03/51/510200351.db2.gz ZEPMQHPQJLVSKF-UHFFFAOYSA-N -2 0 367.789 2.755 20 0 FFADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1)C(=O)[O-] ZINC000184902376 510572837 /nfs/dbraw/zinc/57/28/37/510572837.db2.gz HIZMKFCELJRMMP-AWEZNQCLSA-N -2 0 365.455 2.918 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cccc(C)c2F)c(C(=O)[O-])cc1OC ZINC000313227520 511789588 /nfs/dbraw/zinc/78/95/88/511789588.db2.gz OVJYGBWVEQJRFK-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1Cl ZINC000319829541 511811001 /nfs/dbraw/zinc/81/10/01/511811001.db2.gz QWTNEZLATQRVOH-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C ZINC000320050105 511812891 /nfs/dbraw/zinc/81/28/91/511812891.db2.gz LIBMUKYNSCWGNR-UHFFFAOYSA-N -2 0 354.409 2.514 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C(=O)[O-])c1 ZINC000322827883 511827099 /nfs/dbraw/zinc/82/70/99/511827099.db2.gz ZVWKEYOBAWKHCT-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1C ZINC000324550551 511837677 /nfs/dbraw/zinc/83/76/77/511837677.db2.gz FNCNFMGUSFWOAF-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1F ZINC000326399286 511856856 /nfs/dbraw/zinc/85/68/56/511856856.db2.gz LCMKPSCANGCFAV-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccnc2OC(C)C)cc1C(=O)[O-] ZINC000326406560 511857100 /nfs/dbraw/zinc/85/71/00/511857100.db2.gz OUKFIUVWCAUOPW-UHFFFAOYSA-N -2 0 364.423 2.985 20 0 FFADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000274714480 511919679 /nfs/dbraw/zinc/91/96/79/511919679.db2.gz BMBUBXNDNZBBAH-UGSOOPFHSA-N -2 0 365.451 2.732 20 0 FFADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc1 ZINC000374595989 512909331 /nfs/dbraw/zinc/90/93/31/512909331.db2.gz QHQDREIVECRHIG-LBPRGKRZSA-N -2 0 363.439 2.598 20 0 FFADRL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000392028033 512919816 /nfs/dbraw/zinc/91/98/16/512919816.db2.gz PJWKIDLUBGZRCD-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL O=C([O-])CCCCCNC(=O)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000417773016 513201757 /nfs/dbraw/zinc/20/17/57/513201757.db2.gz ZLWVGKRKLBQMSQ-UHFFFAOYSA-N -2 0 366.468 2.878 20 0 FFADRL COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C ZINC000447268976 513431154 /nfs/dbraw/zinc/43/11/54/513431154.db2.gz YWHXDHKXKLIBJG-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000435732012 513671218 /nfs/dbraw/zinc/67/12/18/513671218.db2.gz NVHUGIREBIVSQO-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)ccc1F ZINC000436660798 513933582 /nfs/dbraw/zinc/93/35/82/513933582.db2.gz BFOUGWXQVMENEF-UHFFFAOYSA-N -2 0 367.354 2.541 20 0 FFADRL O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)c1ccc(F)cc1[O-] ZINC000436904335 514027816 /nfs/dbraw/zinc/02/78/16/514027816.db2.gz LBZQMJQXOJDXNN-UHFFFAOYSA-N -2 0 365.336 2.926 20 0 FFADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436922491 514035435 /nfs/dbraw/zinc/03/54/35/514035435.db2.gz YMIVRUPYASKKQA-UHFFFAOYSA-N -2 0 373.789 2.936 20 0 FFADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1C ZINC000436983032 514062470 /nfs/dbraw/zinc/06/24/70/514062470.db2.gz ZJIBDNBNJCYHJJ-SNVBAGLBSA-N -2 0 367.427 2.676 20 0 FFADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438793893 514443825 /nfs/dbraw/zinc/44/38/25/514443825.db2.gz TUPAWCXSGMIELV-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL CSCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000433510594 514506743 /nfs/dbraw/zinc/50/67/43/514506743.db2.gz ODMYNRLIPWURLM-UHFFFAOYSA-N -2 0 353.421 2.754 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(O)c1 ZINC000484492534 514666831 /nfs/dbraw/zinc/66/68/31/514666831.db2.gz AKJDJZQYZDQQBB-UHFFFAOYSA-N -2 0 350.377 2.501 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc(C(=O)[O-])c1C ZINC000471114226 514758022 /nfs/dbraw/zinc/75/80/22/514758022.db2.gz RUKZEYRSHNNPHA-UHFFFAOYSA-N -2 0 363.391 2.809 20 0 FFADRL CCCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)c(C(=O)[O-])c1 ZINC000502920078 514842154 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COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000328058376 511884815 /nfs/dbraw/zinc/88/48/15/511884815.db2.gz IJNIMFDBTDKLKF-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC000392664087 512927223 /nfs/dbraw/zinc/92/72/23/512927223.db2.gz UAAJRPJSOIKEER-UHFFFAOYSA-N -3 0 373.745 2.676 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)nn1C(C)C ZINC000421173689 513135147 /nfs/dbraw/zinc/13/51/47/513135147.db2.gz MFHMEMOWZCOBSK-UHFFFAOYSA-N -2 0 351.428 2.590 20 0 FFADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000447114629 513401351 /nfs/dbraw/zinc/40/13/51/513401351.db2.gz SORWNTNDHYKRTM-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000451069982 513497408 /nfs/dbraw/zinc/49/74/08/513497408.db2.gz MXJDUARKWBTCGT-UHFFFAOYSA-N -2 0 368.386 2.815 20 0 FFADRL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2O1 ZINC000442853955 513797494 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FFADRL CC(=O)c1ccsc1[N-]S(=O)(=O)Cc1ccccc1CC(=O)[O-] ZINC000427334984 514186916 /nfs/dbraw/zinc/18/69/16/514186916.db2.gz LQQGEFLJYNQGNS-UHFFFAOYSA-N -2 0 353.421 2.520 20 0 FFADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n[nH]1 ZINC000444424114 514225845 /nfs/dbraw/zinc/22/58/45/514225845.db2.gz VCTSHDLEYISNDY-UHFFFAOYSA-N -2 0 363.420 2.946 20 0 FFADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000438811713 514447005 /nfs/dbraw/zinc/44/70/05/514447005.db2.gz MJOYJOHVPWMKCO-UHFFFAOYSA-N -2 0 369.830 2.927 20 0 FFADRL CCC(CC)(CNC(=O)N=c1nc(-c2ccsc2)[n-]s1)C(=O)[O-] ZINC000424383111 514467723 /nfs/dbraw/zinc/46/77/23/514467723.db2.gz OZDKPRLYVCLVEE-UHFFFAOYSA-N -2 0 354.457 2.701 20 0 FFADRL COc1c(C)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1C ZINC000433503667 514506079 /nfs/dbraw/zinc/50/60/79/514506079.db2.gz WKXICKYRMGKECH-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000471121860 514761631 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/nfs/dbraw/zinc/50/09/97/509500997.db2.gz MIWOWWUKBLLRSR-UHFFFAOYSA-N -2 0 352.437 2.537 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)cc1C(=O)[O-] ZINC000164638773 509520449 /nfs/dbraw/zinc/52/04/49/509520449.db2.gz GGDWWPWYXLQZIA-UHFFFAOYSA-N -2 0 351.428 2.737 20 0 FFADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000180350151 509882367 /nfs/dbraw/zinc/88/23/67/509882367.db2.gz QOFLRSZGSAWRJK-UHFFFAOYSA-N -2 0 371.418 2.609 20 0 FFADRL CCn1nc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1C1CC1 ZINC000268381408 509898318 /nfs/dbraw/zinc/89/83/18/509898318.db2.gz ZEZAFQJJJPDBEF-UHFFFAOYSA-N -2 0 363.439 2.896 20 0 FFADRL CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc21 ZINC000174691184 510253564 /nfs/dbraw/zinc/25/35/64/510253564.db2.gz IVWJYESJFIZAFD-UHFFFAOYSA-N -2 0 363.370 2.694 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187718027 510399822 /nfs/dbraw/zinc/39/98/22/510399822.db2.gz NPNZZAKSYZPBSC-NSHDSACASA-N -2 0 363.439 2.916 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)cc(C(=O)[O-])c1C ZINC000187716064 510400299 /nfs/dbraw/zinc/40/02/99/510400299.db2.gz MIBACDBQAQCRIE-GFCCVEGCSA-N -2 0 363.439 2.970 20 0 FFADRL Cc1cc(C(=O)N(CC2CCC2)c2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000175395781 510624140 /nfs/dbraw/zinc/62/41/40/510624140.db2.gz DOMXJPPOTHFFSW-UHFFFAOYSA-N -2 0 364.405 2.779 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1C(=O)[O-] ZINC000298317934 511243505 /nfs/dbraw/zinc/24/35/05/511243505.db2.gz VBDNEHRMZCWUDW-UHFFFAOYSA-N -2 0 361.379 2.543 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000320412658 511814469 /nfs/dbraw/zinc/81/44/69/511814469.db2.gz NYBKCESKHNHLSO-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000320881864 511816663 /nfs/dbraw/zinc/81/66/63/511816663.db2.gz BPBUCYAALGUDPO-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000324887463 511841463 /nfs/dbraw/zinc/84/14/63/511841463.db2.gz RSESOARYTDRIQC-UHFFFAOYSA-N -2 0 364.301 2.541 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000324945860 511842191 /nfs/dbraw/zinc/84/21/91/511842191.db2.gz SBKILDZAVBDHPX-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c2cccnc12 ZINC000392760824 512928170 /nfs/dbraw/zinc/92/81/70/512928170.db2.gz BRTZBKGVTQVRAS-UHFFFAOYSA-N -2 0 358.375 2.748 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1C(F)(F)F ZINC000447784099 513567638 /nfs/dbraw/zinc/56/76/38/513567638.db2.gz YQWJQAQWHXEVIT-UHFFFAOYSA-N -2 0 364.301 2.541 20 0 FFADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436982519 514061986 /nfs/dbraw/zinc/06/19/86/514061986.db2.gz HGJHXYKLRXPLDO-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)n[nH]1 ZINC000444424341 514225966 /nfs/dbraw/zinc/22/59/66/514225966.db2.gz MJZUDNQTQHIWCZ-UHFFFAOYSA-N -2 0 373.390 2.590 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1C(=O)[O-] ZINC000438723692 514430541 /nfs/dbraw/zinc/43/05/41/514430541.db2.gz MFGSLGVMELBWND-UHFFFAOYSA-N -2 0 373.390 2.711 20 0 FFADRL Cc1cc(C)c2c(c1)N(S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-])CCC2 ZINC000433508814 514506543 /nfs/dbraw/zinc/50/65/43/514506543.db2.gz HXMVSAMPCVMFRC-UHFFFAOYSA-N -2 0 361.419 2.849 20 0 FFADRL Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000507954033 514623183 /nfs/dbraw/zinc/62/31/83/514623183.db2.gz WPIUYZVHDMNUBF-UHFFFAOYSA-N -2 0 363.391 2.809 20 0 FFADRL Cc1cc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000470824225 514630212 /nfs/dbraw/zinc/63/02/12/514630212.db2.gz FHIAZHXJNGOQTD-LLVKDONJSA-N -2 0 370.413 2.800 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000484542372 514682314 /nfs/dbraw/zinc/68/23/14/514682314.db2.gz IXOJCGOYWFISGG-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000489363805 514818014 /nfs/dbraw/zinc/81/80/14/514818014.db2.gz WWOWKMQVVGTKKA-UHFFFAOYSA-N -2 0 351.428 2.525 20 0 FFADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1 ZINC000485297919 514989071 /nfs/dbraw/zinc/98/90/71/514989071.db2.gz ZEROSYHVWIYXMJ-UHFFFAOYSA-N -2 0 373.365 2.782 20 0 FFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c1 ZINC000476403292 515034307 /nfs/dbraw/zinc/03/43/07/515034307.db2.gz HOOISATYODEBLU-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000471927096 515057622 /nfs/dbraw/zinc/05/76/22/515057622.db2.gz LNVFZXIAMGRULU-UHFFFAOYSA-N -2 0 364.354 2.815 20 0 FFADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000510109332 515437960 /nfs/dbraw/zinc/43/79/60/515437960.db2.gz LCPRWXWKMUKWMT-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1)C(=O)[O-] ZINC000463782242 515613394 /nfs/dbraw/zinc/61/33/94/515613394.db2.gz KYKXKOGGQNUINO-CQSZACIVSA-N -2 0 365.455 2.918 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])sc1C(=O)[O-] ZINC000478680832 515922350 /nfs/dbraw/zinc/92/23/50/515922350.db2.gz MHROJLQFDGCEPH-UHFFFAOYSA-N -3 0 369.420 2.871 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1C(=O)[O-] ZINC000506676262 515952226 /nfs/dbraw/zinc/95/22/26/515952226.db2.gz OPSMYDXXFWBQFS-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1O ZINC000484120544 516300729 /nfs/dbraw/zinc/30/07/29/516300729.db2.gz WSDQHDGBZZEABX-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000512741943 516342713 /nfs/dbraw/zinc/34/27/13/516342713.db2.gz CIJZGKWBIUGECI-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1OC ZINC000512767515 516352295 /nfs/dbraw/zinc/35/22/95/516352295.db2.gz RPOTWSDOKDQZNM-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000547868913 516611594 /nfs/dbraw/zinc/61/15/94/516611594.db2.gz XRQYNQUIRQBDRB-UHFFFAOYSA-N -3 0 373.745 2.676 20 0 FFADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000541307161 516977592 /nfs/dbraw/zinc/97/75/92/516977592.db2.gz VRJRITTYGCXGSF-VIFPVBQESA-N -3 0 369.420 2.825 20 0 FFADRL CCN(c1ccc(C)cc1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000519446917 517001987 /nfs/dbraw/zinc/00/19/87/517001987.db2.gz IFWVJLALEQPZML-UHFFFAOYSA-N -2 0 363.391 2.607 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])s1 ZINC000548532062 517039625 /nfs/dbraw/zinc/03/96/25/517039625.db2.gz DJFWYLPJHJFNFD-UHFFFAOYSA-N -2 0 354.453 2.876 20 0 FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000548594699 517073184 /nfs/dbraw/zinc/07/31/84/517073184.db2.gz WIPWZXXRYGTYOY-ZCFIWIBFSA-N -2 0 359.297 2.615 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cs1 ZINC000537394947 517169709 /nfs/dbraw/zinc/16/97/09/517169709.db2.gz SJCHVLQGPLUSMU-UHFFFAOYSA-N -2 0 350.377 2.902 20 0 FFADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000541791805 517217248 /nfs/dbraw/zinc/21/72/48/517217248.db2.gz ITUNWDMLUDAXJN-VIFPVBQESA-N -3 0 369.420 2.510 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)cs1 ZINC000541804839 517224638 /nfs/dbraw/zinc/22/46/38/517224638.db2.gz ONRJEHQZZMXBKH-UHFFFAOYSA-N -2 0 367.433 2.766 20 0 FFADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000562781146 517392701 /nfs/dbraw/zinc/39/27/01/517392701.db2.gz UKPUDXFFJIDZFE-SNVBAGLBSA-N -2 0 367.402 2.727 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000533691089 517573685 /nfs/dbraw/zinc/57/36/85/517573685.db2.gz NZOKDPWYNNFDAU-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)c2O1 ZINC000530540557 517839140 /nfs/dbraw/zinc/83/91/40/517839140.db2.gz KTSVHCUXCWBINQ-UHFFFAOYSA-N -2 0 363.391 2.605 20 0 FFADRL Cc1cc(C(=O)N2CCc3cc(Cl)ccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000576131430 518445297 /nfs/dbraw/zinc/44/52/97/518445297.db2.gz PCVUJWYZKAZEGS-UHFFFAOYSA-N -2 0 356.769 2.601 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ncsc2C(C)C)c1 ZINC000576187604 518469700 /nfs/dbraw/zinc/46/97/00/518469700.db2.gz ZAJJLRWINPEKSA-UHFFFAOYSA-N -2 0 356.425 2.780 20 0 FFADRL O=C([O-])c1ccc(CO)c(-c2ccc(C3(C(=O)[O-])CCOCC3)cc2)c1 ZINC000568266399 518956792 /nfs/dbraw/zinc/95/67/92/518956792.db2.gz SSYSFAHRRKAXRU-UHFFFAOYSA-N -2 0 356.374 2.677 20 0 FFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c1 ZINC000574140778 519007168 /nfs/dbraw/zinc/00/71/68/519007168.db2.gz JPMLHHQJNILRCD-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL Cc1cc(NC(=O)c2cc(C(=O)[O-])n(-c3ccccc3)n2)ccc1C(=O)[O-] ZINC000577930989 519326357 /nfs/dbraw/zinc/32/63/57/519326357.db2.gz SOFKYTBYGUVNSF-UHFFFAOYSA-N -2 0 365.345 2.829 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(C)c1-c1ccccc1 ZINC000583834039 519456006 /nfs/dbraw/zinc/45/60/06/519456006.db2.gz PNXMJLHKOXBTTQ-UHFFFAOYSA-N -2 0 371.418 2.895 20 0 FFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000566552364 519548210 /nfs/dbraw/zinc/54/82/10/519548210.db2.gz UERQGYAOHDDJEW-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1 ZINC000608760943 520117992 /nfs/dbraw/zinc/11/79/92/520117992.db2.gz ZBAKIWSLEZPTSA-UHFFFAOYSA-N -2 0 358.375 2.748 20 0 FFADRL Cc1ccc(S(=O)(=O)Nc2ccc(-c3cncnc3)cc2)cc1C(=O)[O-] ZINC000605119058 520786906 /nfs/dbraw/zinc/78/69/06/520786906.db2.gz VZCDOGLPYWFLRB-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1ccc(C(F)(F)F)cc1[O-] ZINC000629104171 521968252 /nfs/dbraw/zinc/96/82/52/521968252.db2.gz WMHUALRATVNMFM-UHFFFAOYSA-N -2 0 373.356 2.831 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)c[nH]1 ZINC000625079363 523150291 /nfs/dbraw/zinc/15/02/91/523150291.db2.gz CTYFKQARJCIPBX-UHFFFAOYSA-N -2 0 359.363 2.701 20 0 FFADRL CCSc1n[n-]c(=NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])s1 ZINC000516870608 562062003 /nfs/dbraw/zinc/06/20/03/562062003.db2.gz INIVPZIYJBBRGT-UHFFFAOYSA-N -2 0 365.415 2.933 20 0 FFADRL Cc1cc(C(=O)Nc2ccccc2CC(=O)[O-])cc(C)c1OCC(=O)[O-] ZINC000820963706 598197841 /nfs/dbraw/zinc/19/78/41/598197841.db2.gz MWNGTGOWMXYSSP-UHFFFAOYSA-N -2 0 357.362 2.646 20 0 FFADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OCC ZINC000324028764 599735997 /nfs/dbraw/zinc/73/59/97/599735997.db2.gz OFYRIEKBQPLPPP-UHFFFAOYSA-N -2 0 355.368 2.576 20 0 FFADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737212298 600233878 /nfs/dbraw/zinc/23/38/78/600233878.db2.gz GWYIBBOWGSLDSL-UHFFFAOYSA-N -2 0 357.334 2.863 20 0 FFADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738755598 600244270 /nfs/dbraw/zinc/24/42/70/600244270.db2.gz ZEXNPDOQXJDBFZ-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000738753626 600244388 /nfs/dbraw/zinc/24/43/88/600244388.db2.gz FADKJQMVRQWOCM-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000737108280 600244887 /nfs/dbraw/zinc/24/48/87/600244887.db2.gz JCQSHEDUDUDZQY-UHFFFAOYSA-N -2 0 369.420 2.668 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])c2ccccc12 ZINC000738063603 600255552 /nfs/dbraw/zinc/25/55/52/600255552.db2.gz BWQQWKIVGKPSGN-UHFFFAOYSA-N -2 0 360.391 2.984 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C(=O)[O-])c1 ZINC000738042380 600299214 /nfs/dbraw/zinc/29/92/14/600299214.db2.gz SUUYEHFOKHVKEK-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736906336 600459467 /nfs/dbraw/zinc/45/94/67/600459467.db2.gz YGNSTAMNMKKQPX-LLVKDONJSA-N -2 0 359.469 2.858 20 0 FFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CC/C=C\c2ccccc2)cc1 ZINC000739233248 600511591 /nfs/dbraw/zinc/51/15/91/600511591.db2.gz AHQBDWLUNSFUFV-YWEYNIOJSA-N -2 0 373.430 2.824 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1C(F)(F)F ZINC000738654837 600515274 /nfs/dbraw/zinc/51/52/74/600515274.db2.gz IJPIJLBBOMBIKS-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL C[C@H](CN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000736586284 600685591 /nfs/dbraw/zinc/68/55/91/600685591.db2.gz ZVBORJXHTMZVEQ-OAHLLOKOSA-N -2 0 366.421 2.696 20 0 FFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)c1 ZINC000740074840 600891143 /nfs/dbraw/zinc/89/11/43/600891143.db2.gz DNAQTVOEUCDKFI-UHFFFAOYSA-N -2 0 369.782 2.610 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])nc1 ZINC000832413270 600985852 /nfs/dbraw/zinc/98/58/52/600985852.db2.gz NKGDMEZAOORWQC-UHFFFAOYSA-N -2 0 364.404 2.804 20 0 FFADRL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000674054355 601240900 /nfs/dbraw/zinc/24/09/00/601240900.db2.gz NNTYFZJRZATABB-UHFFFAOYSA-N -2 0 373.390 2.584 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000830232292 601250532 /nfs/dbraw/zinc/25/05/32/601250532.db2.gz LSRQYUSVMPINSH-UHFFFAOYSA-N -3 0 355.393 2.508 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000326527375 601318070 /nfs/dbraw/zinc/31/80/70/601318070.db2.gz YBQYSTAEFSTWHM-UITAMQMPSA-N -2 0 361.375 2.592 20 0 FFADRL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000832849300 601361399 /nfs/dbraw/zinc/36/13/99/601361399.db2.gz BVQLXNFAYQGXPO-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC000832468797 601362755 /nfs/dbraw/zinc/36/27/55/601362755.db2.gz PIINBZAYGWIMPB-UHFFFAOYSA-N -2 0 370.452 2.948 20 0 FFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1 ZINC000833266955 601474541 /nfs/dbraw/zinc/47/45/41/601474541.db2.gz HPRRNVMTKGKDJR-UHFFFAOYSA-N -2 0 358.375 2.770 20 0 FFADRL CCCCc1nnc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])s1 ZINC000829439987 601502394 /nfs/dbraw/zinc/50/23/94/601502394.db2.gz HHMIACFADXZVKM-UHFFFAOYSA-N -2 0 359.429 2.590 20 0 FFADRL CCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)s1 ZINC000829573879 601503509 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FFADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000152590588 508475426 /nfs/dbraw/zinc/47/54/26/508475426.db2.gz CWTDXBBJGWUDMZ-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C ZINC000160187669 508951325 /nfs/dbraw/zinc/95/13/25/508951325.db2.gz UUKMOFVKSGGVSJ-UHFFFAOYSA-N -2 0 355.391 2.630 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000165498103 509573091 /nfs/dbraw/zinc/57/30/91/509573091.db2.gz OZGVUXFOZCKTBD-CQSZACIVSA-N -2 0 357.410 2.638 20 0 FFADRL Cc1cc(C(=O)Nc2cccc(C(C)(F)F)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000187368131 510223890 /nfs/dbraw/zinc/22/38/90/510223890.db2.gz WCCCGFUXUOUXJU-UHFFFAOYSA-N -2 0 360.320 2.696 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1C(=O)[O-] ZINC000323728279 511831879 /nfs/dbraw/zinc/83/18/79/511831879.db2.gz PCVCBQCYQFVBSV-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL CCc1ccc(NS(=O)(=O)c2ccc(OC)c(F)c2)c(C(=O)[O-])c1 ZINC000326582914 511860482 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Cc1cc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])ccc1Br ZINC000096703746 600515286 /nfs/dbraw/zinc/51/52/86/600515286.db2.gz KRZLJZFHQPIGMX-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000740076228 600636567 /nfs/dbraw/zinc/63/65/67/600636567.db2.gz SNFCORRCOLLDEV-UHFFFAOYSA-N -2 0 369.782 2.610 20 0 FFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)cc2=O)cc1 ZINC000738250718 600661297 /nfs/dbraw/zinc/66/12/97/600661297.db2.gz PARAWOKBULNNHX-UHFFFAOYSA-N -2 0 366.377 2.841 20 0 FFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cs1 ZINC000831348360 600679966 /nfs/dbraw/zinc/67/99/66/600679966.db2.gz FRMAOCJUHRQRAM-UHFFFAOYSA-N -2 0 374.371 2.565 20 0 FFADRL CN(Cc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1)C(=O)[O-] ZINC000830835626 600722914 /nfs/dbraw/zinc/72/29/14/600722914.db2.gz IFFPQUMPXUIGLJ-UHFFFAOYSA-N -2 0 366.377 2.940 20 0 FFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000826127142 600775244 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CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000829373484 601201620 /nfs/dbraw/zinc/20/16/20/601201620.db2.gz YJRFBARCDHONEG-UHFFFAOYSA-N -2 0 351.428 2.881 20 0 FFADRL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1C ZINC000825879063 601230029 /nfs/dbraw/zinc/23/00/29/601230029.db2.gz IQTZTRBTPKLFSU-UHFFFAOYSA-N -2 0 366.395 2.662 20 0 FFADRL Cc1cccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1C(=O)[O-] ZINC000832972740 601331834 /nfs/dbraw/zinc/33/18/34/601331834.db2.gz HMYUUDOPSYFRAK-YFHOEESVSA-N -2 0 361.375 2.592 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1C(=O)[O-] ZINC000743266125 601334462 /nfs/dbraw/zinc/33/44/62/601334462.db2.gz HEZIBCIIUALBLB-UHFFFAOYSA-N -2 0 365.798 2.795 20 0 FFADRL O=C([O-])CCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000833225254 601387174 /nfs/dbraw/zinc/38/71/74/601387174.db2.gz RBDQWMJQWXXBBR-UHFFFAOYSA-N -2 0 365.817 2.996 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)c1C ZINC000832866655 601502843 /nfs/dbraw/zinc/50/28/43/601502843.db2.gz PSAQDPRJJQWIBB-UHFFFAOYSA-N -2 0 353.425 2.531 20 0 FFADRL Cc1ccncc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000832984961 601576657 /nfs/dbraw/zinc/57/66/57/601576657.db2.gz SGXKTLRGPJPPSS-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142778 601839702 /nfs/dbraw/zinc/83/97/02/601839702.db2.gz NSROVICUXDEMFF-UHFFFAOYSA-N -2 0 366.345 2.956 20 0 FFADRL CCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000829574094 601843919 /nfs/dbraw/zinc/84/39/19/601843919.db2.gz PXDDLMGGPXISLA-UHFFFAOYSA-N -2 0 361.832 2.643 20 0 FFADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829527960 601855684 /nfs/dbraw/zinc/85/56/84/601855684.db2.gz NQNITUCWOALBLY-UHFFFAOYSA-N -2 0 360.388 2.570 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000832868446 601861737 /nfs/dbraw/zinc/86/17/37/601861737.db2.gz NGMLZAINWSOFOD-UHFFFAOYSA-N -2 0 363.391 2.511 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@](C)(C(=O)[O-])C3)n2)c1 ZINC000827129205 602053267 /nfs/dbraw/zinc/05/32/67/602053267.db2.gz IYZUBRSAFKTTGL-IBGZPJMESA-N -2 0 357.410 2.638 20 0 FFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC000676211556 602076365 /nfs/dbraw/zinc/07/63/65/602076365.db2.gz YYOSXIPLXPGQNT-UHFFFAOYSA-N -2 0 369.352 2.905 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)cc1 ZINC000833324517 602103595 /nfs/dbraw/zinc/10/35/95/602103595.db2.gz UGICDFSBUFQDHZ-UHFFFAOYSA-N -2 0 367.433 2.766 20 0 FFADRL COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000831249328 602117286 /nfs/dbraw/zinc/11/72/86/602117286.db2.gz XOUQISGAKPOZRP-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000831851683 602119606 /nfs/dbraw/zinc/11/96/06/602119606.db2.gz FRAQCRKVPMIOMW-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1-c1ncco1 ZINC000832950726 602201894 /nfs/dbraw/zinc/20/18/94/602201894.db2.gz XSYUNXUKPZQZBE-UHFFFAOYSA-N -2 0 365.392 2.606 20 0 FFADRL O=C([O-])c1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1F ZINC000833094830 602299076 /nfs/dbraw/zinc/29/90/76/602299076.db2.gz GRIAGGNLQIAMPZ-UHFFFAOYSA-N -2 0 357.337 2.722 20 0 FFADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000740715267 602653366 /nfs/dbraw/zinc/65/33/66/602653366.db2.gz BYALEYSJBQHSGK-UHFFFAOYSA-N -2 0 358.379 2.763 20 0 FFADRL O=C([O-])N1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000740529897 603182750 /nfs/dbraw/zinc/18/27/50/603182750.db2.gz OTWQJNBABZEAMT-UHFFFAOYSA-N -2 0 368.361 2.802 20 0 FFADRL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000825416510 603395573 /nfs/dbraw/zinc/39/55/73/603395573.db2.gz KXWKQXFJDIILOK-QLJPJBMISA-N -2 0 352.412 2.552 20 0 FFADRL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000832079782 604015069 /nfs/dbraw/zinc/01/50/69/604015069.db2.gz MUFUQORFQIXQMR-UHFFFAOYSA-N -2 0 372.324 2.945 20 0 FFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])c(OC)c1 ZINC000829196789 604426174 /nfs/dbraw/zinc/42/61/74/604426174.db2.gz BSQLVZGNDPUTLJ-UHFFFAOYSA-N -2 0 358.397 2.656 20 0 FFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000833244222 604623282 /nfs/dbraw/zinc/62/32/82/604623282.db2.gz WYTROIYYPHSSQH-UHFFFAOYSA-N -2 0 364.807 2.754 20 0 FFADRL O=C([O-])CCc1csc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)n1 ZINC000833243165 604625009 /nfs/dbraw/zinc/62/50/09/604625009.db2.gz ASNKJOAKCIVZRD-FPLPWBNLSA-N -2 0 356.400 2.712 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c(C)c1 ZINC000832874075 604625231 /nfs/dbraw/zinc/62/52/31/604625231.db2.gz GAGOFSVXTNQBBB-UHFFFAOYSA-N -2 0 354.453 2.886 20 0 FFADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1 ZINC000833775076 605003011 /nfs/dbraw/zinc/00/30/11/605003011.db2.gz VMPXZMKLSZMCBY-UHFFFAOYSA-N -2 0 368.436 2.675 20 0 FFADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cc1 ZINC000833506496 605011421 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2.522 20 0 FFADRL O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)[O-])c1 ZINC000834060115 606060948 /nfs/dbraw/zinc/06/09/48/606060948.db2.gz NQBWSPMVLFGECH-AWEZNQCLSA-N -2 0 366.439 2.866 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cnc1Cl ZINC000156358555 728848909 /nfs/dbraw/zinc/84/89/09/728848909.db2.gz AXUDYJDMGYHIRJ-UHFFFAOYSA-N -2 0 358.778 2.990 20 0 FFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1F ZINC000743261140 735285988 /nfs/dbraw/zinc/28/59/88/735285988.db2.gz BOUTVSFRECFAKO-UHFFFAOYSA-N -2 0 367.251 2.881 20 0 FFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000160031923 728916215 /nfs/dbraw/zinc/91/62/15/728916215.db2.gz GSHIFUMKWOSYHP-UHFFFAOYSA-N -2 0 352.318 2.945 20 0 FFADRL CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000046303944 728016468 /nfs/dbraw/zinc/01/64/68/728016468.db2.gz ZIEFTWNBBBVHDC-UHFFFAOYSA-N -2 0 363.391 2.836 20 0 FFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000181768285 729257374 /nfs/dbraw/zinc/25/73/74/729257374.db2.gz RYXRPTNNWJNAMS-VIFPVBQESA-N -2 0 371.846 2.761 20 0 FFADRL Cn1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)c21 ZINC000190854963 729412380 /nfs/dbraw/zinc/41/23/80/729412380.db2.gz CVLKDZBJDNSPGT-UHFFFAOYSA-N -2 0 366.345 2.956 20 0 FFADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000320230997 729750519 /nfs/dbraw/zinc/75/05/19/729750519.db2.gz WZRMMZPDWKBMSB-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000325867531 729759641 /nfs/dbraw/zinc/75/96/41/729759641.db2.gz XZYTWBHHZMDKTC-UHFFFAOYSA-N -2 0 357.334 2.610 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)cc1C(=O)[O-] ZINC000427351569 729866624 /nfs/dbraw/zinc/86/66/24/729866624.db2.gz FLAYZPQVJJTRNC-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)s1 ZINC000486110838 729914297 /nfs/dbraw/zinc/91/42/97/729914297.db2.gz SHSHRKXEQZYOBK-UHFFFAOYSA-N -2 0 357.457 2.724 20 0 FFADRL Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)C(F)(F)F)o1 ZINC000656179933 731553869 /nfs/dbraw/zinc/55/38/69/731553869.db2.gz CKWDKQMKFSZERI-NSHDSACASA-N -2 0 367.301 2.770 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)sc1C(=O)[O-] ZINC000656635871 731617232 /nfs/dbraw/zinc/61/72/32/731617232.db2.gz LJLRABIHLSTXDD-UHFFFAOYSA-N -2 0 353.421 2.628 20 0 FFADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC000663038140 732374718 /nfs/dbraw/zinc/37/47/18/732374718.db2.gz MOJXUZIQHJNKNG-UHFFFAOYSA-N -2 0 363.439 2.781 20 0 FFADRL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1occc1Br ZINC000926464564 738618451 /nfs/dbraw/zinc/61/84/51/738618451.db2.gz VLWQSJCDKFGNAX-QMMMGPOBSA-N -2 0 368.249 2.600 20 0 FFADRL Cc1nn(-c2ccccc2)c(=NC(=O)c2ccc(Br)cc2[O-])[n-]1 ZINC000674670706 733724659 /nfs/dbraw/zinc/72/46/59/733724659.db2.gz BURQBKZXIONUBF-UHFFFAOYSA-N -2 0 373.210 2.718 20 0 FFADRL CC(C)Oc1c([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cccc1C(=O)[O-] ZINC000685001740 734288184 /nfs/dbraw/zinc/28/81/84/734288184.db2.gz IOLDWPIEWYOIAZ-UHFFFAOYSA-N -2 0 367.427 2.819 20 0 FFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C(=O)[O-] ZINC000753779797 736094204 /nfs/dbraw/zinc/09/42/04/736094204.db2.gz WCCVQBLFJPITRP-UHFFFAOYSA-N -3 0 367.354 2.640 20 0 FFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000756939179 736374897 /nfs/dbraw/zinc/37/48/97/736374897.db2.gz UPRAYEYKOMKTPU-UHFFFAOYSA-N -2 0 363.725 2.823 20 0 FFADRL COCc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1 ZINC000766580294 737244064 /nfs/dbraw/zinc/24/40/64/737244064.db2.gz LVPXIWDECKTXQX-UHFFFAOYSA-N -2 0 353.371 2.780 20 0 FFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cnc1Cl ZINC000767445791 737326043 /nfs/dbraw/zinc/32/60/43/737326043.db2.gz QCPSNOVQFMKPCX-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c(O)c1 ZINC000770635539 737647639 /nfs/dbraw/zinc/64/76/39/737647639.db2.gz RLWCQMZYONMSBA-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL COc1cc(Cl)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000775358188 738086889 /nfs/dbraw/zinc/08/68/89/738086889.db2.gz IWBDMFQAKMTFSP-UHFFFAOYSA-N -2 0 360.757 2.659 20 0 FFADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776484502 738198639 /nfs/dbraw/zinc/19/86/39/738198639.db2.gz OLXRHXJFCCJWAK-UHFFFAOYSA-N -2 0 369.830 2.680 20 0 FFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)[O-] ZINC000790381798 739445624 /nfs/dbraw/zinc/44/56/24/739445624.db2.gz BFFLCOYEZKYAPY-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790397807 739447428 /nfs/dbraw/zinc/44/74/28/739447428.db2.gz DQYBDYNVIHYMNX-UHFFFAOYSA-N -2 0 374.802 2.706 20 0 FFADRL COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)CCC2 ZINC000790409714 739449403 /nfs/dbraw/zinc/44/94/03/739449403.db2.gz VOAHZDHTSUGRGJ-UHFFFAOYSA-N -2 0 365.382 2.822 20 0 FFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000793385030 739775851 /nfs/dbraw/zinc/77/58/51/739775851.db2.gz NMUAUBKETMIDNP-UHFFFAOYSA-N -2 0 355.391 2.585 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)c1 ZINC000795387053 740014919 /nfs/dbraw/zinc/01/49/19/740014919.db2.gz JXNBRBDKGPCYSY-SECBINFHSA-N -2 0 371.361 2.826 20 0 FFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc3cccnc32)s1 ZINC000821106762 742589100 /nfs/dbraw/zinc/58/91/00/742589100.db2.gz OZRCVLOMUQWJKC-UHFFFAOYSA-N -2 0 363.420 2.807 20 0 FFADRL CC(C)CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000848454680 748930294 /nfs/dbraw/zinc/93/02/94/748930294.db2.gz SPNXCTNZVNSNAX-UHFFFAOYSA-N -2 0 366.439 2.949 20 0 FFADRL N#CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000029966947 845054755 /nfs/dbraw/zinc/05/47/55/845054755.db2.gz BTJHDLIYVQKQBB-UHFFFAOYSA-N -2 0 350.783 2.905 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000060471929 845421897 /nfs/dbraw/zinc/42/18/97/845421897.db2.gz IEQVMFYDQZQVCC-UHFFFAOYSA-N -3 0 373.745 2.676 20 0 FFADRL Cc1sc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(C#N)c1C ZINC000323928902 845802975 /nfs/dbraw/zinc/80/29/75/845802975.db2.gz YGBRIKVRGSZGTH-UHFFFAOYSA-N -2 0 366.420 2.501 20 0 FFADRL COc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000326041532 845805620 /nfs/dbraw/zinc/80/56/20/845805620.db2.gz PYRHKNCRLHDPQQ-UHFFFAOYSA-N -2 0 366.782 2.719 20 0 FFADRL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000321597710 970785847 /nfs/dbraw/zinc/78/58/47/970785847.db2.gz KDDLFXLIHFUBLP-UHFFFAOYSA-N -2 0 354.409 2.596 20 0 FFADRL N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000324413545 971117439 /nfs/dbraw/zinc/11/74/39/971117439.db2.gz RCGNVPZEYHCNAT-UHFFFAOYSA-N -2 0 354.746 2.850 20 0 FFADRL CCOc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1F ZINC000325612697 971230430 /nfs/dbraw/zinc/23/04/30/971230430.db2.gz BTLKLPIFPOLHBX-UHFFFAOYSA-N -2 0 357.359 2.933 20 0 FFADRL O=C([O-])COc1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000387162496 972107639 /nfs/dbraw/zinc/10/76/39/972107639.db2.gz VIBIWLCKNUXDFN-UHFFFAOYSA-N -2 0 366.167 2.870 20 0 FFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000314213930 963726403 /nfs/dbraw/zinc/72/64/03/963726403.db2.gz LCEIVFLWGUNXJL-UHFFFAOYSA-N -2 0 362.772 2.809 20 0 FFADRL CCOC(=O)c1oc2nccnc2c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239189 1013657071 /nfs/dbraw/zinc/65/70/71/1013657071.db2.gz OTSVCTWVBFJNLQ-UHFFFAOYSA-N -2 0 371.305 2.540 20 0 FFADRL C[C@@H]1CC(=O)NN=C1c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176242400 1013658260 /nfs/dbraw/zinc/65/82/60/1013658260.db2.gz WFNPHWQKSHGKEW-SNVBAGLBSA-N -2 0 367.361 2.687 20 0 FFADRL O=C([O-])c1cc(Nc2ccc3c(c2)C(=O)N(C2CC2)C3)cc(C(=O)[O-])c1 ZINC001176244148 1013658470 /nfs/dbraw/zinc/65/84/70/1013658470.db2.gz GRLOXTJEILJFBU-UHFFFAOYSA-N -2 0 352.346 2.945 20 0 FFADRL COC(=O)c1nc2c(cccc2Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)o1 ZINC001176244040 1013658643 /nfs/dbraw/zinc/65/86/43/1013658643.db2.gz OZDOOSQCSRLJIF-UHFFFAOYSA-N -2 0 356.290 2.754 20 0 FFADRL COc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(S(=O)(=O)[O-])c1 ZINC001176588071 1013727299 /nfs/dbraw/zinc/72/72/99/1013727299.db2.gz FSVJPGDQUFNIHA-UHFFFAOYSA-N -2 0 363.391 2.802 20 0 FFADRL C[C@H]1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C[C@H]1C(=O)[O-] ZINC000874967208 1013938329 /nfs/dbraw/zinc/93/83/29/1013938329.db2.gz WCMJLRSHHNMBMD-XHDPSFHLSA-N -2 0 357.362 2.648 20 0 FFADRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)nc1 ZINC000320789435 970714957 /nfs/dbraw/zinc/71/49/57/970714957.db2.gz STMWGJYMWHKIJI-UHFFFAOYSA-N -2 0 372.189 2.759 20 0 FFADRL CC(C)[C@@H](NC(=O)c1c(O)cnc2c(Br)cccc21)C(=O)[O-] ZINC001591837460 976113702 /nfs/dbraw/zinc/11/37/02/976113702.db2.gz JNZLPDACHOUHQU-GFCCVEGCSA-N -2 0 367.199 2.542 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H](C)[C@H](CC(=O)[O-])C3)n2)cc1 ZINC001591943697 976483552 /nfs/dbraw/zinc/48/35/52/976483552.db2.gz QAELUXYSJNZANZ-UKRRQHHQSA-N -2 0 371.437 2.884 20 0 FFADRL C[C@@H](NC(=O)N=c1[n-]nc(-c2ccccc2)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653534556 1014367831 /nfs/dbraw/zinc/36/78/31/1014367831.db2.gz QVRXDXICWQAXKG-KGYLQXTDSA-N -2 0 374.466 2.884 20 0 FFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001592259342 977499004 /nfs/dbraw/zinc/49/90/04/977499004.db2.gz OLOCDEGRWQCNGN-ZDUSSCGKSA-N -2 0 361.419 2.525 20 0 FFADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)cc1C ZINC001595022719 979108861 /nfs/dbraw/zinc/10/88/61/979108861.db2.gz DBWTVFBZTIMIQU-JTQLQIEISA-N -2 0 367.427 2.670 20 0 FFADRL CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001595535373 981377440 /nfs/dbraw/zinc/37/74/40/981377440.db2.gz AZMBCBGTERDADJ-ZDUSSCGKSA-N -2 0 361.847 2.535 20 0 FFADRL CCC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595586063 981529129 /nfs/dbraw/zinc/52/91/29/981529129.db2.gz NMNNSXISCBJUKQ-CQSZACIVSA-N -2 0 355.456 2.793 20 0 FFADRL CCN(CCC(=O)[O-])C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000908858777 981556915 /nfs/dbraw/zinc/55/69/15/981556915.db2.gz NSFIJUSGZDLMBF-UHFFFAOYSA-N -2 0 371.315 2.534 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H]3C)n2)cc1 ZINC000909806948 981725102 /nfs/dbraw/zinc/72/51/02/981725102.db2.gz NCVMTHOHTXJWNN-SWLSCSKDSA-N -2 0 357.410 2.637 20 0 FFADRL CCCCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])C(=O)[O-] ZINC001595687466 982179609 /nfs/dbraw/zinc/17/96/09/982179609.db2.gz QXWCKALTAVIYPS-JTQLQIEISA-N -2 0 369.361 2.723 20 0 FFADRL CCCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2C1 ZINC001595750905 982431488 /nfs/dbraw/zinc/43/14/88/982431488.db2.gz JMCIBRAODNJQIA-UHFFFAOYSA-N -2 0 364.423 2.894 20 0 FFADRL CCCCc1cc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n[nH]1 ZINC001595793476 982595770 /nfs/dbraw/zinc/59/57/70/982595770.db2.gz IMULJYDARMOXAN-UHFFFAOYSA-N -2 0 374.422 2.800 20 0 FFADRL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001594959347 982706021 /nfs/dbraw/zinc/70/60/21/982706021.db2.gz RNJMJKQVHLRJIJ-ZDUSSCGKSA-N -2 0 355.456 2.937 20 0 FFADRL CCCc1c(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC001596037286 983319031 /nfs/dbraw/zinc/31/90/31/983319031.db2.gz KPIPHSDEJWKQFP-FQEVSTJZSA-N -2 0 372.421 2.746 20 0 FFADRL CCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(C)(C)C(=O)[O-] ZINC001596174428 983540483 /nfs/dbraw/zinc/54/04/83/983540483.db2.gz DCZPTHLKRNAQNX-UHFFFAOYSA-N -2 0 351.790 2.557 20 0 FFADRL O=P([O-])([O-])OCCNc1ccc(-c2cc(Cl)ccc2Cl)nn1 ZINC001168589089 985656075 /nfs/dbraw/zinc/65/60/75/985656075.db2.gz CTDQJWIPUPBYGT-UHFFFAOYSA-N -2 0 364.125 2.972 20 0 FFADRL Cc1c2cccc(C)c2oc1C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001599975155 986078343 /nfs/dbraw/zinc/07/83/43/986078343.db2.gz GODJIQRGRYAWMP-HHGQXBFMSA-N -2 0 371.389 2.687 20 0 FFADRL CCc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1CC(C)C ZINC001597419879 987727917 /nfs/dbraw/zinc/72/79/17/987727917.db2.gz PMEQVEWLAWSIOI-UHFFFAOYSA-N -2 0 365.455 2.529 20 0 FFADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cnn1CCC(C)C ZINC001597420070 987730597 /nfs/dbraw/zinc/73/05/97/987730597.db2.gz UOOKHOPCVGLCJI-UHFFFAOYSA-N -2 0 369.443 2.892 20 0 FFADRL CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC001597464311 987896245 /nfs/dbraw/zinc/89/62/45/987896245.db2.gz HNJDCIQAKAHODJ-UHFFFAOYSA-N -2 0 365.389 2.987 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CC[C@@H](C(=O)[O-])C3)s1 ZINC001597562805 988310399 /nfs/dbraw/zinc/31/03/99/988310399.db2.gz RFQDRCMWPSLOLX-MRVPVSSYSA-N -2 0 372.493 2.757 20 0 FFADRL CSc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001599812495 988361672 /nfs/dbraw/zinc/36/16/72/988361672.db2.gz YIUWTYKDXMIVMG-UHFFFAOYSA-N -2 0 371.461 2.595 20 0 FFADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC001597591766 988415951 /nfs/dbraw/zinc/41/59/51/988415951.db2.gz IBYJRMNJSXYQGK-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL CCc1csc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC001597638757 988628455 /nfs/dbraw/zinc/62/84/55/988628455.db2.gz XBAZKHIDUOULGR-UHFFFAOYSA-N -2 0 354.453 2.869 20 0 FFADRL CCc1nc([N-]S(=O)(=O)c2ccc(Cl)s2)sc1C(=O)[O-] ZINC001597685195 988830445 /nfs/dbraw/zinc/83/04/45/988830445.db2.gz FWKKVVTZVJYMMW-UHFFFAOYSA-N -2 0 352.846 2.919 20 0 FFADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)s1 ZINC001590500656 990114897 /nfs/dbraw/zinc/11/48/97/990114897.db2.gz IBUDSBLUXNRYCF-UHFFFAOYSA-N -2 0 371.484 2.863 20 0 FFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2=O)cc1 ZINC000738495290 991297906 /nfs/dbraw/zinc/29/79/06/991297906.db2.gz RPHIBJNVIYOLMI-UHFFFAOYSA-N -2 0 355.325 2.564 20 0 FFADRL CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001591057798 991470236 /nfs/dbraw/zinc/47/02/36/991470236.db2.gz KLBKCSMJNHWOIV-PSLIRLAXSA-N -2 0 359.831 2.525 20 0 FFADRL CC(C)CCc1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC001591269542 992185652 /nfs/dbraw/zinc/18/56/52/992185652.db2.gz FVMDRFWFQZNMOP-UHFFFAOYSA-N -2 0 361.470 2.687 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1OC ZINC001599598124 993776098 /nfs/dbraw/zinc/77/60/98/993776098.db2.gz KQQSHDRMNGKBFB-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c2cccnc12 ZINC001599617086 994029434 /nfs/dbraw/zinc/02/94/34/994029434.db2.gz YSIAFLVMMYOVPM-UHFFFAOYSA-N -2 0 364.404 2.804 20 0 FFADRL C[C@@]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)(C1CC1)C(F)(F)F ZINC001593326929 994884788 /nfs/dbraw/zinc/88/47/88/994884788.db2.gz QZQCZAFTIFUHDX-GFCCVEGCSA-N -2 0 355.309 2.533 20 0 FFADRL C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001593698237 996162365 /nfs/dbraw/zinc/16/23/65/996162365.db2.gz CEFLICWJIAHKIF-ZETCQYMHSA-N -2 0 364.301 2.541 20 0 FFADRL CC1(C)CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001593905094 996785785 /nfs/dbraw/zinc/78/57/85/996785785.db2.gz PDFQHRZFDSRCBS-CQSZACIVSA-N -2 0 353.440 2.547 20 0 FFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(C(C)=O)c1 ZINC001599383664 996904858 /nfs/dbraw/zinc/90/48/58/996904858.db2.gz GZEMXXOAGZQLJO-UHFFFAOYSA-N -2 0 367.354 2.536 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cncc2c1CCCC2 ZINC001599387964 996980060 /nfs/dbraw/zinc/98/00/60/996980060.db2.gz USRLDQRVHYHNDG-UHFFFAOYSA-N -2 0 368.436 2.530 20 0 FFADRL COc1ccc(C2CC2)c([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001599538053 997779637 /nfs/dbraw/zinc/77/96/37/997779637.db2.gz UWLFARTWOIBAMW-UHFFFAOYSA-N -2 0 362.407 2.775 20 0 FFADRL COC(=O)c1sc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001599021489 998983020 /nfs/dbraw/zinc/98/30/20/998983020.db2.gz YUPLROLZPJWEAQ-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001599022000 998988084 /nfs/dbraw/zinc/98/80/84/998988084.db2.gz MCIQIEKOHLSBSY-UHFFFAOYSA-N -2 0 373.408 2.552 20 0 FFADRL C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001594344898 999304673 /nfs/dbraw/zinc/30/46/73/999304673.db2.gz KDZIWHBKFPFJSQ-CHWSQXEVSA-N -2 0 353.440 2.547 20 0 FFADRL O=C(Nc1ccccc1-c1cnco1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926094 1001241062 /nfs/dbraw/zinc/24/10/62/1001241062.db2.gz CNPZVXULRSIBKY-UHFFFAOYSA-N -2 0 360.347 2.546 20 0 FFADRL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001184668725 1002681898 /nfs/dbraw/zinc/68/18/98/1002681898.db2.gz ZLDXRUKZQFRUSW-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc3ccccc3cn2)cc1C(=O)[O-] ZINC001185269550 1002894592 /nfs/dbraw/zinc/89/45/92/1002894592.db2.gz MUQLTDAFIRHUOC-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC001185556042 1002984344 /nfs/dbraw/zinc/98/43/44/1002984344.db2.gz OLKAZJMKHJELKT-UHFFFAOYSA-N -2 0 369.328 2.686 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1C ZINC001185876352 1003090154 /nfs/dbraw/zinc/09/01/54/1003090154.db2.gz MWSWFHJUUKRAKD-UHFFFAOYSA-N -2 0 351.428 2.525 20 0 FFADRL O=S(=O)([N-]c1cc([O-])c(F)c(F)c1)c1c(Cl)nc2sccn21 ZINC001187136181 1003581767 /nfs/dbraw/zinc/58/17/67/1003581767.db2.gz JEVZJEOPLZVTFC-UHFFFAOYSA-N -2 0 365.770 2.834 20 0 FFADRL Cc1ncncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192402829 1004162496 /nfs/dbraw/zinc/16/24/96/1004162496.db2.gz WLJFXJVDJJWXCE-UHFFFAOYSA-N -2 0 362.194 2.591 20 0 FFADRL CC(C)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193979746 1004624317 /nfs/dbraw/zinc/62/43/17/1004624317.db2.gz DQASTJCBUSAHQS-UHFFFAOYSA-N -2 0 373.793 2.892 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(C)cn1 ZINC001193981221 1004624610 /nfs/dbraw/zinc/62/46/10/1004624610.db2.gz NXMFCQDLQLBGEL-UHFFFAOYSA-N -2 0 374.777 2.690 20 0 FFADRL COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739171 1004717533 /nfs/dbraw/zinc/71/75/33/1004717533.db2.gz MJHDIENOKAWJMK-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2ccncn2)cs1 ZINC001198740463 1004719057 /nfs/dbraw/zinc/71/90/57/1004719057.db2.gz GVHCALIZSRFMHT-UHFFFAOYSA-N -2 0 361.404 2.704 20 0 FFADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cncc(N2CCCCC2)c1 ZINC001198746624 1004720891 /nfs/dbraw/zinc/72/08/91/1004720891.db2.gz HBDNSZUYIVFEHR-UHFFFAOYSA-N -2 0 361.423 2.571 20 0 FFADRL Cc1cnn(-c2cccc(C)c2)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198746853 1004721235 /nfs/dbraw/zinc/72/12/35/1004721235.db2.gz NTMHLGQRBWOJTM-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3occc3c2)c(F)cc1F ZINC001195205119 1004916282 /nfs/dbraw/zinc/91/62/82/1004916282.db2.gz HDMXXDHZRUOHHQ-UHFFFAOYSA-N -2 0 354.290 2.605 20 0 FFADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001187545833 1006135230 /nfs/dbraw/zinc/13/52/30/1006135230.db2.gz ZNPYFYIFKOXIMM-UHFFFAOYSA-N -2 0 359.791 2.520 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3cncnc3c2)c1 ZINC001187582059 1006164262 /nfs/dbraw/zinc/16/42/62/1006164262.db2.gz NFMVERQUMWNHIK-UHFFFAOYSA-N -2 0 363.782 2.782 20 0 FFADRL O=C([O-])c1cc(C(=O)Nc2ccccc2C(F)F)cc(S(=O)(=O)[O-])c1 ZINC001189923802 1007353274 /nfs/dbraw/zinc/35/32/74/1007353274.db2.gz BWNGCSKTTRZHNY-UHFFFAOYSA-N -2 0 371.317 2.821 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1F ZINC000680489731 1018012035 /nfs/dbraw/zinc/01/20/35/1018012035.db2.gz DZLMWNJKMRZDSN-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL O=C([O-])C1CC(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000682701217 1018929020 /nfs/dbraw/zinc/92/90/20/1018929020.db2.gz DSLMBUVWCSILRE-UHFFFAOYSA-N -2 0 374.418 2.537 20 0 FFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000901866632 1019528832 /nfs/dbraw/zinc/52/88/32/1019528832.db2.gz KKUCAFQQECZZMM-UHFFFAOYSA-N -2 0 373.390 2.584 20 0 FFADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)s1 ZINC001605848130 1069681926 /nfs/dbraw/zinc/68/19/26/1069681926.db2.gz AFFGMKILSDPXQP-UHFFFAOYSA-N -2 0 350.805 2.759 20 0 FFADRL COc1ccc(/C=C/c2cc(O)cc(OC(=O)[C@H](O)CCC(=O)[O-])c2)cc1 ZINC001229141288 1036519006 /nfs/dbraw/zinc/51/90/06/1036519006.db2.gz NPPHKRWNEBKLLW-ZMUQKWFASA-N -2 0 372.373 2.702 20 0 FFADRL CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234340098 1036993212 /nfs/dbraw/zinc/99/32/12/1036993212.db2.gz SKYGTZYQPBIQBH-VDISTLRHSA-N -2 0 373.342 2.935 20 0 FFADRL O=c1cc(-c2cc(F)c(F)cc2F)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245914552 1039146228 /nfs/dbraw/zinc/14/62/28/1039146228.db2.gz SJUBEUNVXIEVOK-UHFFFAOYSA-N -2 0 370.308 2.909 20 0 FFADRL O=c1cc(-c2cc(F)ccc2F)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245930573 1039149945 /nfs/dbraw/zinc/14/99/45/1039149945.db2.gz RHCVBWPFTKUINQ-UHFFFAOYSA-N -2 0 352.318 2.770 20 0 FFADRL Cc1ccccc1Cc1nnc(-c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)o1 ZINC001258455925 1039378231 /nfs/dbraw/zinc/37/82/31/1039378231.db2.gz SPTZCTZCWXASDQ-UHFFFAOYSA-N -2 0 374.374 2.581 20 0 FFADRL Cc1ccc(-c2nnc(-c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)o2)cc1 ZINC001252690868 1039649457 /nfs/dbraw/zinc/64/94/57/1039649457.db2.gz MWCPJDFAJBFMQB-UHFFFAOYSA-N -2 0 360.347 2.657 20 0 FFADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3F)cc2)[n-]1 ZINC001259080203 1039695020 /nfs/dbraw/zinc/69/50/20/1039695020.db2.gz HZGOAEUDGQJVHZ-UHFFFAOYSA-N -2 0 369.324 2.796 20 0 FFADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259213914 1039808066 /nfs/dbraw/zinc/80/80/66/1039808066.db2.gz STZCPHJERHVZQH-UHFFFAOYSA-N -2 0 374.777 2.690 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(F)cc1Cl ZINC001259224269 1039816397 /nfs/dbraw/zinc/81/63/97/1039816397.db2.gz YRBOTRQVIVFLNZ-JTQLQIEISA-N -2 0 357.737 2.643 20 0 FFADRL COc1ccc(CS(=O)(=O)[N-]c2ncc(Br)cc2[O-])cc1 ZINC001259892588 1040277044 /nfs/dbraw/zinc/27/70/44/1040277044.db2.gz YBLPIWHQCBIREN-UHFFFAOYSA-N -2 0 373.228 2.500 20 0 FFADRL CC1(C)COC(c2ccccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)=N1 ZINC001260191120 1040446529 /nfs/dbraw/zinc/44/65/29/1040446529.db2.gz XZMLHDARHSAYSU-UHFFFAOYSA-N -2 0 374.418 2.741 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n(-c2ccccc2)n1 ZINC001260220863 1040470452 /nfs/dbraw/zinc/47/04/52/1040470452.db2.gz RPZURPFESJJZCC-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL CC(C)c1c(Cl)ncnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260222774 1040472804 /nfs/dbraw/zinc/47/28/04/1040472804.db2.gz CZPMYQGKQNTSMG-UHFFFAOYSA-N -2 0 355.803 2.752 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)no2)cc1 ZINC001260222252 1040472976 /nfs/dbraw/zinc/47/29/76/1040472976.db2.gz SQNUGRNRWWAYSD-UHFFFAOYSA-N -2 0 362.338 2.980 20 0 FFADRL Cc1cnn(-c2ccc(C)cc2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260223251 1040473902 /nfs/dbraw/zinc/47/39/02/1040473902.db2.gz JQHXKGOJTCQIIJ-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL CC(C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228400 1040475202 /nfs/dbraw/zinc/47/52/02/1040475202.db2.gz WTIVNZKSTVGFNG-UHFFFAOYSA-N -2 0 363.391 2.751 20 0 FFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)sn1 ZINC001260393474 1040576105 /nfs/dbraw/zinc/57/61/05/1040576105.db2.gz KKKKAGLZDPFLKA-UHFFFAOYSA-N -2 0 356.425 2.645 20 0 FFADRL CCOc1cnc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001260869112 1040857798 /nfs/dbraw/zinc/85/77/98/1040857798.db2.gz BCYWJJSZBLCHGV-UHFFFAOYSA-N -2 0 364.210 2.689 20 0 FFADRL O=S(=O)([N-]c1cnc2ccnn2c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869478 1040859474 /nfs/dbraw/zinc/85/94/74/1040859474.db2.gz UDQZUDTUCGGEDA-UHFFFAOYSA-N -2 0 359.194 2.543 20 0 FFADRL O=P([O-])([O-])c1ccc(-c2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC001242889361 1044817482 /nfs/dbraw/zinc/81/74/82/1044817482.db2.gz NNNJPKBTQMROEK-UHFFFAOYSA-N -2 0 353.742 2.647 20 0 FFADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CCCCC(=O)[O-] ZINC001329939350 1048977416 /nfs/dbraw/zinc/97/74/16/1048977416.db2.gz IGYPIPKDQQJPQB-UHFFFAOYSA-N -2 0 351.428 2.781 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001344497876 1052801987 /nfs/dbraw/zinc/80/19/87/1052801987.db2.gz ABPZRTUKRUIWAO-UHFFFAOYSA-N -2 0 364.301 2.541 20 0 FFADRL O=C([O-])CCc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC001574709794 1078068453 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CC(C)(C)C[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001589751160 1080701666 /nfs/dbraw/zinc/70/16/66/1080701666.db2.gz AGNDBJHZOYNRCH-GFCCVEGCSA-N -2 0 365.817 2.851 20 0 FFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000042792661 506669163 /nfs/dbraw/zinc/66/91/63/506669163.db2.gz XXZKZKIZUXASQL-UHFFFAOYSA-N -2 0 363.391 2.589 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1C(=O)[O-] ZINC000067660028 506967215 /nfs/dbraw/zinc/96/72/15/506967215.db2.gz QDSQUSUFHRATKV-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000045945776 507049811 /nfs/dbraw/zinc/04/98/11/507049811.db2.gz WRYBTSKVQVEFCH-UHFFFAOYSA-N -2 0 365.407 2.765 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000045945471 507049826 /nfs/dbraw/zinc/04/98/26/507049826.db2.gz YXALUZKXGSXZKF-UHFFFAOYSA-N -2 0 365.407 2.765 20 0 FFADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000068077553 507101897 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FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)n2)cc1 ZINC000263378686 510684682 /nfs/dbraw/zinc/68/46/82/510684682.db2.gz WXPOVQRMCCFXCI-HIFRSBDPSA-N -2 0 371.437 2.884 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(C(C)C)n2)c(C)c1CC(=O)[O-] ZINC000280947562 511662430 /nfs/dbraw/zinc/66/24/30/511662430.db2.gz JIYSDGLOISBDQR-UHFFFAOYSA-N -2 0 365.455 2.817 20 0 FFADRL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000324604969 511837127 /nfs/dbraw/zinc/83/71/27/511837127.db2.gz AZEHKCDKVJNNMU-UHFFFAOYSA-N -2 0 368.436 2.904 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(F)c1 ZINC000325838827 511851287 /nfs/dbraw/zinc/85/12/87/511851287.db2.gz RCUDAJXSJJZRCV-UHFFFAOYSA-N -2 0 361.297 2.926 20 0 FFADRL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000327198330 511870721 /nfs/dbraw/zinc/87/07/21/511870721.db2.gz CCUBODCHQROEEN-UHFFFAOYSA-N -2 0 366.370 2.673 20 0 FFADRL Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc(C(=O)[O-])c1C ZINC000327436023 511876188 /nfs/dbraw/zinc/87/61/88/511876188.db2.gz SQMOFHCHJKFRCT-UHFFFAOYSA-N -2 0 362.407 2.625 20 0 FFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000392550766 512925788 /nfs/dbraw/zinc/92/57/88/512925788.db2.gz XQQSTAHZQZYQQC-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1CCC(C)C ZINC000440831576 513418469 /nfs/dbraw/zinc/41/84/69/513418469.db2.gz INEWAZHMRZPZMW-UHFFFAOYSA-N -2 0 369.418 2.876 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)cc1CC(=O)[O-] ZINC000451102713 513523907 /nfs/dbraw/zinc/52/39/07/513523907.db2.gz LKMBESGDURHXMW-UHFFFAOYSA-N -2 0 370.452 2.703 20 0 FFADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1C ZINC000448132409 513681764 /nfs/dbraw/zinc/68/17/64/513681764.db2.gz LCHWQIVGCFKMPX-UHFFFAOYSA-N -2 0 367.427 2.505 20 0 FFADRL O=C([O-])CC[C@H](Cc1ccccc1)N=c1[n-]nc(C2CCOCC2)s1 ZINC000416445999 513776455 /nfs/dbraw/zinc/77/64/55/513776455.db2.gz NTQPIYDMLSBXFJ-OAHLLOKOSA-N -2 0 361.467 3.320 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cs1 ZINC000425959756 513806299 /nfs/dbraw/zinc/80/62/99/513806299.db2.gz LOTLLTWUWBFMGW-UHFFFAOYSA-N -2 0 351.405 2.766 20 0 FFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1 ZINC000436646422 513928360 /nfs/dbraw/zinc/92/83/60/513928360.db2.gz GBDNWPXZOUYRFS-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438793618 514441593 /nfs/dbraw/zinc/44/15/93/514441593.db2.gz HAVOXEVUCXCBAT-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c(F)c1 ZINC000438810710 514446415 /nfs/dbraw/zinc/44/64/15/514446415.db2.gz YCNRPPGFYRXBIG-UHFFFAOYSA-N -2 0 373.365 2.782 20 0 FFADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cccc3c2OCC3)cc1 ZINC000421151490 514506402 /nfs/dbraw/zinc/50/64/02/514506402.db2.gz JOVUZJHUAMHCJX-UHFFFAOYSA-N -2 0 361.419 2.830 20 0 FFADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433529288 514509624 /nfs/dbraw/zinc/50/96/24/514509624.db2.gz INPCYAQJFFBPIW-UHFFFAOYSA-N -2 0 365.407 2.926 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c1 ZINC000439243380 514512185 /nfs/dbraw/zinc/51/21/85/514512185.db2.gz DSBWCEIOLKESKL-UHFFFAOYSA-N -2 0 367.433 2.766 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1CC(C)C ZINC000507921937 514612441 /nfs/dbraw/zinc/61/24/41/514612441.db2.gz PFGXMUQQSFCBIF-UHFFFAOYSA-N -2 0 351.428 2.655 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000484547490 514682967 /nfs/dbraw/zinc/68/29/67/514682967.db2.gz ZVKBUSRCTUMOAV-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(F)F)n1 ZINC000484601970 514707839 /nfs/dbraw/zinc/70/78/39/514707839.db2.gz QURJLSXJCVPYQE-UHFFFAOYSA-N -2 0 373.381 2.771 20 0 FFADRL COc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000484957275 514856521 /nfs/dbraw/zinc/85/65/21/514856521.db2.gz BWFFXYZWLKGLJD-UHFFFAOYSA-N -2 0 365.407 2.981 20 0 FFADRL COC(=O)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(C)cc1C ZINC000471581633 514938521 /nfs/dbraw/zinc/93/85/21/514938521.db2.gz PXNVJBMLMWZHHF-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000476395192 515032798 /nfs/dbraw/zinc/03/27/98/515032798.db2.gz WJWNDGRVGWBLAU-UHFFFAOYSA-N -3 0 355.393 2.562 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1C(=O)[O-] ZINC000471978121 515074431 /nfs/dbraw/zinc/07/44/31/515074431.db2.gz NUCMYDGZDQIBQM-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000509659993 515278526 /nfs/dbraw/zinc/27/85/26/515278526.db2.gz VZDOLXNDBARLIZ-UHFFFAOYSA-N -3 0 361.784 2.599 20 0 FFADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000511112225 515785867 /nfs/dbraw/zinc/78/58/67/515785867.db2.gz YGIWMOIEVUCHMT-UHFFFAOYSA-N -2 0 363.391 2.511 20 0 FFADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000511109475 515785890 /nfs/dbraw/zinc/78/58/90/515785890.db2.gz OHPHULWSAJVSBU-UHFFFAOYSA-N -2 0 354.409 2.514 20 0 FFADRL CCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc21 ZINC000460827213 516259181 /nfs/dbraw/zinc/25/91/81/516259181.db2.gz FLKUPAJTIHPXAI-UHFFFAOYSA-N -2 0 361.423 2.889 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(C(=O)[O-])c1 ZINC000507621627 516264325 /nfs/dbraw/zinc/26/43/25/516264325.db2.gz ONUAKNLDDXELKL-UHFFFAOYSA-N -2 0 364.354 2.815 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000512735639 516340616 /nfs/dbraw/zinc/34/06/16/516340616.db2.gz YQAYZDUGORAPFI-UHFFFAOYSA-N -3 0 367.354 2.640 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cn1 ZINC000543658740 516352266 /nfs/dbraw/zinc/35/22/66/516352266.db2.gz SNKBBZWOEUHAEC-UHFFFAOYSA-N -2 0 356.787 2.633 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000535895004 516547201 /nfs/dbraw/zinc/54/72/01/516547201.db2.gz NMJHFUFENMIYNW-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CN(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000547882387 516615933 /nfs/dbraw/zinc/61/59/33/516615933.db2.gz RRZLTVFDBYOYKO-UHFFFAOYSA-N -2 0 356.350 2.530 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)c(C)o1 ZINC000540649832 516653686 /nfs/dbraw/zinc/65/36/86/516653686.db2.gz CHWGQDWQRGGESP-UHFFFAOYSA-N -2 0 361.379 2.581 20 0 FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513814401 516764831 /nfs/dbraw/zinc/76/48/31/516764831.db2.gz YCFPVTXOZUATJP-UHFFFAOYSA-N -2 0 371.390 2.501 20 0 FFADRL Cc1c(F)cc(S(=O)(=O)[N-]c2cccnc2OC(C)C)cc1C(=O)[O-] ZINC000518770636 516767737 /nfs/dbraw/zinc/76/77/37/516767737.db2.gz YHZZUSCYSUHOJJ-UHFFFAOYSA-N -2 0 368.386 2.815 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cnn1CC(C)C ZINC000536569862 516829109 /nfs/dbraw/zinc/82/91/09/516829109.db2.gz YSRPMBCYKAMIDS-UHFFFAOYSA-N -2 0 365.455 2.963 20 0 FFADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000541307155 516978489 /nfs/dbraw/zinc/97/84/89/516978489.db2.gz VRJRITTYGCXGSF-SECBINFHSA-N -3 0 369.420 2.825 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548526685 517035124 /nfs/dbraw/zinc/03/51/24/517035124.db2.gz CVVKFKLQFHHGDX-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1Cl ZINC000525823297 517183697 /nfs/dbraw/zinc/18/36/97/517183697.db2.gz KURNTWHCLJNEAW-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000515174209 517239581 /nfs/dbraw/zinc/23/95/81/517239581.db2.gz WWEUXBQXFLSVIB-QMTHXVAHSA-N -2 0 367.801 2.930 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nn1-c1ccccc1 ZINC000537835853 517367960 /nfs/dbraw/zinc/36/79/60/517367960.db2.gz BNGWUCMXHZFZTD-UHFFFAOYSA-N -2 0 361.379 2.581 20 0 FFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cn1C ZINC000562966615 517540742 /nfs/dbraw/zinc/54/07/42/517540742.db2.gz SAYQIJIKPZETAI-UHFFFAOYSA-N -2 0 357.819 2.696 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000533690004 517571057 /nfs/dbraw/zinc/57/10/57/517571057.db2.gz OQHGZRBCBYNOKS-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1scnc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000530140189 517585150 /nfs/dbraw/zinc/58/51/50/517585150.db2.gz GOTVYDOJJLUXBD-UHFFFAOYSA-N -2 0 370.452 2.804 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1 ZINC000549724224 517674314 /nfs/dbraw/zinc/67/43/14/517674314.db2.gz JWDDVGVCNCGPHG-UHFFFAOYSA-N -2 0 360.391 2.691 20 0 FFADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000534238361 517800599 /nfs/dbraw/zinc/80/05/99/517800599.db2.gz KLXSKEKQURZMGH-UHFFFAOYSA-N -2 0 372.196 2.654 20 0 FFADRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000521779529 517852432 /nfs/dbraw/zinc/85/24/32/517852432.db2.gz PIBIDDKUURJRLU-LBPRGKRZSA-N -2 0 361.373 2.577 20 0 FFADRL O=C([O-])CSCCNS(=O)(=O)c1sc2ccccc2c1Cl ZINC000564539164 518491176 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FFADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C(=O)[O-] ZINC000390274747 845841351 /nfs/dbraw/zinc/84/13/51/845841351.db2.gz KOSLZMXUDDQOBN-UHFFFAOYSA-N -2 0 356.787 2.633 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnc1Cl ZINC000391474244 845847144 /nfs/dbraw/zinc/84/71/44/845847144.db2.gz IYRMAXLDJAXTTR-UHFFFAOYSA-N -2 0 358.778 2.990 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cc(C(=O)[O-])c1F ZINC000392721847 845855329 /nfs/dbraw/zinc/85/53/29/845855329.db2.gz GEOVTPOPYYSRJD-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)sc1C ZINC000321377577 970766405 /nfs/dbraw/zinc/76/64/05/970766405.db2.gz WKOBBCDDRZHQEB-UHFFFAOYSA-N -2 0 356.425 2.522 20 0 FFADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)cc1 ZINC000325917307 971254388 /nfs/dbraw/zinc/25/43/88/971254388.db2.gz OVDARDSIISBDJI-UHFFFAOYSA-N -2 0 351.380 2.593 20 0 FFADRL CC(C)(C)CC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC001602861173 971717997 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ZINC001592466248 978211451 /nfs/dbraw/zinc/21/14/51/978211451.db2.gz TZUIOMRZTBTCGM-GFCCVEGCSA-N -2 0 353.440 2.796 20 0 FFADRL C[C@@H](CCC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001592469923 978215447 /nfs/dbraw/zinc/21/54/47/978215447.db2.gz BRTCSZIRFJQCEE-IRDXTQHGSA-N -2 0 359.422 2.594 20 0 FFADRL C[C@@H](CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1)C(=O)[O-] ZINC001592564083 978457439 /nfs/dbraw/zinc/45/74/39/978457439.db2.gz RHMNEZMNZFPVPA-JTQLQIEISA-N -2 0 363.801 2.557 20 0 FFADRL CCC(CC)(C(=O)[O-])C(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001595047715 979259261 /nfs/dbraw/zinc/25/92/61/979259261.db2.gz FNGRZESGAYOGCD-UHFFFAOYSA-N -2 0 368.455 2.513 20 0 FFADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-])C(C)C ZINC001595536327 981382520 /nfs/dbraw/zinc/38/25/20/981382520.db2.gz WYCPEZZTIZWMDN-SNVBAGLBSA-N -2 0 361.847 2.915 20 0 FFADRL O=C([O-])[C@@H](CNC(=O)CCCc1ccc(O)c(F)c1)Cc1ccccc1 ZINC000909180663 981643105 /nfs/dbraw/zinc/64/31/05/981643105.db2.gz 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COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC001338358430 1055444210 /nfs/dbraw/zinc/44/42/10/1055444210.db2.gz JFTNRWJQGQOUGN-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL CCCOc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1F ZINC001586492126 1079639212 /nfs/dbraw/zinc/63/92/12/1079639212.db2.gz MUSCQYHFUQTABN-UHFFFAOYSA-N -2 0 372.356 2.925 20 0 FFADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC001589595503 1080626171 /nfs/dbraw/zinc/62/61/71/1080626171.db2.gz WEJBPXSXEOEECN-CJNGLKHVSA-N -2 0 362.426 2.735 20 0 FFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccnn2C2CCC2)cc1 ZINC001589640828 1080645823 /nfs/dbraw/zinc/64/58/23/1080645823.db2.gz IQIWFHDCFQDWEA-UHFFFAOYSA-N -2 0 363.439 2.771 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)cc1C(=O)[O-] ZINC000273408535 252300263 /nfs/dbraw/zinc/30/02/63/252300263.db2.gz MFKKWGNONRUWMB-UHFFFAOYSA-N -2 0 359.354 2.717 20 0 FFADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cn1 ZINC000278066338 256273055 /nfs/dbraw/zinc/27/30/55/256273055.db2.gz KSWKRFLEQUFKPH-UHFFFAOYSA-N -2 0 355.441 2.643 20 0 FFADRL CCOc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1OC ZINC000042795564 506669289 /nfs/dbraw/zinc/66/92/89/506669289.db2.gz XGLWPKNUFCYNDT-UHFFFAOYSA-N -2 0 371.436 2.963 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000055582532 506788312 /nfs/dbraw/zinc/78/83/12/506788312.db2.gz JGXNSUZLEIPNFD-UHFFFAOYSA-N -2 0 371.418 2.934 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cncc(Br)c2)cccc1C(=O)[O-] ZINC000044244961 506824189 /nfs/dbraw/zinc/82/41/89/506824189.db2.gz GGVLRHHOTBQKTN-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C(=O)[O-])c1 ZINC000060360623 507531359 /nfs/dbraw/zinc/53/13/59/507531359.db2.gz APWRJNKWMJTLPY-UHFFFAOYSA-N -2 0 363.391 2.809 20 0 FFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1C ZINC000266111997 510414862 /nfs/dbraw/zinc/41/48/62/510414862.db2.gz WHLHTYBRNXVPGU-UHFFFAOYSA-N -2 0 357.819 2.672 20 0 FFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000181675367 510534582 /nfs/dbraw/zinc/53/45/82/510534582.db2.gz XVDDULSAMAOVHC-UHFFFAOYSA-N -2 0 369.418 2.794 20 0 FFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)cc1C(=O)[O-] ZINC000279921481 511267319 /nfs/dbraw/zinc/26/73/19/511267319.db2.gz ULOIZJAQRXLMIU-UHFFFAOYSA-N -2 0 353.375 2.547 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(Cl)c1 ZINC000323328146 511830524 /nfs/dbraw/zinc/83/05/24/511830524.db2.gz LIUXBJNXFVGIKR-UHFFFAOYSA-N -2 0 351.771 2.715 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000324576314 511837707 /nfs/dbraw/zinc/83/77/07/511837707.db2.gz MRKWCRWRXUKHKN-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NCC(C1CC1)C1CC1 ZINC000324851398 511841217 /nfs/dbraw/zinc/84/12/17/511841217.db2.gz FBTXYHSRMSHYPM-UHFFFAOYSA-N -2 0 373.858 2.761 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)cc1C(=O)[O-] ZINC000326994638 511867684 /nfs/dbraw/zinc/86/76/84/511867684.db2.gz ZIYVVAOQTCJHGJ-UHFFFAOYSA-N -2 0 363.391 2.535 20 0 FFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000327447908 511877030 /nfs/dbraw/zinc/87/70/30/511877030.db2.gz SQZWKQCKPZBRNY-UHFFFAOYSA-N -2 0 363.391 2.589 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000327985779 511884928 /nfs/dbraw/zinc/88/49/28/511884928.db2.gz QYTFYKHYVIQUAF-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL CO[C@H](C)CS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC000282147620 512088839 /nfs/dbraw/zinc/08/88/39/512088839.db2.gz FGVAWUHRDIZPNN-ZCFIWIBFSA-N -2 0 358.641 2.585 20 0 FFADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cn1 ZINC000446638541 513303601 /nfs/dbraw/zinc/30/36/01/513303601.db2.gz OHXYIHYHJSLUMR-UHFFFAOYSA-N -2 0 357.457 2.761 20 0 FFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1OC ZINC000447787838 513568808 /nfs/dbraw/zinc/56/88/08/513568808.db2.gz OLCSUULVCVUPAT-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL CN(c1ccc(Cl)cc1F)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000435473956 513599162 /nfs/dbraw/zinc/59/91/62/513599162.db2.gz LAYUCRSUZUFZKE-UHFFFAOYSA-N -2 0 359.762 2.708 20 0 FFADRL C=Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000436479199 513867349 /nfs/dbraw/zinc/86/73/49/513867349.db2.gz UJFZZDADOIBXKE-UHFFFAOYSA-N -2 0 363.391 2.846 20 0 FFADRL CCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1F ZINC000443466783 513976488 /nfs/dbraw/zinc/97/64/88/513976488.db2.gz QIHXFPSCEDRYER-UHFFFAOYSA-N -2 0 367.398 2.961 20 0 FFADRL CCc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1F ZINC000443465098 513976631 /nfs/dbraw/zinc/97/66/31/513976631.db2.gz LUOKWNJMOQAIIW-UHFFFAOYSA-N -2 0 353.371 2.896 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1Cl ZINC000436787855 513981696 /nfs/dbraw/zinc/98/16/96/513981696.db2.gz ZECTXUWSLVJLRW-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cn1 ZINC000436934656 514039016 /nfs/dbraw/zinc/03/90/16/514039016.db2.gz YFJZZUJPICAXHP-JTQLQIEISA-N -2 0 365.411 2.503 20 0 FFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC000436994426 514068030 /nfs/dbraw/zinc/06/80/30/514068030.db2.gz MVTKXYJGFCCSDG-UHFFFAOYSA-N -2 0 363.391 2.680 20 0 FFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1O ZINC000436998185 514070255 /nfs/dbraw/zinc/07/02/55/514070255.db2.gz YCMHFOJXCGLUHV-UHFFFAOYSA-N -2 0 360.347 2.546 20 0 FFADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000438778793 514441003 /nfs/dbraw/zinc/44/10/03/514441003.db2.gz SGFZXMCGEYODHC-UHFFFAOYSA-N -2 0 357.819 2.791 20 0 FFADRL CC(C)C[C@H](CNC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)C(=O)[O-] ZINC000424383626 514467446 /nfs/dbraw/zinc/46/74/46/514467446.db2.gz QFVVJKCPDFJLMK-ISALQUGTSA-N -2 0 364.427 3.170 20 0 FFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000507887994 514598888 /nfs/dbraw/zinc/59/88/88/514598888.db2.gz LTZSMMRFGAMBKQ-LLVKDONJSA-N -2 0 351.428 2.970 20 0 FFADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000484492493 514665726 /nfs/dbraw/zinc/66/57/26/514665726.db2.gz ACAGQZNTALEWPU-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])c1 ZINC000484498078 514668762 /nfs/dbraw/zinc/66/87/62/514668762.db2.gz HDGFAQVSUGGTQF-UHFFFAOYSA-N -2 0 369.468 2.579 20 0 FFADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000475833013 514827921 /nfs/dbraw/zinc/82/79/21/514827921.db2.gz POVDTIIDUVQVOH-UHFFFAOYSA-N -2 0 369.830 2.828 20 0 FFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000484988202 514865601 /nfs/dbraw/zinc/86/56/01/514865601.db2.gz RDSYJLSGXUTMAI-UHFFFAOYSA-N -2 0 353.371 2.652 20 0 FFADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000462079280 514868906 /nfs/dbraw/zinc/86/89/06/514868906.db2.gz DPWJDXLTBBRVJR-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000462099310 514883920 /nfs/dbraw/zinc/88/39/20/514883920.db2.gz DUQZBPWBIGMWMX-UHFFFAOYSA-N -2 0 357.334 2.863 20 0 FFADRL COc1ccc2c(c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)CCC2 ZINC000480227802 514888291 /nfs/dbraw/zinc/88/82/91/514888291.db2.gz NNHDKYHGPUBMFM-UHFFFAOYSA-N -2 0 365.382 2.822 20 0 FFADRL CCc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1C(CC)CC ZINC000480242807 514893475 /nfs/dbraw/zinc/89/34/75/514893475.db2.gz CTTYGJGNOSZQEK-UHFFFAOYSA-N -2 0 354.432 2.634 20 0 FFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(C)ccc2C)c1OC ZINC000467320184 514976984 /nfs/dbraw/zinc/97/69/84/514976984.db2.gz VKRLBFPPZKNZIJ-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000509104033 515027103 /nfs/dbraw/zinc/02/71/03/515027103.db2.gz SLLLXVNGLCWALD-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cc(C)cc(C)c3C(=O)[O-])cc12 ZINC000476416637 515040893 /nfs/dbraw/zinc/04/08/93/515040893.db2.gz UGTPGLNQHQHLKD-UHFFFAOYSA-N -2 0 361.379 2.647 20 0 FFADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000504507768 515317220 /nfs/dbraw/zinc/31/72/20/515317220.db2.gz MURLEDGWGAWVRG-UHFFFAOYSA-N -2 0 372.402 2.889 20 0 FFADRL COc1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000481450115 515332199 /nfs/dbraw/zinc/33/21/99/515332199.db2.gz INFZRNSNYZBKDE-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)c[nH]1 ZINC000481466804 515337029 /nfs/dbraw/zinc/33/70/29/515337029.db2.gz OIHCMROZSXEENG-UHFFFAOYSA-N -2 0 372.362 2.650 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000477423063 515451008 /nfs/dbraw/zinc/45/10/08/515451008.db2.gz OBPQLQXBAGPEKH-UHFFFAOYSA-N -2 0 363.420 2.946 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463777007 515612212 /nfs/dbraw/zinc/61/22/12/515612212.db2.gz WFEJMZIQOQBEPE-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000511194805 515824321 /nfs/dbraw/zinc/82/43/21/515824321.db2.gz SVBUTDYFNVNPOI-UHFFFAOYSA-N -2 0 371.436 2.662 20 0 FFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506603481 515929361 /nfs/dbraw/zinc/92/93/61/515929361.db2.gz XBOKNOCMOYDVEL-UHFFFAOYSA-N -2 0 365.407 2.901 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cn1 ZINC000506722039 515964673 /nfs/dbraw/zinc/96/46/73/515964673.db2.gz MPYWVUNTUWVGTB-UHFFFAOYSA-N -2 0 350.396 2.713 20 0 FFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)o1 ZINC000547575709 516416317 /nfs/dbraw/zinc/41/63/17/516416317.db2.gz ZKIQOSPKPBAAHO-UHFFFAOYSA-N -2 0 373.770 2.609 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1OC ZINC000547616113 516439066 /nfs/dbraw/zinc/43/90/66/516439066.db2.gz YFIOURGYPGIMCF-UHFFFAOYSA-N -2 0 365.407 2.765 20 0 FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)CCc1ccccc1 ZINC000547937646 516643314 /nfs/dbraw/zinc/64/33/14/516643314.db2.gz CDAARZVWYNEUIV-UHFFFAOYSA-N -2 0 367.398 2.907 20 0 FFADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000548209751 516828921 /nfs/dbraw/zinc/82/89/21/516828921.db2.gz PDNKKDBYWCAUIV-UHFFFAOYSA-N -2 0 360.844 2.967 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(Br)o2)ccc1C(=O)[O-] ZINC000544726698 516896526 /nfs/dbraw/zinc/89/65/26/516896526.db2.gz XZHZUXWFKXYEJP-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC000532362486 516933704 /nfs/dbraw/zinc/93/37/04/516933704.db2.gz NPDMTTGMSDERQE-UHFFFAOYSA-N -2 0 353.421 2.881 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000548539105 517042671 /nfs/dbraw/zinc/04/26/71/517042671.db2.gz UOURTQFWVCHIDV-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1C(=O)[O-] ZINC000559149740 517102654 /nfs/dbraw/zinc/10/26/54/517102654.db2.gz MPTADHMRWZBBTF-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL Cc1csc(C2(NS(=O)(=O)c3cc(C(=O)[O-])sc3C)CCC2)n1 ZINC000520589774 517447485 /nfs/dbraw/zinc/44/74/85/517447485.db2.gz HJWHTGGRGYUPBB-UHFFFAOYSA-N -2 0 372.493 2.877 20 0 FFADRL Cc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)s1 ZINC000533625196 517549312 /nfs/dbraw/zinc/54/93/12/517549312.db2.gz HRKIAKJTWIHQIE-UHFFFAOYSA-N -2 0 356.425 2.738 20 0 FFADRL O=C([O-])c1csc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c1 ZINC000527322069 517639575 /nfs/dbraw/zinc/63/95/75/517639575.db2.gz DFQCAEJJJXZDPQ-WEVVVXLNSA-N -2 0 368.370 2.799 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)nn1-c1ccccc1 ZINC000538940305 517854774 /nfs/dbraw/zinc/85/47/74/517854774.db2.gz KKJAKCXQRMAOFW-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)ccc1C(=O)[O-] ZINC000567175939 518390157 /nfs/dbraw/zinc/39/01/57/518390157.db2.gz AMSGTWZJJMFRPQ-UHFFFAOYSA-N -2 0 367.427 2.588 20 0 FFADRL CC(=O)c1cccc([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c1O ZINC000579480276 518701258 /nfs/dbraw/zinc/70/12/58/518701258.db2.gz QMMKFXVANMHSJJ-UHFFFAOYSA-N -2 0 361.419 2.514 20 0 FFADRL Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1ccc(C(=O)[O-])cc1CO ZINC000565235633 518856214 /nfs/dbraw/zinc/85/62/14/518856214.db2.gz HMFZKSVDKVCUIR-UHFFFAOYSA-N -3 0 372.373 2.886 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc(OC)c1C ZINC000568159465 518899169 /nfs/dbraw/zinc/89/91/69/518899169.db2.gz SNGFJQPGHJYAJN-UHFFFAOYSA-N -2 0 371.436 2.881 20 0 FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)CCC(F)(F)F ZINC000574142382 519008144 /nfs/dbraw/zinc/00/81/44/519008144.db2.gz XSKJZABMRJNVII-UHFFFAOYSA-N -2 0 359.297 2.617 20 0 FFADRL Cc1csc(S(=O)(=O)NC[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000574253622 519062137 /nfs/dbraw/zinc/06/21/37/519062137.db2.gz KRJPGQFCVUUQFV-LBPRGKRZSA-N -2 0 373.883 2.932 20 0 FFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630424183 522837502 /nfs/dbraw/zinc/83/75/02/522837502.db2.gz QZRXFWDKIABWPQ-NWDGAFQWSA-N -2 0 353.421 2.746 20 0 FFADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)oc1C ZINC000624714202 522875151 /nfs/dbraw/zinc/87/51/51/522875151.db2.gz KPFXRAPTXHFJLI-UHFFFAOYSA-N -2 0 361.379 2.786 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N=c3[n-]ncn3C3CC3)n2)c1 ZINC000513637843 561945504 /nfs/dbraw/zinc/94/55/04/561945504.db2.gz NAYMZHGECYAMIV-UHFFFAOYSA-N -2 0 352.398 2.880 20 0 FFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC000736549516 599797191 /nfs/dbraw/zinc/79/71/91/599797191.db2.gz WFRWVJCDTRYESF-JTQLQIEISA-N -2 0 359.469 2.858 20 0 FFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C(=O)[O-])s1 ZINC000737679550 599813558 /nfs/dbraw/zinc/81/35/58/599813558.db2.gz ATRJBJVXDBBVGP-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000737275602 599813979 /nfs/dbraw/zinc/81/39/79/599813979.db2.gz ZVTHJRZSXLKUFN-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000740147080 600052209 /nfs/dbraw/zinc/05/22/09/600052209.db2.gz YUEWXHJXGZHDOC-UHFFFAOYSA-N -2 0 356.400 2.660 20 0 FFADRL CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1F ZINC000325059413 600104847 /nfs/dbraw/zinc/10/48/47/600104847.db2.gz SMPIQIDUUFXEKE-UHFFFAOYSA-N -2 0 356.375 2.762 20 0 FFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1C(=O)[O-] ZINC000738828565 600229365 /nfs/dbraw/zinc/22/93/65/600229365.db2.gz GEMJDLZNETWUPP-UHFFFAOYSA-N -2 0 363.367 2.532 20 0 FFADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737834536 600232209 /nfs/dbraw/zinc/23/22/09/600232209.db2.gz FUHDPVUNIHFSOH-UHFFFAOYSA-N -2 0 357.334 2.610 20 0 FFADRL Cc1cccc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1C(=O)[O-] ZINC000738746154 600236444 /nfs/dbraw/zinc/23/64/44/600236444.db2.gz VCKZSWIVVPCLHK-UHFFFAOYSA-N -2 0 374.374 2.674 20 0 FFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CC/C=C/c2ccccc2)cc1 ZINC000739233244 600511711 /nfs/dbraw/zinc/51/17/11/600511711.db2.gz AHQBDWLUNSFUFV-XBXARRHUSA-N -2 0 373.430 2.824 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)ccc1Br ZINC000096703766 600576055 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20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000832899944 600827653 /nfs/dbraw/zinc/82/76/53/600827653.db2.gz VROKRLHDCRWGKV-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1Br ZINC000097992171 600829117 /nfs/dbraw/zinc/82/91/17/600829117.db2.gz JMZJICVDWFTVIB-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737221949 600890755 /nfs/dbraw/zinc/89/07/55/600890755.db2.gz GDLMXFBFVYGUTA-UHFFFAOYSA-N -2 0 356.787 2.633 20 0 FFADRL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000830001474 600955052 /nfs/dbraw/zinc/95/50/52/600955052.db2.gz ZSAWFECCGLROBY-LLVKDONJSA-N -2 0 366.439 2.706 20 0 FFADRL CCOc1ccc2nc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)sc2c1 ZINC000324018426 600974265 /nfs/dbraw/zinc/97/42/65/600974265.db2.gz LIXISICWWNOUNO-UHFFFAOYSA-N -2 0 367.408 2.522 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(-c2ccccc2)n1 ZINC000832899832 600974940 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FFADRL O=C([O-])C[C@H]1CN(C(=O)CSc2n[n-]c(=S)s2)c2ccccc21 ZINC000833217322 601289688 /nfs/dbraw/zinc/28/96/88/601289688.db2.gz OADLJCOTMYDNFO-QMMMGPOBSA-N -2 0 367.477 2.524 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)c2n[nH]cc21 ZINC000832952836 601327740 /nfs/dbraw/zinc/32/77/40/601327740.db2.gz CXLGWEKEBOZBLT-WEVVVXLNSA-N -2 0 357.391 2.770 20 0 FFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000729666733 601329943 /nfs/dbraw/zinc/32/99/43/601329943.db2.gz XQLRYPSYBILKII-UHFFFAOYSA-N -2 0 369.370 2.732 20 0 FFADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCc3ccc(C(=O)[O-])cc3)n2)c1 ZINC000832935716 601387064 /nfs/dbraw/zinc/38/70/64/601387064.db2.gz KOADRBOOXRMFIF-UHFFFAOYSA-N -2 0 369.352 2.654 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C(=O)[O-])C3)n2)c1 ZINC000737646705 601756161 /nfs/dbraw/zinc/75/61/61/601756161.db2.gz JGCXRPPKBSUGEA-CQSZACIVSA-N -2 0 357.410 2.638 20 0 FFADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000321751020 601771079 /nfs/dbraw/zinc/77/10/79/601771079.db2.gz MJZRPZFOZXZMLD-UHFFFAOYSA-N -2 0 358.416 2.799 20 0 FFADRL Cc1ccc2c(=O)c(C(=O)Nc3nc(CCCC(=O)[O-])cs3)c[n-]c2n1 ZINC000832961841 601802198 /nfs/dbraw/zinc/80/21/98/601802198.db2.gz LSJSOCMYEPIDOD-UHFFFAOYSA-N -2 0 372.406 2.760 20 0 FFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000833346428 601832993 /nfs/dbraw/zinc/83/29/93/601832993.db2.gz PHABHJMFNHCVRS-UHFFFAOYSA-N -2 0 360.416 2.894 20 0 FFADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000830049816 601835971 /nfs/dbraw/zinc/83/59/71/601835971.db2.gz QIMKCCNHMYAGKO-UHFFFAOYSA-N -2 0 374.777 2.772 20 0 FFADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)n[nH]1 ZINC000829217010 602102485 /nfs/dbraw/zinc/10/24/85/602102485.db2.gz WDJCSMKJPMSYNJ-MRVPVSSYSA-N -2 0 373.456 2.882 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n[nH]c1C1CC1 ZINC000832853075 602103134 /nfs/dbraw/zinc/10/31/34/602103134.db2.gz CAIBHDHFOBNJEY-UHFFFAOYSA-N -2 0 355.803 2.748 20 0 FFADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000832887012 602158886 /nfs/dbraw/zinc/15/88/86/602158886.db2.gz QXXIYIIIRMJRIW-UHFFFAOYSA-N -2 0 362.741 2.821 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])c1 ZINC000833317233 602296327 /nfs/dbraw/zinc/29/63/27/602296327.db2.gz PCEFXHDXGIHOMJ-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740265517 602646467 /nfs/dbraw/zinc/64/64/67/602646467.db2.gz RNVHPOBXBHAMNG-UHFFFAOYSA-N -2 0 351.384 2.523 20 0 FFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000739924624 602652746 /nfs/dbraw/zinc/65/27/46/602652746.db2.gz SVVWFJIPAVFBQK-UHFFFAOYSA-N -2 0 364.379 2.789 20 0 FFADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000740715361 602653365 /nfs/dbraw/zinc/65/33/65/602653365.db2.gz KEFBFIOPNGAKBC-UHFFFAOYSA-N -2 0 366.786 2.878 20 0 FFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)c1 ZINC000739793441 602654686 /nfs/dbraw/zinc/65/46/86/602654686.db2.gz OHDZECIRVDZHBB-UHFFFAOYSA-N -2 0 374.371 2.565 20 0 FFADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739059394 602779137 /nfs/dbraw/zinc/77/91/37/602779137.db2.gz OTXXGBHKUOFEHW-LBPRGKRZSA-N -2 0 362.407 2.526 20 0 FFADRL Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000740175953 602958522 /nfs/dbraw/zinc/95/85/22/602958522.db2.gz WBNUSIRGNIGHRL-UHFFFAOYSA-N -2 0 368.798 2.857 20 0 FFADRL C[C@H](NC(=O)[O-])c1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000825416505 603395569 /nfs/dbraw/zinc/39/55/69/603395569.db2.gz KXWKQXFJDIILOK-MGPLVRAMSA-N -2 0 352.412 2.552 20 0 FFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)c1C ZINC000827718385 603400406 /nfs/dbraw/zinc/40/04/06/603400406.db2.gz ZGXUXUJURNLRRI-JTQLQIEISA-N -2 0 366.443 2.649 20 0 FFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000830727681 603501808 /nfs/dbraw/zinc/50/18/08/603501808.db2.gz MNFXBWYTIOBZQD-UHFFFAOYSA-N -2 0 367.452 2.991 20 0 FFADRL O=C([O-])NCc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000832730914 603839855 /nfs/dbraw/zinc/83/98/55/603839855.db2.gz XGCVXJVRQLNVGB-UHFFFAOYSA-N -2 0 370.340 2.737 20 0 FFADRL O=C([O-])Nc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1Cl)OCO2 ZINC000832829186 603889394 /nfs/dbraw/zinc/88/93/94/603889394.db2.gz PAGFQGREGGLZJU-UHFFFAOYSA-N -2 0 370.770 2.959 20 0 FFADRL CC1(C)CCC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000833561540 604609320 /nfs/dbraw/zinc/60/93/20/604609320.db2.gz QIPSWDREQLANHN-AWEZNQCLSA-N -2 0 367.467 2.937 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000677235099 604769548 /nfs/dbraw/zinc/76/95/48/604769548.db2.gz ZFXGLUASOOTWEQ-UHFFFAOYSA-N -3 0 373.745 2.676 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)c(OC)c1C(=O)[O-] ZINC000833734385 604859194 /nfs/dbraw/zinc/85/91/94/604859194.db2.gz AUGWGHODDCPQIA-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL CC1(C)Cc2cc(S(=O)(=O)[N-]c3sccc3C(=O)[O-])ccc2O1 ZINC000833562117 605204144 /nfs/dbraw/zinc/20/41/44/605204144.db2.gz IODFPNCJDIVLPV-UHFFFAOYSA-N -2 0 353.421 2.961 20 0 FFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000833733817 605240228 /nfs/dbraw/zinc/24/02/28/605240228.db2.gz RKVNPGHFJOJOKZ-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000833747635 605343992 /nfs/dbraw/zinc/34/39/92/605343992.db2.gz AXQODFGQVIKYNW-UHFFFAOYSA-N -2 0 364.427 2.591 20 0 FFADRL O=C([O-])Nc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000834254786 606050923 /nfs/dbraw/zinc/05/09/23/606050923.db2.gz DDYREOGMHKWNJG-MRXNPFEDSA-N -2 0 367.361 2.684 20 0 FFADRL O=C([O-])N[C@@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)Cc1ccccc1 ZINC000834128550 606056029 /nfs/dbraw/zinc/05/60/29/606056029.db2.gz LMEUMEQCIYVCJJ-CYBMUJFWSA-N -2 0 360.341 2.731 20 0 FFADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000834167558 606060197 /nfs/dbraw/zinc/06/01/97/606060197.db2.gz CFKPQKPEKXDUBD-VHSXEESVSA-N -2 0 362.407 2.652 20 0 FFADRL O=C([O-])CCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])cc1 ZINC000834060968 606063844 /nfs/dbraw/zinc/06/38/44/606063844.db2.gz ZBIDTAWCLFBICO-MRXNPFEDSA-N -2 0 356.378 2.521 20 0 FFADRL O=C([O-])CCC1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])CC1 ZINC000834059362 606113395 /nfs/dbraw/zinc/11/33/95/606113395.db2.gz JMWNZEYIEQAZAP-CABCVRRESA-N -2 0 354.447 2.696 20 0 FFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000746055451 735460406 /nfs/dbraw/zinc/46/04/06/735460406.db2.gz LWSUQLAOXDSEKP-UHFFFAOYSA-N -2 0 373.770 2.527 20 0 FFADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000013341564 727816287 /nfs/dbraw/zinc/81/62/87/727816287.db2.gz VQMASGAMBGKSFZ-UHFFFAOYSA-N -2 0 368.798 2.797 20 0 FFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(F)c1 ZINC000032596982 727924088 /nfs/dbraw/zinc/92/40/88/727924088.db2.gz BQTRVEMMYFTMDY-UHFFFAOYSA-N -2 0 366.370 2.592 20 0 FFADRL CCCn1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cn1 ZINC000181273746 729239754 /nfs/dbraw/zinc/23/97/54/729239754.db2.gz YNWFTSVBNLNHIG-UHFFFAOYSA-N -2 0 365.455 2.646 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c(C)c1O ZINC000325860893 729759575 /nfs/dbraw/zinc/75/95/75/729759575.db2.gz WKAFAKGRNNJNJU-UHFFFAOYSA-N -2 0 357.334 2.786 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000326345718 729789784 /nfs/dbraw/zinc/78/97/84/729789784.db2.gz MOLNCQFZTBIRJA-UHFFFAOYSA-N -2 0 354.315 2.541 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1C(=O)[O-] ZINC000327353932 729792901 /nfs/dbraw/zinc/79/29/01/729792901.db2.gz FYYWWMSZXRRZLX-UHFFFAOYSA-N -2 0 361.379 2.662 20 0 FFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000472793577 729905095 /nfs/dbraw/zinc/90/50/95/729905095.db2.gz QVTOUERWMKIRDS-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1C(=O)[O-] ZINC000504267778 729924400 /nfs/dbraw/zinc/92/44/00/729924400.db2.gz PBMVTVRXJKRYNQ-UHFFFAOYSA-N -2 0 361.379 2.662 20 0 FFADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)c1 ZINC000656631915 731615565 /nfs/dbraw/zinc/61/55/65/731615565.db2.gz QZUGYHMRJALBCD-KRWDZBQOSA-N -2 0 355.456 2.932 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1 ZINC000676560084 733870650 /nfs/dbraw/zinc/87/06/50/733870650.db2.gz RWESHYVUNXQTES-UHFFFAOYSA-N -2 0 371.321 2.832 20 0 FFADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000685902302 734351102 /nfs/dbraw/zinc/35/11/02/734351102.db2.gz CEGVWBQVZUCNRO-UHFFFAOYSA-N -2 0 366.342 2.969 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000783849900 738841910 /nfs/dbraw/zinc/84/19/10/738841910.db2.gz RCKLVGKRICUSOZ-JTQLQIEISA-N -2 0 367.402 2.801 20 0 FFADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753781438 736094171 /nfs/dbraw/zinc/09/41/71/736094171.db2.gz ZPOIIBAKJIELHZ-UHFFFAOYSA-N -2 0 370.814 2.859 20 0 FFADRL O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)CC2CC(F)(F)C2)c1 ZINC000903522718 736107361 /nfs/dbraw/zinc/10/73/61/736107361.db2.gz MAHLATGLXCUHEB-UHFFFAOYSA-N -2 0 356.350 2.720 20 0 FFADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)s1 ZINC000777659715 738311220 /nfs/dbraw/zinc/31/12/20/738311220.db2.gz FVTUNHRZFPMXDD-UHFFFAOYSA-N -2 0 358.416 2.960 20 0 FFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000793406323 739778165 /nfs/dbraw/zinc/77/81/65/739778165.db2.gz RLGVFBFDINDVQY-UHFFFAOYSA-N -2 0 355.391 2.654 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)cc(C(=O)[O-])c1F ZINC000794593812 739908240 /nfs/dbraw/zinc/90/82/40/739908240.db2.gz LBVYWMHYWACBEF-UHFFFAOYSA-N -2 0 367.402 2.622 20 0 FFADRL CCCn1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cn1 ZINC000794864427 739936905 /nfs/dbraw/zinc/93/69/05/739936905.db2.gz FCIBZMYIYCSVDB-UHFFFAOYSA-N -2 0 357.819 2.754 20 0 FFADRL COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000797817323 740275482 /nfs/dbraw/zinc/27/54/82/740275482.db2.gz RWRJNZIUXBSIDR-UHFFFAOYSA-N -2 0 370.408 2.734 20 0 FFADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1O ZINC000821101842 742588253 /nfs/dbraw/zinc/58/82/53/742588253.db2.gz GVLXEPMCCVXSKP-UHFFFAOYSA-N -2 0 369.782 2.747 20 0 FFADRL CS(C)(=O)=Nc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000821107091 742589111 /nfs/dbraw/zinc/58/91/11/742589111.db2.gz TUMDIXMCIQAZHK-UHFFFAOYSA-N -2 0 374.465 2.606 20 0 FFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000394908227 845863473 /nfs/dbraw/zinc/86/34/73/845863473.db2.gz VOQGRLKVQBBGPJ-UHFFFAOYSA-N -2 0 369.345 2.789 20 0 FFADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000327109307 971367725 /nfs/dbraw/zinc/36/77/25/971367725.db2.gz YUVAODXHKOJZPW-UHFFFAOYSA-N -2 0 365.382 2.751 20 0 FFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1C#N ZINC000327635126 971414114 /nfs/dbraw/zinc/41/41/14/971414114.db2.gz QTNIXSCTWPUHJJ-UHFFFAOYSA-N -2 0 356.403 2.784 20 0 FFADRL O=C([O-])c1cccc(CNC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c1 ZINC001595244501 949499927 /nfs/dbraw/zinc/49/99/27/949499927.db2.gz RJOBHIGLDNNFOQ-UHFFFAOYSA-N -2 0 371.780 2.860 20 0 FFADRL O=C([O-])C1CCC(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CC1 ZINC001594730283 957033329 /nfs/dbraw/zinc/03/33/29/957033329.db2.gz ACOLLMLTZMCQLD-UHFFFAOYSA-N -2 0 363.801 2.605 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)ccc1Br ZINC000128249482 958648706 /nfs/dbraw/zinc/64/87/06/958648706.db2.gz SRGFWYAPIDNPSS-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cc1F ZINC000392219707 972429433 /nfs/dbraw/zinc/42/94/33/972429433.db2.gz JPLJWHZRFDPZCN-UHFFFAOYSA-N -2 0 374.733 2.886 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cncc(Br)c2)ccc1C(=O)[O-] ZINC000314008396 963699914 /nfs/dbraw/zinc/69/99/14/963699914.db2.gz USQXRXFTQOROCC-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL CN(c1cc(C(=O)[O-])cc(C(=O)[O-])c1)c1ncc(C(F)(F)F)cc1N ZINC001176236864 1013656144 /nfs/dbraw/zinc/65/61/44/1013656144.db2.gz BNFGMCQQYSLFHK-UHFFFAOYSA-N -2 0 355.272 2.847 20 0 FFADRL C[C@H]1CC(=O)NN=C1c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176242399 1013657174 /nfs/dbraw/zinc/65/71/74/1013657174.db2.gz WFNPHWQKSHGKEW-JTQLQIEISA-N -2 0 367.361 2.687 20 0 FFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000396652340 972930688 /nfs/dbraw/zinc/93/06/88/972930688.db2.gz UUYUZSTUHUJXNB-LLVKDONJSA-N -2 0 365.407 2.693 20 0 FFADRL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001606056235 973167739 /nfs/dbraw/zinc/16/77/39/973167739.db2.gz PEFTZEIUWUKRRF-OAHLLOKOSA-N -2 0 354.387 2.941 20 0 FFADRL O=C([O-])C[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC001606306249 973716424 /nfs/dbraw/zinc/71/64/24/973716424.db2.gz RPKKCDKMACTVDD-GFCCVEGCSA-N -2 0 368.183 2.727 20 0 FFADRL O=C([O-])c1ccnc(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c1 ZINC001606533938 974053521 /nfs/dbraw/zinc/05/35/21/974053521.db2.gz POPYMDMFGSNAAX-UHFFFAOYSA-N -2 0 358.741 2.577 20 0 FFADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001591767587 975882633 /nfs/dbraw/zinc/88/26/33/975882633.db2.gz PUDSSNSHXLUJJY-ZDUSSCGKSA-N -2 0 364.398 2.794 20 0 FFADRL C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC001592606420 978554932 /nfs/dbraw/zinc/55/49/32/978554932.db2.gz ZNCXAWYFTZMIHV-CQSZACIVSA-N -2 0 371.389 2.513 20 0 FFADRL CCCCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC001595680791 982157362 /nfs/dbraw/zinc/15/73/62/982157362.db2.gz IHMDXAQQISRNKY-ZDUSSCGKSA-N -2 0 363.389 2.789 20 0 FFADRL CCCN(Cc1nc(C(=O)[O-])cs1)Cc1nc(=O)c2sccc2[n-]1 ZINC001595890735 982921471 /nfs/dbraw/zinc/92/14/71/982921471.db2.gz BEHFGAMOJYEWHZ-UHFFFAOYSA-N -2 0 364.452 2.964 20 0 FFADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)cc1 ZINC001595013192 982944937 /nfs/dbraw/zinc/94/49/37/982944937.db2.gz AWDVUBXQBYFISH-LLVKDONJSA-N -2 0 351.428 2.590 20 0 FFADRL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)cc1 ZINC001595013193 982945178 /nfs/dbraw/zinc/94/51/78/982945178.db2.gz AWDVUBXQBYFISH-NSHDSACASA-N -2 0 351.428 2.590 20 0 FFADRL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC001596706989 984912964 /nfs/dbraw/zinc/91/29/64/984912964.db2.gz UWRXQRWHWYAYFA-UHFFFAOYSA-N -2 0 373.383 2.563 20 0 FFADRL CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001596733053 985013801 /nfs/dbraw/zinc/01/38/01/985013801.db2.gz STLQBVKAURTLFI-UHFFFAOYSA-N -2 0 373.383 2.563 20 0 FFADRL C[C@@H]1CN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC[C@@H]1C(=O)[O-] ZINC001594487136 985572514 /nfs/dbraw/zinc/57/25/14/985572514.db2.gz OMBIEZJNVSJDHG-ZJUUUORDSA-N -2 0 366.439 2.900 20 0 FFADRL CC(C)Cn1cnc2c1c1ccccc1nc2NCCOP(=O)([O-])[O-] ZINC001168587054 985635579 /nfs/dbraw/zinc/63/55/79/985635579.db2.gz NXHUXSDFWMGHHS-UHFFFAOYSA-N -2 0 364.342 2.762 20 0 FFADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2cc(C(F)(F)F)ccc21 ZINC001168587945 985642892 /nfs/dbraw/zinc/64/28/92/985642892.db2.gz WHLSXBLTSBAPSJ-UHFFFAOYSA-N -2 0 371.639 2.823 20 0 FFADRL Cc1c(C)c(-c2ccc(Cl)cc2)nnc1NCCOP(=O)([O-])[O-] ZINC001168590183 985666632 /nfs/dbraw/zinc/66/66/32/985666632.db2.gz UPHZMUHDTIZLEN-UHFFFAOYSA-N -2 0 357.734 2.935 20 0 FFADRL CCCOc1c(Br)cc(F)cc1NCCOP(=O)([O-])[O-] ZINC001168594802 985722684 /nfs/dbraw/zinc/72/26/84/985722684.db2.gz BFVSIHOUBVOLJL-UHFFFAOYSA-N -2 0 372.127 2.898 20 0 FFADRL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001597179914 987040861 /nfs/dbraw/zinc/04/08/61/987040861.db2.gz NBVVPGDBTJHQLX-UHFFFAOYSA-N -2 0 351.380 2.593 20 0 FFADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2c(C)nn(CC)c2C)s1 ZINC001597444760 987814169 /nfs/dbraw/zinc/81/41/69/987814169.db2.gz AHGYDJKJUVBOQG-UHFFFAOYSA-N -2 0 357.457 2.643 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC2=O ZINC001597790498 989312379 /nfs/dbraw/zinc/31/23/79/989312379.db2.gz FRHSRPJKDQYBJS-UHFFFAOYSA-N -2 0 363.391 2.860 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC001597790785 989315455 /nfs/dbraw/zinc/31/54/55/989315455.db2.gz JIPWTICCSJMZRE-UHFFFAOYSA-N -2 0 364.301 2.755 20 0 FFADRL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)cc1 ZINC001590989577 991201014 /nfs/dbraw/zinc/20/10/14/991201014.db2.gz LXXVQJRSNJJWKU-LBPRGKRZSA-N -2 0 372.830 2.744 20 0 FFADRL CN(C)c1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001598300767 991248767 /nfs/dbraw/zinc/24/87/67/991248767.db2.gz AXDBRCDOSMTSQL-UHFFFAOYSA-N -2 0 356.350 2.530 20 0 FFADRL CN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598519594 992662906 /nfs/dbraw/zinc/66/29/06/992662906.db2.gz ZFMBVMUYSRYVGG-SFHVURJKSA-N -2 0 372.421 2.838 20 0 FFADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1C(C)C ZINC001591533519 992711078 /nfs/dbraw/zinc/71/10/78/992711078.db2.gz KQHJATQOPPHIQK-UHFFFAOYSA-N -2 0 366.443 2.557 20 0 FFADRL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC001593776995 996481924 /nfs/dbraw/zinc/48/19/24/996481924.db2.gz QBEZYJDCZGTPIF-QGZVFWFLSA-N -2 0 363.801 2.558 20 0 FFADRL COc1cc(C)c(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001599390582 997027678 /nfs/dbraw/zinc/02/76/78/997027678.db2.gz DXAFULQUTXULEX-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC001599292844 997090506 /nfs/dbraw/zinc/09/05/06/997090506.db2.gz JBTIOJAHXRMRRD-UHFFFAOYSA-N -2 0 370.452 2.912 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2CCC2)cn1 ZINC001599502958 997159661 /nfs/dbraw/zinc/15/96/61/997159661.db2.gz GEYWECQTOCOASE-UHFFFAOYSA-N -2 0 362.407 2.857 20 0 FFADRL COc1c(F)cccc1S(=O)(=O)[N-]c1nc(C2CC2)c(C(=O)[O-])s1 ZINC001599335596 997830355 /nfs/dbraw/zinc/83/03/55/997830355.db2.gz MSAXXMOHLUAFCR-UHFFFAOYSA-N -2 0 372.399 2.667 20 0 FFADRL COc1c(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cccc1C(=O)[O-] ZINC001599338174 997875433 /nfs/dbraw/zinc/87/54/33/997875433.db2.gz ZFKFDYCBTKBHLI-UHFFFAOYSA-N -2 0 369.373 2.592 20 0 FFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)s1 ZINC001598948779 998107457 /nfs/dbraw/zinc/10/74/57/998107457.db2.gz GVUJQOONIGCPIY-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)ccc1C(=O)[O-] ZINC001599459982 998254641 /nfs/dbraw/zinc/25/46/41/998254641.db2.gz RLZBHTLAGHNPQB-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL COc1cc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)ccc1C(=O)[O-] ZINC001599460282 998260473 /nfs/dbraw/zinc/26/04/73/998260473.db2.gz XXOKLSYDKGCJID-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL COC(=O)c1ccc(C(=O)[O-])c(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC001598960915 998329537 /nfs/dbraw/zinc/32/95/37/998329537.db2.gz DROBUKOWCGNQRV-UHFFFAOYSA-N -2 0 363.366 2.535 20 0 FFADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C[C@@H]1C ZINC001594295298 999135750 /nfs/dbraw/zinc/13/57/50/999135750.db2.gz GLKWGVJJJXLRII-OUAUKWLOSA-N -2 0 373.858 2.915 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)no2)cc1C(=O)[O-] ZINC001185270672 1002894322 /nfs/dbraw/zinc/89/43/22/1002894322.db2.gz BXDSZWYTEDRAOY-UHFFFAOYSA-N -2 0 374.374 2.849 20 0 FFADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1OC ZINC001185868915 1003102239 /nfs/dbraw/zinc/10/22/39/1003102239.db2.gz CMAWNFMBWXTEAS-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL COc1cccc(OC)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185905973 1003110138 /nfs/dbraw/zinc/11/01/38/1003110138.db2.gz IDJUCTOVXLBDBM-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccncc2)no1 ZINC001185877444 1003113285 /nfs/dbraw/zinc/11/32/85/1003113285.db2.gz LWWPEYIBEZDATG-UHFFFAOYSA-N -2 0 359.363 2.544 20 0 FFADRL COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186187922 1003210318 /nfs/dbraw/zinc/21/03/18/1003210318.db2.gz CLUNTZYEOHUBSP-UHFFFAOYSA-N -2 0 367.354 2.536 20 0 FFADRL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cn1 ZINC001196061169 1003646452 /nfs/dbraw/zinc/64/64/52/1003646452.db2.gz UESMCHFCZNJRDN-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL Cc1nc2c(cccc2[N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)o1 ZINC001192139160 1004077298 /nfs/dbraw/zinc/07/72/98/1004077298.db2.gz IJZKMZMVERVMFF-UHFFFAOYSA-N -2 0 360.391 2.954 20 0 FFADRL CCOc1ccc(S(=O)(=O)Nc2ccc(CC)nc2)cc1C(=O)[O-] ZINC001192609186 1004214763 /nfs/dbraw/zinc/21/47/63/1004214763.db2.gz VHDGJGYFOQAWKL-UHFFFAOYSA-N -2 0 350.396 2.542 20 0 FFADRL CCOc1ccc(S(=O)(=O)Nc2ccc([S-])cc2)cc1C(=O)[O-] ZINC001192639747 1004229450 /nfs/dbraw/zinc/22/94/50/1004229450.db2.gz IKUURJCCRVEFQT-UHFFFAOYSA-N -2 0 353.421 2.873 20 0 FFADRL Cc1ccc2nc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc2c1 ZINC001192682946 1004236565 /nfs/dbraw/zinc/23/65/65/1004236565.db2.gz GSKOJXWGLKTPJQ-UHFFFAOYSA-N -2 0 372.402 2.807 20 0 FFADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)on1 ZINC001192682962 1004236978 /nfs/dbraw/zinc/23/69/78/1004236978.db2.gz HYMDLIIJASNDPF-LLVKDONJSA-N -2 0 368.411 2.842 20 0 FFADRL Cc1ncc(S(=O)(=O)[N-]c2ccc([C@H](C(=O)[O-])C(C)(C)C)cc2)n1C ZINC001198403475 1004606749 /nfs/dbraw/zinc/60/67/49/1004606749.db2.gz FAPRXVQQBGOBPN-OAHLLOKOSA-N -2 0 365.455 2.744 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(OC)cc1Cl ZINC001198730316 1004713867 /nfs/dbraw/zinc/71/38/67/1004713867.db2.gz LDFQPFSETNBODO-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ocnc32)c(F)cc1F ZINC001195235157 1004913018 /nfs/dbraw/zinc/91/30/18/1004913018.db2.gz ZFVSTGHBGGSPPI-UHFFFAOYSA-N -2 0 354.290 2.605 20 0 FFADRL CC(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC001195195447 1004914023 /nfs/dbraw/zinc/91/40/23/1004914023.db2.gz ZBURNLOCXAKPPX-UHFFFAOYSA-N -2 0 356.350 2.982 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cnoc32)c(F)cc1F ZINC001195237856 1004930460 /nfs/dbraw/zinc/93/04/60/1004930460.db2.gz KZZFKRBYXROADS-UHFFFAOYSA-N -2 0 354.290 2.605 20 0 FFADRL CCOc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187553268 1006141769 /nfs/dbraw/zinc/14/17/69/1006141769.db2.gz MBVXYLJLAXRPME-UHFFFAOYSA-N -2 0 356.787 2.633 20 0 FFADRL Cn1cnc2c1cccc2[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187589196 1006144931 /nfs/dbraw/zinc/14/49/31/1006144931.db2.gz GGFGTPOOUDTQKQ-UHFFFAOYSA-N -2 0 365.798 2.726 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3o[nH]c(=O)c3c2)c1 ZINC001187582128 1006163586 /nfs/dbraw/zinc/16/35/86/1006163586.db2.gz QZDZMKYXHINQNA-UHFFFAOYSA-N -2 0 368.754 2.686 20 0 FFADRL O=C(NCCOP(=O)([O-])[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001188234644 1006480717 /nfs/dbraw/zinc/48/07/17/1006480717.db2.gz PHTHNEXPCFPQFT-UHFFFAOYSA-N -2 0 362.628 2.590 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncnc3sccc32)ccc1Cl ZINC001188273091 1006496713 /nfs/dbraw/zinc/49/67/13/1006496713.db2.gz ZLBIKANVLYDLTI-UHFFFAOYSA-N -2 0 369.811 2.844 20 0 FFADRL CCOc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC001188279763 1006500340 /nfs/dbraw/zinc/50/03/40/1006500340.db2.gz NVUSQNPUYJSOFM-UHFFFAOYSA-N -2 0 374.777 2.772 20 0 FFADRL CC1C[C@H](C(=O)[N-]Oc2ccccc2)[C@@H](C(=O)[N-]Oc2ccccc2)C1 ZINC000854536284 1006879239 /nfs/dbraw/zinc/87/92/39/1006879239.db2.gz GYCKDDINWJWFFE-ROUUACIJSA-N -2 0 354.406 2.869 20 0 FFADRL O=C(Nc1c(Cl)cnnc1Cl)c1ccccc1OP(=O)([O-])[O-] ZINC001189871379 1007315568 /nfs/dbraw/zinc/31/55/68/1007315568.db2.gz NLCZOFGKRMBVNH-UHFFFAOYSA-N -2 0 364.081 2.507 20 0 FFADRL Cc1cccc(C(C)(C)CNC(=O)c2ccccc2OP(=O)([O-])[O-])n1 ZINC001189899595 1007366023 /nfs/dbraw/zinc/36/60/23/1007366023.db2.gz QNTZKNRQNWPMKC-UHFFFAOYSA-N -2 0 364.338 2.569 20 0 FFADRL Cc1ccc(CCCNC(=O)c2ccccc2OP(=O)([O-])[O-])s1 ZINC001189899991 1007367432 /nfs/dbraw/zinc/36/74/32/1007367432.db2.gz MGDVDRHYQQPXRU-UHFFFAOYSA-N -2 0 355.352 2.891 20 0 FFADRL CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccc(F)c(C)c1 ZINC001154296239 1028226689 /nfs/dbraw/zinc/22/66/89/1028226689.db2.gz QFKUEPKJCDLAIT-UHFFFAOYSA-N -2 0 356.357 2.859 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2S(=O)(=O)[O-])cc1 ZINC001252184813 1039452793 /nfs/dbraw/zinc/45/27/93/1039452793.db2.gz YXXRVJKEJIIOIL-UHFFFAOYSA-N -2 0 361.828 2.696 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn3ccccc23)c(F)cc1Cl ZINC001259214221 1039807157 /nfs/dbraw/zinc/80/71/57/1039807157.db2.gz IDWWIFBDNPSMEM-UHFFFAOYSA-N -2 0 369.761 2.626 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)c(F)cc1Cl ZINC001259219067 1039811160 /nfs/dbraw/zinc/81/11/60/1039811160.db2.gz QBGGQUUSXOTYTO-UHFFFAOYSA-N -2 0 363.725 2.823 20 0 FFADRL Cc1c(CO)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220207 1039813923 /nfs/dbraw/zinc/81/39/23/1039813923.db2.gz ZMQQLPXWKRIRNY-UHFFFAOYSA-N -2 0 373.789 2.779 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2O)c1 ZINC001260189853 1040446946 /nfs/dbraw/zinc/44/69/46/1040446946.db2.gz KOUSXGMDSFKEPV-UHFFFAOYSA-N -2 0 361.297 2.910 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nc3c(cccc3O)s2)c1 ZINC001260207939 1040462125 /nfs/dbraw/zinc/46/21/25/1040462125.db2.gz BVZWZVPUWSGQFT-UHFFFAOYSA-N -2 0 368.367 2.640 20 0 FFADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3c(F)cc(F)cc3F)cc2)[n-]1 ZINC001260354480 1040552244 /nfs/dbraw/zinc/55/22/44/1040552244.db2.gz LGCKSJSYGHVFMD-UHFFFAOYSA-N -2 0 369.324 2.796 20 0 FFADRL CC(C)(C)OC(=O)N[C@@H](CCCCn1cc(C2=CC=C[CH]2)nn1)C(=O)[O-] ZINC001254084038 1040562676 /nfs/dbraw/zinc/56/26/76/1040562676.db2.gz BVRKKJNFHQCCPR-AWEZNQCLSA-N -2 0 361.422 2.584 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)no2)ccc1O ZINC001260393413 1040577304 /nfs/dbraw/zinc/57/73/04/1040577304.db2.gz IILFUPLNPIICKF-UHFFFAOYSA-N -2 0 366.376 2.608 20 0 FFADRL O=S(=O)([N-]c1cnc2nccn2c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260871249 1040860350 /nfs/dbraw/zinc/86/03/50/1040860350.db2.gz LMXOMBFCBLVRTG-UHFFFAOYSA-N -2 0 359.194 2.543 20 0 FFADRL Cc1c(F)cccc1-c1noc(-c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001215454251 1041789111 /nfs/dbraw/zinc/78/91/11/1041789111.db2.gz PYGDHSGYHUHTRQ-UHFFFAOYSA-N -2 0 350.327 2.803 20 0 FFADRL CCOC(=O)c1cc2cccnc2nc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159559 1044691823 /nfs/dbraw/zinc/69/18/23/1044691823.db2.gz RZMXUDTUABXTOU-UHFFFAOYSA-N -2 0 366.329 2.870 20 0 FFADRL CCOC(=O)c1cn2c(cccc2-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242162124 1044692900 /nfs/dbraw/zinc/69/29/00/1044692900.db2.gz PDPRFUTXBJLJDB-UHFFFAOYSA-N -2 0 354.318 2.574 20 0 FFADRL COc1cccc(-n2cccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2=O)c1 ZINC001242163610 1044692906 /nfs/dbraw/zinc/69/29/06/1044692906.db2.gz BYDKBWJMXMTVBK-UHFFFAOYSA-N -2 0 365.341 2.910 20 0 FFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3nnc(C(F)(F)F)n3c2)c1 ZINC001242162444 1044692993 /nfs/dbraw/zinc/69/29/93/1044692993.db2.gz GFZMQINPTAMQIX-UHFFFAOYSA-N -2 0 351.240 2.812 20 0 FFADRL O=S(=O)([N-]c1nccs1)c1ccc(-c2cc(F)c([O-])c(F)c2)nc1 ZINC001244091939 1045078384 /nfs/dbraw/zinc/07/83/84/1045078384.db2.gz NNVVUMWUKUARPI-UHFFFAOYSA-N -2 0 369.374 2.990 20 0 FFADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ncc2ccccc2c1[O-] ZINC001467397791 1063734075 /nfs/dbraw/zinc/73/40/75/1063734075.db2.gz NABYQXXMUKWWGH-UHFFFAOYSA-N -2 0 361.361 2.992 20 0 FFADRL O=C([O-])c1ccccc1CNC(=O)c1cc(Br)cc(F)c1[O-] ZINC001574814901 1078084414 /nfs/dbraw/zinc/08/44/14/1078084414.db2.gz DBSBGRTVUXVCMS-UHFFFAOYSA-N -2 0 368.158 2.922 20 0 FFADRL C[C@@H]1CCCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])[C@H]1C(=O)[O-] ZINC001589327750 1080484950 /nfs/dbraw/zinc/48/49/50/1080484950.db2.gz KBZAIWTUVQIEGH-MEBBXXQBSA-N -2 0 363.801 2.557 20 0 FFADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(s1)CCCCCC2 ZINC001589451533 1080540828 /nfs/dbraw/zinc/54/08/28/1080540828.db2.gz IUKVJRCBDUHDNW-MNOVXSKESA-N -2 0 373.496 2.576 20 0 FFADRL CC(C)(C)C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])C(=O)[O-] ZINC001589756927 1080711194 /nfs/dbraw/zinc/71/11/94/1080711194.db2.gz IGIROBLTNSHRJN-SECBINFHSA-N -2 0 369.361 2.579 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)cc1C(=O)[O-] ZINC000276549875 256109480 /nfs/dbraw/zinc/10/94/80/256109480.db2.gz KGVMUYFUJKJXDB-UHFFFAOYSA-N -2 0 351.428 2.735 20 0 FFADRL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3O)c2O1 ZINC000410042293 512189545 /nfs/dbraw/zinc/18/95/45/512189545.db2.gz LNWBMWHQOBJLFA-UHFFFAOYSA-N -2 0 363.391 2.605 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000042794436 506668555 /nfs/dbraw/zinc/66/85/55/506668555.db2.gz BYUWQSAGJRHHMH-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OC ZINC000013301737 506936051 /nfs/dbraw/zinc/93/60/51/506936051.db2.gz WXQJXUQGPWLSBE-UHFFFAOYSA-N -2 0 357.409 2.654 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c1C ZINC000187748373 510416725 /nfs/dbraw/zinc/41/67/25/510416725.db2.gz KXXJYRKMMIRAPQ-LBPRGKRZSA-N -2 0 363.439 2.970 20 0 FFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000184635425 510432435 /nfs/dbraw/zinc/43/24/35/510432435.db2.gz CPHMOPYGCFFODD-UHFFFAOYSA-N -2 0 351.428 2.655 20 0 FFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1C#N ZINC000184658980 510446445 /nfs/dbraw/zinc/44/64/45/510446445.db2.gz GBTLUAAJKUGMCW-CYBMUJFWSA-N -2 0 358.419 2.931 20 0 FFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(C(=O)[O-])c1 ZINC000313212226 511788816 /nfs/dbraw/zinc/78/88/16/511788816.db2.gz AZAJKVHCEDPVDR-UHFFFAOYSA-N -2 0 366.370 2.592 20 0 FFADRL O=C([O-])c1cccc(Cl)c1NS(=O)(=O)c1c[nH]c2ncccc21 ZINC000324189851 511834029 /nfs/dbraw/zinc/83/40/29/511834029.db2.gz OHRHXJKKKYGLBM-UHFFFAOYSA-N -2 0 351.771 2.715 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(O)c1 ZINC000324273556 511835112 /nfs/dbraw/zinc/83/51/12/511835112.db2.gz ZAJPCCCUEPWGAE-UHFFFAOYSA-N -2 0 361.297 2.910 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000326372124 511857754 /nfs/dbraw/zinc/85/77/54/511857754.db2.gz FPEBOWDCKKCPKT-UHFFFAOYSA-N -2 0 369.782 2.610 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1F ZINC000391413367 512915670 /nfs/dbraw/zinc/91/56/70/512915670.db2.gz MTKTYYZIOWOZHJ-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1C(=O)[O-] ZINC000396424920 512942272 /nfs/dbraw/zinc/94/22/72/512942272.db2.gz LVCVFGUEFPBIGV-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cccc1C(=O)[O-] ZINC000436000362 513734447 /nfs/dbraw/zinc/73/44/47/513734447.db2.gz COQLIFDISBSPBA-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c(C(=O)[O-])c1 ZINC000416408907 513756024 /nfs/dbraw/zinc/75/60/24/513756024.db2.gz SNTAONAUGNMSKR-GFCCVEGCSA-N -2 0 363.439 2.896 20 0 FFADRL CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000436473942 513863641 /nfs/dbraw/zinc/86/36/41/513863641.db2.gz ARIWIJGCMJURKT-UHFFFAOYSA-N -2 0 368.238 2.927 20 0 FFADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cc2c(cc1[O-])CCCC2 ZINC000436675902 513939177 /nfs/dbraw/zinc/93/91/77/513939177.db2.gz MVJCXMAUEXXFKK-UHFFFAOYSA-N -2 0 352.419 2.859 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc3c2OCCC3)c1 ZINC000436699169 513947856 /nfs/dbraw/zinc/94/78/56/513947856.db2.gz QKQHDYSLUUDBHS-UHFFFAOYSA-N -2 0 363.391 2.525 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)c(C(=O)[O-])c1 ZINC000414174952 513996927 /nfs/dbraw/zinc/99/69/27/513996927.db2.gz YOYRNTUPWJCKSO-UHFFFAOYSA-N -2 0 373.381 2.728 20 0 FFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000436997549 514069631 /nfs/dbraw/zinc/06/96/31/514069631.db2.gz WNUVHYKHYKYOTG-UHFFFAOYSA-N -2 0 374.374 2.910 20 0 FFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC000436996676 514069852 /nfs/dbraw/zinc/06/98/52/514069852.db2.gz UUILTWIYHADOMG-UHFFFAOYSA-N -2 0 363.391 2.680 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2sccc2C(C)=O)cc1C(=O)[O-] ZINC000427330659 514185306 /nfs/dbraw/zinc/18/53/06/514185306.db2.gz NKIXWFDLIXYRAS-UHFFFAOYSA-N -2 0 369.420 2.848 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000444417753 514223256 /nfs/dbraw/zinc/22/32/56/514223256.db2.gz GPPYYZUFBDLDKM-UHFFFAOYSA-N -2 0 373.390 2.584 20 0 FFADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCC3)cc1)C(=O)[O-] ZINC000421156130 514508941 /nfs/dbraw/zinc/50/89/41/514508941.db2.gz OODWVUDLZSHSGO-LBPRGKRZSA-N -2 0 361.419 2.686 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cccc1C(F)(F)F ZINC000471138355 514767382 /nfs/dbraw/zinc/76/73/82/514767382.db2.gz YETDMOONZZBOMS-UHFFFAOYSA-N -2 0 362.329 2.851 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000475751560 514793013 /nfs/dbraw/zinc/79/30/13/514793013.db2.gz XXXAXEFEYMPZDA-UHFFFAOYSA-N -3 0 373.770 2.747 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1F ZINC000489436091 514845335 /nfs/dbraw/zinc/84/53/35/514845335.db2.gz WPSWWJIJIGTMTF-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC ZINC000484961882 514857202 /nfs/dbraw/zinc/85/72/02/514857202.db2.gz RKMSIBZVFQNSAI-UHFFFAOYSA-N -2 0 365.407 2.522 20 0 FFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000484981459 514863408 /nfs/dbraw/zinc/86/34/08/514863408.db2.gz SSSOTLOTKHHZNP-UHFFFAOYSA-N -2 0 371.361 2.791 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C(=O)[O-])c1 ZINC000462079531 514869843 /nfs/dbraw/zinc/86/98/43/514869843.db2.gz FKSXQXIZYFMILE-UHFFFAOYSA-N -3 0 369.782 2.846 20 0 FFADRL COc1ccc2c(c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)CCC2 ZINC000480191355 514872294 /nfs/dbraw/zinc/87/22/94/514872294.db2.gz OMFWPUUQWOLNLX-UHFFFAOYSA-N -2 0 361.419 2.991 20 0 FFADRL Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])c(C)c1C(=O)[O-] ZINC000480197663 514876466 /nfs/dbraw/zinc/87/64/66/514876466.db2.gz LZZZPDLANRNQLV-UHFFFAOYSA-N -2 0 363.391 2.525 20 0 FFADRL COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)CCC2 ZINC000480226954 514889226 /nfs/dbraw/zinc/88/92/26/514889226.db2.gz IIZWXOYSEQKJPK-UHFFFAOYSA-N -2 0 365.382 2.822 20 0 FFADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000480245601 514895230 /nfs/dbraw/zinc/89/52/30/514895230.db2.gz JKDQBJBVVFYFJK-NSHDSACASA-N -2 0 351.428 2.590 20 0 FFADRL Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000489594261 514908304 /nfs/dbraw/zinc/90/83/04/514908304.db2.gz QSSZCSTYWSBCCE-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1 ZINC000509090989 515019461 /nfs/dbraw/zinc/01/94/61/515019461.db2.gz XVTSGSOMXGLEHO-UHFFFAOYSA-N -2 0 363.391 2.578 20 0 FFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1 ZINC000476435398 515048630 /nfs/dbraw/zinc/04/86/30/515048630.db2.gz XNHVTMLPSGTGTR-UHFFFAOYSA-N -2 0 371.846 3.000 20 0 FFADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n[nH]1 ZINC000485884284 515237091 /nfs/dbraw/zinc/23/70/91/515237091.db2.gz REJBFIRXROWMNC-UHFFFAOYSA-N -2 0 363.420 2.946 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cs1 ZINC000499292440 515272017 /nfs/dbraw/zinc/27/20/17/515272017.db2.gz SUZFQFHGPZVVKU-UHFFFAOYSA-N -2 0 350.377 2.902 20 0 FFADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000481469544 515338898 /nfs/dbraw/zinc/33/88/98/515338898.db2.gz YPOWNQCOWIVHRD-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000486122064 515343334 /nfs/dbraw/zinc/34/33/34/515343334.db2.gz NYZDWXRRTLOYLG-UHFFFAOYSA-N -2 0 354.453 2.832 20 0 FFADRL CCc1cc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)ccc1C ZINC000477279257 515395778 /nfs/dbraw/zinc/39/57/78/515395778.db2.gz QEOCVADEIBQJEA-UHFFFAOYSA-N -2 0 363.435 2.994 20 0 FFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])o1 ZINC000478682150 515922449 /nfs/dbraw/zinc/92/24/49/515922449.db2.gz OGVLBWVYFMIHHP-UHFFFAOYSA-N -2 0 367.379 2.572 20 0 FFADRL CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000460444672 516154987 /nfs/dbraw/zinc/15/49/87/516154987.db2.gz BYJDKLYLMXYJQP-UHFFFAOYSA-N -2 0 369.782 2.562 20 0 FFADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000470437245 516245694 /nfs/dbraw/zinc/24/56/94/516245694.db2.gz HXZCWBBNGKLLDV-UHFFFAOYSA-N -2 0 369.370 2.819 20 0 FFADRL CCc1ccc(CS(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000547544390 516399473 /nfs/dbraw/zinc/39/94/73/516399473.db2.gz WYEYRUIAVXUMBK-UHFFFAOYSA-N -2 0 363.391 2.587 20 0 FFADRL COc1cc(OC)cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000547559500 516407027 /nfs/dbraw/zinc/40/70/27/516407027.db2.gz DWMBEPYLXOEXFO-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000554431089 516434863 /nfs/dbraw/zinc/43/48/63/516434863.db2.gz YWRYLOMKSPWJJO-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)c1C ZINC000531384152 516441834 /nfs/dbraw/zinc/44/18/34/516441834.db2.gz XVBBEBZTHJZKMG-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000544096634 516579594 /nfs/dbraw/zinc/57/95/94/516579594.db2.gz NMPVGRQMVVWYCQ-NSHDSACASA-N -2 0 363.391 2.764 20 0 FFADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1)C(=O)[O-] ZINC000544643736 516851885 /nfs/dbraw/zinc/85/18/85/516851885.db2.gz ROODOQXZCOYYMM-SNVBAGLBSA-N -2 0 354.815 2.799 20 0 FFADRL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000548269380 516860154 /nfs/dbraw/zinc/86/01/54/516860154.db2.gz YPJWJNHVEWVUJX-LLVKDONJSA-N -2 0 373.352 2.641 20 0 FFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C ZINC000537194766 517080602 /nfs/dbraw/zinc/08/06/02/517080602.db2.gz HNIXTIARPZZODO-SECBINFHSA-N -2 0 355.391 2.801 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NC3(C(=O)[O-])CCCC3)n2)cc1 ZINC000532863303 517174535 /nfs/dbraw/zinc/17/45/35/517174535.db2.gz UCORIGXUODBXGW-UHFFFAOYSA-N -2 0 357.410 2.829 20 0 FFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000545368427 517202839 /nfs/dbraw/zinc/20/28/39/517202839.db2.gz UXBQFONDINMVLA-UHFFFAOYSA-N -2 0 364.148 2.680 20 0 FFADRL CCCSc1nc(=NC(=O)Nc2cccc(CC(=O)[O-])c2)s[n-]1 ZINC000515143898 517229043 /nfs/dbraw/zinc/22/90/43/517229043.db2.gz XCNFKYFSJJBKLJ-UHFFFAOYSA-N -2 0 352.441 2.733 20 0 FFADRL CCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)c(F)cc1OC ZINC000530094040 517557860 /nfs/dbraw/zinc/55/78/60/517557860.db2.gz XGXXOYNOZREBQW-WAYWQWQTSA-N -2 0 362.357 2.835 20 0 FFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1Cl ZINC000516371778 517674914 /nfs/dbraw/zinc/67/49/14/517674914.db2.gz XTNQJDFVMNGKJY-UHFFFAOYSA-N -2 0 374.827 2.859 20 0 FFADRL Cc1cc(Cl)cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1O ZINC000533970234 517688154 /nfs/dbraw/zinc/68/81/54/517688154.db2.gz PBMJYNLFTJGJRN-UHFFFAOYSA-N -2 0 360.757 2.664 20 0 FFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c1C ZINC000543165460 517941543 /nfs/dbraw/zinc/94/15/43/517941543.db2.gz FFCCOOWJGNVYEE-NSHDSACASA-N -2 0 365.455 2.899 20 0 FFADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3Cl)cn21 ZINC000563521042 517957838 /nfs/dbraw/zinc/95/78/38/517957838.db2.gz YEVPNIOWEJMIGH-VIFPVBQESA-N -2 0 369.830 2.933 20 0 FFADRL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000522045882 517964380 /nfs/dbraw/zinc/96/43/80/517964380.db2.gz KXLDMNXCXQCNPF-UHFFFAOYSA-N -2 0 371.798 2.691 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)cc1Cl ZINC000534792354 518035735 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20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000577734482 519229575 /nfs/dbraw/zinc/22/95/75/519229575.db2.gz SGQHEZSTPKPZMH-LBPRGKRZSA-N -2 0 363.439 2.590 20 0 FFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnccc1C ZINC000578197705 519468987 /nfs/dbraw/zinc/46/89/87/519468987.db2.gz VERVAOBHFSZMKX-UHFFFAOYSA-N -2 0 350.396 2.678 20 0 FFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(F)c1 ZINC000608343494 519938033 /nfs/dbraw/zinc/93/80/33/519938033.db2.gz ZEFOERARBCMCRO-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CSCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000601979606 521055393 /nfs/dbraw/zinc/05/53/93/521055393.db2.gz QJKFFXGIBVELFY-UHFFFAOYSA-N -2 0 355.437 2.993 20 0 FFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000607030547 521238656 /nfs/dbraw/zinc/23/86/56/521238656.db2.gz DWYGZELFGKPTGI-UHFFFAOYSA-N -2 0 363.391 2.548 20 0 FFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000819018802 597315368 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CCCCCc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000829373334 600672247 /nfs/dbraw/zinc/67/22/47/600672247.db2.gz RWLXDRAZWQSKBJ-UHFFFAOYSA-N -2 0 351.428 2.501 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000833297696 600684656 /nfs/dbraw/zinc/68/46/56/600684656.db2.gz LTBFHMZBDSXZSR-UHFFFAOYSA-N -3 0 373.745 2.676 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1C(=O)[O-] ZINC000320224583 600809309 /nfs/dbraw/zinc/80/93/09/600809309.db2.gz VWWVPUDHRQQTER-UHFFFAOYSA-N -2 0 362.379 2.839 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)cc1C(=O)[O-] ZINC000833055312 600812379 /nfs/dbraw/zinc/81/23/79/600812379.db2.gz GVFOLGPVZWNLCA-UHFFFAOYSA-N -2 0 373.390 2.711 20 0 FFADRL O=C([O-])c1n[nH]c2ccc(NC(=O)c3ccc4[n-]c(=S)oc4c3)cc21 ZINC000833158365 600883773 /nfs/dbraw/zinc/88/37/73/600883773.db2.gz ZTDQQNYGOHPQEL-UHFFFAOYSA-N -2 0 354.347 2.943 20 0 FFADRL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC000096703771 600981991 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/nfs/dbraw/zinc/90/25/47/507902547.db2.gz ZMSNENSSUQPCMO-UHFFFAOYSA-N -2 0 355.391 2.719 20 0 FFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2Br)c1O ZINC000124647807 508864121 /nfs/dbraw/zinc/86/41/21/508864121.db2.gz WMVYNITUTWFQKU-UHFFFAOYSA-N -2 0 372.196 2.654 20 0 FFADRL COCCCOc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000267526025 509528375 /nfs/dbraw/zinc/52/83/75/509528375.db2.gz POASLIHLLADLAM-UHFFFAOYSA-N -2 0 371.436 2.662 20 0 FFADRL CCCC[C@@H](NS(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000262199856 510208111 /nfs/dbraw/zinc/20/81/11/510208111.db2.gz IFXFDEYXQMDLQT-SECBINFHSA-N -2 0 368.224 2.510 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)nn(CC)c1C ZINC000265995272 510347896 /nfs/dbraw/zinc/34/78/96/510347896.db2.gz BVNHSQBICUAISU-UHFFFAOYSA-N -2 0 351.428 2.581 20 0 FFADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000184631492 510429124 /nfs/dbraw/zinc/42/91/24/510429124.db2.gz XXVGHJXLNYUBBO-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1)C(=O)[O-] ZINC000184902398 510572543 /nfs/dbraw/zinc/57/25/43/510572543.db2.gz HIZMKFCELJRMMP-CQSZACIVSA-N -2 0 365.455 2.918 20 0 FFADRL O=C([O-])C1(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCC1 ZINC000282860017 511138245 /nfs/dbraw/zinc/13/82/45/511138245.db2.gz OIAABGOFVKRZPG-UHFFFAOYSA-N -2 0 357.737 2.644 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cs1 ZINC000320851715 511816796 /nfs/dbraw/zinc/81/67/96/511816796.db2.gz PTEAHASITKSNNP-UHFFFAOYSA-N -2 0 350.377 2.902 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000322025564 511823372 /nfs/dbraw/zinc/82/33/72/511823372.db2.gz KBURYYLBODXQJI-UHFFFAOYSA-N -2 0 366.342 2.969 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(OC)c1 ZINC000324968902 511842360 /nfs/dbraw/zinc/84/23/60/511842360.db2.gz ZNVZAGGUHGBSEV-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(OC)c1 ZINC000325753844 511850551 /nfs/dbraw/zinc/85/05/51/511850551.db2.gz SXWOLRFZIRDSGR-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000327448634 511877453 /nfs/dbraw/zinc/87/74/53/511877453.db2.gz BLPNKKWSNMNNDM-UHFFFAOYSA-N -2 0 356.403 2.971 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1F ZINC000327884201 511883648 /nfs/dbraw/zinc/88/36/48/511883648.db2.gz DADGUHAKKUFWCQ-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(F)ccc1Br ZINC000297188891 512053572 /nfs/dbraw/zinc/05/35/72/512053572.db2.gz LQCUJLKDPGPBEC-VIFPVBQESA-N -2 0 368.224 2.510 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000390037661 512905318 /nfs/dbraw/zinc/90/53/18/512905318.db2.gz INOAHWXOLLCCTC-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(OC(F)F)c2)cc1F ZINC000392267936 512923901 /nfs/dbraw/zinc/92/39/01/512923901.db2.gz YZFWETCINAGONG-UHFFFAOYSA-N -2 0 361.297 2.926 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c(F)c1 ZINC000393031910 512930192 /nfs/dbraw/zinc/93/01/92/512930192.db2.gz IAOZQNYLSQQMKK-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1Br ZINC000433805756 513155389 /nfs/dbraw/zinc/15/53/89/513155389.db2.gz XSKAHJAJHWHVRI-UHFFFAOYSA-N -2 0 372.196 2.654 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cnn1C ZINC000446624245 513299091 /nfs/dbraw/zinc/29/90/91/513299091.db2.gz MXOCEKPKCJMETO-UHFFFAOYSA-N -2 0 357.457 2.587 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1O ZINC000436722853 513957795 /nfs/dbraw/zinc/95/77/95/513957795.db2.gz JVCFCQMLKDKRAV-UHFFFAOYSA-N -2 0 360.347 2.546 20 0 FFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1 ZINC000436903700 514028497 /nfs/dbraw/zinc/02/84/97/514028497.db2.gz URIKNNBNFDFUHI-UHFFFAOYSA-N -2 0 358.375 2.886 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1 ZINC000444418851 514224626 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FFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2sccc2C)c1OC ZINC000484961282 514856307 /nfs/dbraw/zinc/85/63/07/514856307.db2.gz FIZHNFJQNVOEAF-UHFFFAOYSA-N -2 0 357.409 2.573 20 0 FFADRL Cn1nccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000485042728 514887444 /nfs/dbraw/zinc/88/74/44/514887444.db2.gz NHVXXRJAPPSJHS-UHFFFAOYSA-N -2 0 373.390 2.711 20 0 FFADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C ZINC000480239703 514891796 /nfs/dbraw/zinc/89/17/96/514891796.db2.gz HSAWKBJWDPUAAB-JTQLQIEISA-N -2 0 351.428 2.970 20 0 FFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(F)ccc2C)c1OC ZINC000467330822 514980050 /nfs/dbraw/zinc/98/00/50/514980050.db2.gz QTCPDJUAXVCYEL-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000467750782 515101774 /nfs/dbraw/zinc/10/17/74/515101774.db2.gz BSEVSECDHSFGHY-UHFFFAOYSA-N -2 0 365.285 2.828 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000467759781 515105801 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Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C(=O)[O-])cc1C ZINC000478709522 515936419 /nfs/dbraw/zinc/93/64/19/515936419.db2.gz KZQLTLPCZQLFGL-UHFFFAOYSA-N -2 0 363.391 2.809 20 0 FFADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474441345 516047493 /nfs/dbraw/zinc/04/74/93/516047493.db2.gz ZVIBBWXKIWLJBN-UHFFFAOYSA-N -2 0 364.764 2.731 20 0 FFADRL Cn1ncc2c1[n-]cc(C(=O)Nc1cc(Cl)cc(Cl)c1[O-])c2=O ZINC000512001905 516110692 /nfs/dbraw/zinc/11/06/92/516110692.db2.gz LVGBJOSBYQEYQJ-UHFFFAOYSA-N -2 0 353.165 2.939 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000470449967 516252431 /nfs/dbraw/zinc/25/24/31/516252431.db2.gz QXLDCUOKHACWOR-UHFFFAOYSA-N -2 0 365.285 2.828 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1C(=O)[O-] ZINC000460825475 516259321 /nfs/dbraw/zinc/25/93/21/516259321.db2.gz XKRYEMIJPZGWMJ-UHFFFAOYSA-N -2 0 362.329 2.629 20 0 FFADRL COc1cccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1O ZINC000484161217 516308122 /nfs/dbraw/zinc/30/81/22/516308122.db2.gz MGJKXRPQDDZIFW-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000512777111 516356041 /nfs/dbraw/zinc/35/60/41/516356041.db2.gz ZUKVOROVMWUOCW-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c([N+](=O)[O-])c1 ZINC000547547935 516401513 /nfs/dbraw/zinc/40/15/13/516401513.db2.gz GBGVCTXELTVHKJ-UHFFFAOYSA-N -2 0 350.352 2.711 20 0 FFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)c(C(=O)[O-])c1 ZINC000547547094 516402273 /nfs/dbraw/zinc/40/22/73/516402273.db2.gz MNCTZKGAWFEVBX-UHFFFAOYSA-N -2 0 366.370 2.592 20 0 FFADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000547557044 516406606 /nfs/dbraw/zinc/40/66/06/516406606.db2.gz IUDWMOMZKCXPMH-UHFFFAOYSA-N -2 0 368.342 2.850 20 0 FFADRL Cc1cccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C(=O)[O-] ZINC000523981069 516621534 /nfs/dbraw/zinc/62/15/34/516621534.db2.gz YZDVDVKZTUQFTC-UHFFFAOYSA-N -2 0 363.391 2.511 20 0 FFADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000548268451 516860673 /nfs/dbraw/zinc/86/06/73/516860673.db2.gz BKSDNDFBWSQESA-LBPRGKRZSA-N -2 0 355.362 2.502 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1[C@@H](C)C1CC1 ZINC000541303701 516976220 /nfs/dbraw/zinc/97/62/20/516976220.db2.gz DGEZJAFUEOPHKJ-LBPRGKRZSA-N -2 0 363.439 2.590 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nn1[C@H](C)C1CC1 ZINC000552029031 517038051 /nfs/dbraw/zinc/03/80/51/517038051.db2.gz QHOFDPWDRSYODJ-GFCCVEGCSA-N -2 0 363.439 2.970 20 0 FFADRL Cn1ncc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1C(=O)[O-] ZINC000537640308 517277073 /nfs/dbraw/zinc/27/70/73/517277073.db2.gz SRFBUXISAHANFL-UHFFFAOYSA-N -2 0 363.439 2.967 20 0 FFADRL Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000556342617 517378700 /nfs/dbraw/zinc/37/87/00/517378700.db2.gz XNWXTGZROMCMKK-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000534401668 517881261 /nfs/dbraw/zinc/88/12/61/517881261.db2.gz VBDJSZYQKFCYHA-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CCOC(=O)CC1(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2O)CC1 ZINC000567450933 518529316 /nfs/dbraw/zinc/52/93/16/518529316.db2.gz OUJVJQGXFJRVRR-UHFFFAOYSA-N -2 0 355.456 2.917 20 0 FFADRL CCCCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000570442902 518608399 /nfs/dbraw/zinc/60/83/99/518608399.db2.gz NTCIYQGBDARIMW-UHFFFAOYSA-N -2 0 364.423 2.688 20 0 FFADRL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000582486294 518777894 /nfs/dbraw/zinc/77/78/94/518777894.db2.gz IOVHWKLONIKNAR-SFYZADRCSA-N -2 0 357.375 2.689 20 0 FFADRL COCC[C@@H](Cc1cccc(-c2cc(C(=O)[O-])ccc2CO)c1)C(=O)[O-] ZINC000565239740 518858093 /nfs/dbraw/zinc/85/80/93/518858093.db2.gz YQHRAOVCZUXNMZ-INIZCTEOSA-N -2 0 358.390 2.824 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)nn1-c1ccccc1 ZINC000570982030 518870294 /nfs/dbraw/zinc/87/02/94/518870294.db2.gz JXZXRXZUOIOCQV-UHFFFAOYSA-N -2 0 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FFADRL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC000062947025 604889022 /nfs/dbraw/zinc/88/90/22/604889022.db2.gz TZRILOJEYZONDV-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL Cc1ccc(Br)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000694158005 604943692 /nfs/dbraw/zinc/94/36/92/604943692.db2.gz DNAZIZODLIYQHD-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1-c1ccccc1 ZINC000833747715 605013464 /nfs/dbraw/zinc/01/34/64/605013464.db2.gz GFAZGKDGOQIVPX-UHFFFAOYSA-N -2 0 371.418 2.895 20 0 FFADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cn1 ZINC000833494282 605167408 /nfs/dbraw/zinc/16/74/08/605167408.db2.gz LUUACNJQTJWEAI-UHFFFAOYSA-N -2 0 357.819 2.692 20 0 FFADRL O=C([O-])NCCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000834230670 605717683 /nfs/dbraw/zinc/71/76/83/605717683.db2.gz BXNVYTJBFZBONT-UHFFFAOYSA-N -2 0 351.584 2.794 20 0 FFADRL O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000834059210 606029629 /nfs/dbraw/zinc/02/96/29/606029629.db2.gz IRJUXKCUWWJYNW-UHFFFAOYSA-N -2 0 356.378 2.571 20 0 FFADRL O=C([O-])Nc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c(Cl)c1 ZINC000834255058 606035236 /nfs/dbraw/zinc/03/52/36/606035236.db2.gz GJFQKBYGUPOTAF-LLVKDONJSA-N -2 0 352.774 2.757 20 0 FFADRL O=C([O-])Nc1cccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000834263528 606048740 /nfs/dbraw/zinc/04/87/40/606048740.db2.gz UCQFPFVOUORNLG-CYBMUJFWSA-N -2 0 350.277 2.610 20 0 FFADRL O=C([O-])N[C@@H](CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000834136019 606048751 /nfs/dbraw/zinc/04/87/51/606048751.db2.gz BJXHKHJKRGFMHF-DOTOQJQBSA-N -2 0 356.378 2.718 20 0 FFADRL O=C([O-])COc1cccc(NC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)[O-])c1 ZINC000834066819 606056889 /nfs/dbraw/zinc/05/68/89/606056889.db2.gz WVSZAYDQEVDBDA-GJZGRUSLSA-N -2 0 364.398 2.695 20 0 FFADRL O=C([O-])c1sc2ccccc2c1CNC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000834282924 606060304 /nfs/dbraw/zinc/06/03/04/606060304.db2.gz IIJBBBLGWYPEEI-GFCCVEGCSA-N -2 0 362.407 2.748 20 0 FFADRL O=C([O-])CCSCc1cccc(NC(=O)C[C@H]2CCCN2C(=O)[O-])c1 ZINC000834059439 606060491 /nfs/dbraw/zinc/06/04/91/606060491.db2.gz JYLNKUIKLOMTAK-CQSZACIVSA-N -2 0 366.439 2.866 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1O ZINC000745997661 735456746 /nfs/dbraw/zinc/45/67/46/735456746.db2.gz HUVCZMLNMYEXKK-UHFFFAOYSA-N -2 0 363.178 2.593 20 0 FFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000055587061 728097555 /nfs/dbraw/zinc/09/75/55/728097555.db2.gz HJWUKFQJHULPBW-UHFFFAOYSA-N -2 0 365.798 2.795 20 0 FFADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cn1 ZINC000066813783 728178345 /nfs/dbraw/zinc/17/83/45/728178345.db2.gz YUSJVBZHOQSJNE-UHFFFAOYSA-N -2 0 364.210 2.709 20 0 FFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c1 ZINC000134622224 728731543 /nfs/dbraw/zinc/73/15/43/728731543.db2.gz DGTIHWXVPLOKFV-UHFFFAOYSA-N -2 0 365.455 2.747 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c(C)c1C(=O)[O-] ZINC000178955155 729174254 /nfs/dbraw/zinc/17/42/54/729174254.db2.gz OCQGKTLEIQOYBD-UHFFFAOYSA-N -2 0 351.428 2.754 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1C(=O)[O-] ZINC000179316966 729183380 /nfs/dbraw/zinc/18/33/80/729183380.db2.gz CNBBPJDGSIIZPP-UHFFFAOYSA-N -2 0 351.409 2.617 20 0 FFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n[nH]1 ZINC000323585377 729755169 /nfs/dbraw/zinc/75/51/69/729755169.db2.gz DWVFGPJFNUMSRU-UHFFFAOYSA-N -2 0 357.819 2.860 20 0 FFADRL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000324862079 729757714 /nfs/dbraw/zinc/75/77/14/729757714.db2.gz JBUCBLKMFCROKC-UHFFFAOYSA-N -2 0 370.408 2.816 20 0 FFADRL O=C([O-])c1ccc(CS(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000324877143 729757833 /nfs/dbraw/zinc/75/78/33/729757833.db2.gz POHFUNWVXCGMLM-UHFFFAOYSA-N -2 0 369.782 2.678 20 0 FFADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000472797505 729905044 /nfs/dbraw/zinc/90/50/44/729905044.db2.gz YATWFEUXDBFHFR-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)sc1C(=O)[O-] ZINC000647918979 730773221 /nfs/dbraw/zinc/77/32/21/730773221.db2.gz GGMDYPQPYJVFFX-UHFFFAOYSA-N -2 0 367.404 2.794 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)ccc1F ZINC000780415533 738541688 /nfs/dbraw/zinc/54/16/88/738541688.db2.gz KYAHSZQYXKMZMP-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2OCO3)c1Cl ZINC000782261479 738703843 /nfs/dbraw/zinc/70/38/43/738703843.db2.gz MBNWEYYAZXPVGF-UHFFFAOYSA-N -2 0 369.782 2.876 20 0 FFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F)OCO2 ZINC000673901318 733657858 /nfs/dbraw/zinc/65/78/58/733657858.db2.gz UXHQMTXHHQTPAG-UHFFFAOYSA-N -2 0 373.745 2.707 20 0 FFADRL Cc1cccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1C(=O)[O-] ZINC000682896774 734107768 /nfs/dbraw/zinc/10/77/68/734107768.db2.gz ROINXDVTOOGMJD-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000685902122 734350605 /nfs/dbraw/zinc/35/06/05/734350605.db2.gz BMAHGJARRQOTDZ-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL O=C([O-])C[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000904053806 736212667 /nfs/dbraw/zinc/21/26/67/736212667.db2.gz WUFLMZQBRMKZKO-NSHDSACASA-N -2 0 374.340 2.846 20 0 FFADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000758168607 736457897 /nfs/dbraw/zinc/45/78/97/736457897.db2.gz DOVOLENXCNLIQE-UHFFFAOYSA-N -2 0 365.745 2.808 20 0 FFADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000759168959 736552443 /nfs/dbraw/zinc/55/24/43/736552443.db2.gz UTOSZYTUJXPLJC-UHFFFAOYSA-N -2 0 368.798 2.583 20 0 FFADRL Cc1c2ccc(F)cc2sc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910184409 737037692 /nfs/dbraw/zinc/03/76/92/737037692.db2.gz QNXICIHHDMKPFQ-BXKDBHETSA-N -2 0 365.382 2.739 20 0 FFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000793364545 739774401 /nfs/dbraw/zinc/77/44/01/739774401.db2.gz WURYRMHAIGMKHS-UHFFFAOYSA-N -2 0 368.386 2.815 20 0 FFADRL O=C([N-]C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1)C(F)(F)F ZINC000799733553 740446285 /nfs/dbraw/zinc/44/62/85/740446285.db2.gz ICSZPPLIBUDZQP-MRVPVSSYSA-N -2 0 362.657 2.738 20 0 FFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c1 ZINC000800831633 740553034 /nfs/dbraw/zinc/55/30/34/740553034.db2.gz JCEWHUBLDSZULL-UHFFFAOYSA-N -2 0 365.794 2.968 20 0 FFADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000808096997 741185926 /nfs/dbraw/zinc/18/59/26/741185926.db2.gz OUDDCKTVPASCOP-UHFFFAOYSA-N -2 0 362.741 2.821 20 0 FFADRL O=C([O-])c1cc(NC(=O)CSc2n[n-]c(=S)s2)ccc1Cl ZINC000833115533 745773304 /nfs/dbraw/zinc/77/33/04/745773304.db2.gz ABXUMUDASGEXLZ-UHFFFAOYSA-N -2 0 361.857 2.909 20 0 FFADRL O=C([O-])CCCCCC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000841774274 747456276 /nfs/dbraw/zinc/45/62/76/747456276.db2.gz FSVJSGNUTQPVNI-UHFFFAOYSA-N -2 0 357.325 2.556 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnc1Cl ZINC000391487142 845846831 /nfs/dbraw/zinc/84/68/31/845846831.db2.gz YJMQCAQRKVHEGE-UHFFFAOYSA-N -2 0 354.815 2.861 20 0 FFADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1nnc(C2CC2)o1 ZINC000324620282 971139745 /nfs/dbraw/zinc/13/97/45/971139745.db2.gz CEBKWQNZFSLIJG-UHFFFAOYSA-N -2 0 365.392 2.661 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)ccc1F ZINC000325248031 971196871 /nfs/dbraw/zinc/19/68/71/971196871.db2.gz GGZZGBYLEFFANN-UHFFFAOYSA-N -2 0 374.733 2.886 20 0 FFADRL O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000326854035 971335970 /nfs/dbraw/zinc/33/59/70/971335970.db2.gz QFYUCCJYOJGPCN-HNNXBMFYSA-N -2 0 358.781 2.953 20 0 FFADRL O=C([O-])[C@@H]1C[C@@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])c2ccccc21 ZINC001605742339 972382375 /nfs/dbraw/zinc/38/23/75/972382375.db2.gz AAOVCQSZTIUUJQ-HZPDHXFCSA-N -2 0 363.373 2.621 20 0 FFADRL C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900004 961642446 /nfs/dbraw/zinc/64/24/46/961642446.db2.gz MWHNZNNWESAMBI-XNBXPENISA-N -2 0 368.474 2.556 20 0 FFADRL Nc1cc(Br)cnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236223 1013656354 /nfs/dbraw/zinc/65/63/54/1013656354.db2.gz IJGVHWQHCGUPPE-UHFFFAOYSA-N -2 0 352.144 2.566 20 0 FFADRL Cc1cc(C(=O)Nc2ccccc2NC2CCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000652788682 967394576 /nfs/dbraw/zinc/39/45/76/967394576.db2.gz JFDYVWGUROSJFN-UHFFFAOYSA-N -2 0 365.393 2.961 20 0 FFADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)cn1 ZINC000320210092 970630011 /nfs/dbraw/zinc/63/00/11/970630011.db2.gz XOEJWICFWZQNLU-UHFFFAOYSA-N -2 0 361.782 2.756 20 0 FFADRL O=C([O-])c1ccnc(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1 ZINC001606533885 974053424 /nfs/dbraw/zinc/05/34/24/974053424.db2.gz MHRJSQQAHBXIBU-UHFFFAOYSA-N -2 0 358.741 2.577 20 0 FFADRL CC(C)c1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001591983841 976605539 /nfs/dbraw/zinc/60/55/39/976605539.db2.gz SQMLWWGOWMCSSK-UHFFFAOYSA-N -2 0 361.419 2.768 20 0 FFADRL C[C@](CC(=O)[O-])(NC(=O)c1cccc(C(F)(F)F)c1[O-])c1cccnc1 ZINC001592308481 977675738 /nfs/dbraw/zinc/67/57/38/977675738.db2.gz JFZROPVKVJRNHG-MRXNPFEDSA-N -2 0 368.311 2.926 20 0 FFADRL C[C@@H](CN(Cc1ccccc1)C(=O)c1coc(/C=C/C(=O)[O-])c1)C(=O)[O-] ZINC001592604826 978547306 /nfs/dbraw/zinc/54/73/06/978547306.db2.gz ORTSMZMKJAHERD-GWJCSSMESA-N -2 0 357.362 2.741 20 0 FFADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1C1CC1 ZINC001595027526 979144683 /nfs/dbraw/zinc/14/46/83/979144683.db2.gz XLXIHLATESPASO-SECBINFHSA-N -2 0 353.400 2.824 20 0 FFADRL CC(F)(F)c1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC001592944011 980018620 /nfs/dbraw/zinc/01/86/20/980018620.db2.gz FRXDCWHNHMISJH-SKDRFNHKSA-N -2 0 356.325 2.580 20 0 FFADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001595367929 980820920 /nfs/dbraw/zinc/82/09/20/980820920.db2.gz LGBNNHNOFZYYRB-MRXNPFEDSA-N -2 0 356.325 2.772 20 0 FFADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000910181601 981846721 /nfs/dbraw/zinc/84/67/21/981846721.db2.gz CMBIUJHFOIIVQS-NDMJEZRESA-N -2 0 373.327 2.585 20 0 FFADRL CC[C@@H](C)C[C@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC001594949942 982655416 /nfs/dbraw/zinc/65/54/16/982655416.db2.gz ONGAFKQBNWNLLM-MFKMUULPSA-N -2 0 363.389 2.645 20 0 FFADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001594964081 982716466 /nfs/dbraw/zinc/71/64/66/982716466.db2.gz CSQUFCRVFJHDAV-ZETCQYMHSA-N -2 0 363.197 2.724 20 0 FFADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)c1ccc(F)cc1F ZINC001599948676 985571799 /nfs/dbraw/zinc/57/17/99/985571799.db2.gz QLMILUOQJKSACM-SECBINFHSA-N -2 0 371.361 2.653 20 0 FFADRL Cc1[nH]c(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001599952849 985639324 /nfs/dbraw/zinc/63/93/24/985639324.db2.gz NPCRFHLRLPQFFT-CQSZACIVSA-N -2 0 358.394 2.536 20 0 FFADRL O=P([O-])([O-])OCCNc1ccc(OC(F)(F)F)c2ncccc12 ZINC001168595116 985723319 /nfs/dbraw/zinc/72/33/19/985723319.db2.gz GAMWICJHCLVEQM-UHFFFAOYSA-N -2 0 352.205 2.655 20 0 FFADRL CCc1c([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cnn1CC(C)C ZINC001597419532 987723172 /nfs/dbraw/zinc/72/31/72/987723172.db2.gz BVWVCBJVKYNVLC-UHFFFAOYSA-N -2 0 369.443 2.810 20 0 FFADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccnn2C2CCC2)s1 ZINC001597446034 987821109 /nfs/dbraw/zinc/82/11/09/987821109.db2.gz XABSKMFEVMVYFE-UHFFFAOYSA-N -2 0 355.441 2.731 20 0 FFADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(OC)ccc2OC)s1 ZINC001597446109 987822054 /nfs/dbraw/zinc/82/20/54/987822054.db2.gz YKNLWYSVBNAMHH-UHFFFAOYSA-N -2 0 371.436 2.827 20 0 FFADRL CCn1ncc2ccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])cc21 ZINC001597963333 990000344 /nfs/dbraw/zinc/00/03/44/990000344.db2.gz ZFFMHAZRMQPDDZ-UHFFFAOYSA-N -2 0 363.395 2.765 20 0 FFADRL CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1(C)C ZINC001590914441 990898079 /nfs/dbraw/zinc/89/80/79/990898079.db2.gz HFQZYXZDQQNULG-HUUCEWRRSA-N -2 0 365.451 2.569 20 0 FFADRL 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FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC001597785204 989301349 /nfs/dbraw/zinc/30/13/49/989301349.db2.gz CPJHWKXVZZPFPP-UHFFFAOYSA-N -2 0 361.379 2.527 20 0 FFADRL COc1cccc(S(=O)(=O)[N-]c2nc(C(C)C)c(C(=O)[O-])s2)c1 ZINC001599684620 990966799 /nfs/dbraw/zinc/96/67/99/990966799.db2.gz XOQGURAKAUNCFZ-UHFFFAOYSA-N -2 0 356.425 2.774 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)cc(C(=O)[O-])c1 ZINC000507573421 992548529 /nfs/dbraw/zinc/54/85/29/992548529.db2.gz ZUQJDVZMMZXBQJ-UHFFFAOYSA-N -2 0 371.418 2.739 20 0 FFADRL CC(C)N1Cc2cccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2C1 ZINC001591635150 992943844 /nfs/dbraw/zinc/94/38/44/992943844.db2.gz LNNNZKBTXBTZTL-UHFFFAOYSA-N -2 0 366.464 2.971 20 0 FFADRL C[C@@H](NC(=O)c1cc(F)cc(F)c1[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593155250 993965281 /nfs/dbraw/zinc/96/52/81/993965281.db2.gz KELAIWQEXMPORP-SECBINFHSA-N -2 0 351.305 2.625 20 0 FFADRL C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001593792451 996508380 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COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001599378062 998520876 /nfs/dbraw/zinc/52/08/76/998520876.db2.gz QNFUCESKTBLTRK-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])c(C)c1 ZINC001598990415 998732267 /nfs/dbraw/zinc/73/22/67/998732267.db2.gz HKRVPGNNQIOFAM-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL CC(C)Oc1c(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cccc1C(=O)[O-] ZINC001594210623 998818512 /nfs/dbraw/zinc/81/85/12/998818512.db2.gz SOXZMEACTDASAN-VXGBXAGGSA-N -2 0 364.398 2.747 20 0 FFADRL C[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)sc2C1 ZINC001594450904 999648807 /nfs/dbraw/zinc/64/88/07/999648807.db2.gz OFFKRSDMXUJYHN-SSDOTTSWSA-N -2 0 358.466 2.828 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ncnc3sccc32)cc1 ZINC001192107053 1004055824 /nfs/dbraw/zinc/05/58/24/1004055824.db2.gz WVFWJGXPQPYIJU-UHFFFAOYSA-N -2 0 363.420 2.509 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)s2)cc1C(=O)[O-] ZINC001192615152 1004216946 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O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC3)c1 ZINC001187579320 1006162453 /nfs/dbraw/zinc/16/24/53/1006162453.db2.gz UABFIJMKTQRJJL-UHFFFAOYSA-N -2 0 365.794 2.968 20 0 FFADRL COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1OC ZINC001188272842 1006496059 /nfs/dbraw/zinc/49/60/59/1006496059.db2.gz RCAGPBPLWVDHEB-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2O)ccc1Cl ZINC001188282183 1006501656 /nfs/dbraw/zinc/50/16/56/1006501656.db2.gz KHOSWNPBRUWXJU-UHFFFAOYSA-N -2 0 363.178 2.593 20 0 FFADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@](CF)(C(F)(F)F)C1 ZINC001189872651 1007318053 /nfs/dbraw/zinc/31/80/53/1007318053.db2.gz XDRBVIBQASZUPG-GFCCVEGCSA-N -2 0 371.223 2.522 20 0 FFADRL CN(CCC(=O)c1cccs1)C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189887351 1007356454 /nfs/dbraw/zinc/35/64/54/1007356454.db2.gz NTRAJWXQFRXDLW-UHFFFAOYSA-N -2 0 369.335 2.565 20 0 FFADRL COc1cc2[nH]ccc2c(NC(=O)c2ccccc2OP(=O)([O-])[O-])c1 ZINC001189888681 1007357175 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OXEBTEWNEXYBOX-KGLIPLIRSA-N -2 0 360.410 2.527 20 0 FFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001116851900 1021454443 /nfs/dbraw/zinc/45/44/43/1021454443.db2.gz CTWRCBDIDBRUBT-UHFFFAOYSA-N -2 0 352.265 2.672 20 0 FFADRL O=P([O-])([O-])OCCNC(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001157795588 1029666299 /nfs/dbraw/zinc/66/62/99/1029666299.db2.gz GEPYJECGHZDXKJ-UHFFFAOYSA-N -2 0 371.491 2.790 20 0 FFADRL O=P([O-])([O-])OCCNC(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001157795695 1029666447 /nfs/dbraw/zinc/66/64/47/1029666447.db2.gz RFGNEHVRYVFIRF-UHFFFAOYSA-N -2 0 368.660 2.743 20 0 FFADRL CCCCCC[C@H](CCCC)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224626413 1033954950 /nfs/dbraw/zinc/95/49/50/1033954950.db2.gz XZKOYTXBUUQWMO-OFQRWUPVSA-N -2 0 360.447 2.843 20 0 FFADRL CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234341575 1036993532 /nfs/dbraw/zinc/99/35/32/1036993532.db2.gz ZUONXYLOKDWSGK-CQSZACIVSA-N -2 0 373.342 2.936 20 0 FFADRL O=P([O-])([O-])Oc1ccccc1-c1nnc(Cc2ccccc2F)o1 ZINC001255861409 1038213095 /nfs/dbraw/zinc/21/30/95/1038213095.db2.gz WFINOKOAWNNWPX-UHFFFAOYSA-N -2 0 350.242 2.938 20 0 FFADRL O=c1cc(COCc2ccccc2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245925381 1039148902 /nfs/dbraw/zinc/14/89/02/1039148902.db2.gz SDTDEHCGGYVJGN-UHFFFAOYSA-N -2 0 360.391 2.541 20 0 FFADRL O=c1cc(-c2ccc(F)c(F)c2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245945034 1039156285 /nfs/dbraw/zinc/15/62/85/1039156285.db2.gz FXRBTUSXZUPSST-UHFFFAOYSA-N -2 0 352.318 2.770 20 0 FFADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c(C)c1 ZINC001259213640 1039806511 /nfs/dbraw/zinc/80/65/11/1039806511.db2.gz FBUPHPONWOFRRQ-UHFFFAOYSA-N -2 0 358.778 2.990 20 0 FFADRL COc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260215722 1040466685 /nfs/dbraw/zinc/46/66/85/1040466685.db2.gz UFOUUIATLAJSLZ-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL CP(C)(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260215742 1040467016 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20 0 FFADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC001318649855 1044789266 /nfs/dbraw/zinc/78/92/66/1044789266.db2.gz AUKKZRGSACYLTB-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1-c1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC001243202613 1044892371 /nfs/dbraw/zinc/89/23/71/1044892371.db2.gz DJNYBWNCAALYJI-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL COC(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1C(F)(F)F ZINC001244599174 1045165390 /nfs/dbraw/zinc/16/53/90/1045165390.db2.gz QGFRPQVYXAMYNN-UHFFFAOYSA-N -2 0 360.224 2.962 20 0 FFADRL COc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC001340314832 1050713571 /nfs/dbraw/zinc/71/35/71/1050713571.db2.gz CJTHLMDZJRQINT-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CC(C)C[C@H](CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-])CC(=O)[O-] ZINC001573537276 1077732062 /nfs/dbraw/zinc/73/20/62/1077732062.db2.gz ZPWDBNIYCSJXRB-LBPRGKRZSA-N -2 0 363.389 2.584 20 0 FFADRL O=C([O-])C1(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CCCCC1 ZINC001574549662 1078015345 /nfs/dbraw/zinc/01/53/45/1078015345.db2.gz LKUBNQUPRXKWNZ-UHFFFAOYSA-N -2 0 363.801 2.749 20 0 FFADRL CC(C)(CC(=O)[O-])NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001588758505 1080182498 /nfs/dbraw/zinc/18/24/98/1080182498.db2.gz QWAOFUGEUYSIBE-UHFFFAOYSA-N -2 0 371.315 2.580 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@H](C(=O)[O-])C(C)C)n2)cc1 ZINC001588963138 1080284155 /nfs/dbraw/zinc/28/41/55/1080284155.db2.gz VXTKQQBNBHVCAX-HNNXBMFYSA-N -2 0 359.426 2.788 20 0 FFADRL C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ncc(Br)cc2[O-])c1 ZINC001589532516 1080588594 /nfs/dbraw/zinc/58/85/94/1080588594.db2.gz QXTFOKMXAWWEPD-MRVPVSSYSA-N -2 0 365.183 2.990 20 0 FFADRL CC(C)(C(=O)[O-])c1csc(NC(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC001589655640 1080654628 /nfs/dbraw/zinc/65/46/28/1080654628.db2.gz CQACRYUTPNDEQP-UHFFFAOYSA-N -2 0 363.395 2.776 20 0 FFADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000410409793 512255978 /nfs/dbraw/zinc/25/59/78/512255978.db2.gz FZKYWUIGOAWDAG-UHFFFAOYSA-N 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507798372 /nfs/dbraw/zinc/79/83/72/507798372.db2.gz SOPOJFAHVXPWDW-UHFFFAOYSA-N -2 0 360.391 2.628 20 0 FFADRL CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2SC(C)C)co1 ZINC000157038474 508513724 /nfs/dbraw/zinc/51/37/24/508513724.db2.gz PGPMULPTHSGOFK-UHFFFAOYSA-N -2 0 354.453 2.941 20 0 FFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000145528701 508845260 /nfs/dbraw/zinc/84/52/60/508845260.db2.gz RGZHCMLMYZXDBN-UHFFFAOYSA-N -2 0 356.743 2.747 20 0 FFADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000126861261 509139092 /nfs/dbraw/zinc/13/90/92/509139092.db2.gz OPXCJTZZQJRJMP-UHFFFAOYSA-N -2 0 350.396 2.976 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)c1 ZINC000156323388 509160046 /nfs/dbraw/zinc/16/00/46/509160046.db2.gz YIEVBNFQKZBIQH-UHFFFAOYSA-N -2 0 363.370 2.818 20 0 FFADRL O=C1CCCc2cc(S(=O)(=O)Nc3cc(O)cc(F)c3)ccc2N1 ZINC000179329815 509379080 /nfs/dbraw/zinc/37/90/80/509379080.db2.gz CXQKZTCLCMZGGL-UHFFFAOYSA-N -2 0 350.371 2.607 20 0 FFADRL Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000190405352 510112852 /nfs/dbraw/zinc/11/28/52/510112852.db2.gz XLIKLXBDMIRAHP-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000266087476 510402425 /nfs/dbraw/zinc/40/24/25/510402425.db2.gz PFSPHLYAQWEKBC-UHFFFAOYSA-N -2 0 355.441 2.685 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c1 ZINC000187726282 510403950 /nfs/dbraw/zinc/40/39/50/510403950.db2.gz XQOSIWVMJODIPI-SNVBAGLBSA-N -2 0 367.402 2.801 20 0 FFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000181660592 510526278 /nfs/dbraw/zinc/52/62/78/510526278.db2.gz MLSXXHJPOQTDMH-UHFFFAOYSA-N -2 0 351.428 2.655 20 0 FFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000181701841 510547182 /nfs/dbraw/zinc/54/71/82/510547182.db2.gz FVFBGJWMWHQDMO-UHFFFAOYSA-N -2 0 365.455 2.963 20 0 FFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000326810907 511863721 /nfs/dbraw/zinc/86/37/21/511863721.db2.gz VKPGPHPUYPGNQR-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc(OC)c1 ZINC000327143439 511870010 /nfs/dbraw/zinc/87/00/10/511870010.db2.gz WGFIVPRFJNXFGP-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)CC1CC(F)(F)C1 ZINC000296971173 511971792 /nfs/dbraw/zinc/97/17/92/511971792.db2.gz OQQLPXURLYRXOD-UHFFFAOYSA-N -2 0 363.382 2.961 20 0 FFADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000274890848 511978033 /nfs/dbraw/zinc/97/80/33/511978033.db2.gz FXSWDKDDQAZHMC-UHFFFAOYSA-N -2 0 369.468 2.579 20 0 FFADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)c2)o1 ZINC000370269748 512851170 /nfs/dbraw/zinc/85/11/70/512851170.db2.gz VORJSAPJGMVXRG-UHFFFAOYSA-N -2 0 374.374 2.855 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(Cl)c1 ZINC000391500920 512916819 /nfs/dbraw/zinc/91/68/19/512916819.db2.gz YCVGKZCSHKAFRC-UHFFFAOYSA-N -2 0 353.783 2.869 20 0 FFADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000392596599 512925986 /nfs/dbraw/zinc/92/59/86/512925986.db2.gz HLGFWKMXIGGJAO-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000446619682 513296758 /nfs/dbraw/zinc/29/67/58/513296758.db2.gz IHQXCJYZMOGGGT-UHFFFAOYSA-N -2 0 367.448 2.845 20 0 FFADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000447114208 513402295 /nfs/dbraw/zinc/40/22/95/513402295.db2.gz PQPZUGCQDYGLOM-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1ccc(Br)cc1-c1n[n-]c(=N[C@@H](C)CC(=O)[O-])s1 ZINC000416428352 513767984 /nfs/dbraw/zinc/76/79/84/513767984.db2.gz UDRXQORKOXMUFX-QMMMGPOBSA-N -2 0 356.245 3.551 20 0 FFADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000436169615 513782217 /nfs/dbraw/zinc/78/22/17/513782217.db2.gz HLCDQDPWZXGCFA-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL Cc1nn(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c1C(F)F ZINC000414161632 513994693 /nfs/dbraw/zinc/99/46/93/513994693.db2.gz FWAZCRPELRFSGN-UHFFFAOYSA-N -2 0 373.381 2.782 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(Cl)cc1F ZINC000436993969 514067191 /nfs/dbraw/zinc/06/71/91/514067191.db2.gz JLSMFROFAPFCOC-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL CC(C)C[C@@H](CNC(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)C(=O)[O-] ZINC000424383628 514467376 /nfs/dbraw/zinc/46/73/76/514467376.db2.gz QFVVJKCPDFJLMK-QRGHLMKCSA-N -2 0 364.427 3.170 20 0 FFADRL Cc1cc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc(C(=O)[O-])c1C ZINC000484560824 514689753 /nfs/dbraw/zinc/68/97/53/514689753.db2.gz SRNJJEKDUNNDTE-UHFFFAOYSA-N -2 0 363.391 2.525 20 0 FFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])o1 ZINC000484802176 514800806 /nfs/dbraw/zinc/80/08/06/514800806.db2.gz ILBPQLQOEFFBHV-UHFFFAOYSA-N -2 0 373.770 2.527 20 0 FFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000484974381 514861158 /nfs/dbraw/zinc/86/11/58/514861158.db2.gz LTEXYOQNQGYJNQ-UHFFFAOYSA-N -2 0 367.398 2.961 20 0 FFADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C ZINC000480239704 514893448 /nfs/dbraw/zinc/89/34/48/514893448.db2.gz HSAWKBJWDPUAAB-SNVBAGLBSA-N -2 0 351.428 2.970 20 0 FFADRL C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000489740631 514957003 /nfs/dbraw/zinc/95/70/03/514957003.db2.gz PXXLCEMBUMRZFT-JOCHJYFZSA-N -2 0 373.839 2.576 20 0 FFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C)cc2C)c1OC ZINC000467299418 514969571 /nfs/dbraw/zinc/96/95/71/514969571.db2.gz JQXGAXHKWCAOFA-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC000476396768 515033846 /nfs/dbraw/zinc/03/38/46/515033846.db2.gz JVTPFFLLIIWXQP-UHFFFAOYSA-N -2 0 360.844 2.899 20 0 FFADRL Cc1cc(C(=O)Nc2nc(C(C)(C)C)cs2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000467983920 515187249 /nfs/dbraw/zinc/18/72/49/515187249.db2.gz MKJVUCFTVMUDNL-UHFFFAOYSA-N -2 0 359.411 2.751 20 0 FFADRL CCOc1cc(C)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000468030672 515200984 /nfs/dbraw/zinc/20/09/84/515200984.db2.gz MIOMRXKGAQBQQO-UHFFFAOYSA-N -2 0 354.366 2.704 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000509660774 515280560 /nfs/dbraw/zinc/28/05/60/515280560.db2.gz FSLZNPVDVPOUPO-UHFFFAOYSA-N -2 0 371.418 2.739 20 0 FFADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1)C(=O)[O-] ZINC000504696023 515357705 /nfs/dbraw/zinc/35/77/05/515357705.db2.gz VFJLVDUPZQPAKG-VIFPVBQESA-N -2 0 356.400 2.587 20 0 FFADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000478677573 515921643 /nfs/dbraw/zinc/92/16/43/515921643.db2.gz RXGNJPHNWLWQCK-MRVPVSSYSA-N -2 0 355.441 2.859 20 0 FFADRL Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C(=O)[O-])cc1C ZINC000478704643 515933564 /nfs/dbraw/zinc/93/35/64/515933564.db2.gz UMTZGBBDFIHKRS-UHFFFAOYSA-N -2 0 363.391 2.809 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c(O)c1 ZINC000539942996 516366264 /nfs/dbraw/zinc/36/62/64/516366264.db2.gz VHTJOSDDVRTJOY-UHFFFAOYSA-N -2 0 363.391 2.549 20 0 FFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])s1 ZINC000523186625 516406213 /nfs/dbraw/zinc/40/62/13/516406213.db2.gz NUMGAGMTJNVPRM-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000547639728 516456687 /nfs/dbraw/zinc/45/66/87/516456687.db2.gz VXNVBBPWHXBJQY-SNVBAGLBSA-N -2 0 373.381 2.527 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2n[nH]cc2c(C)c1 ZINC000535747173 516484446 /nfs/dbraw/zinc/48/44/46/516484446.db2.gz UZTCGDJWXUBDGQ-UHFFFAOYSA-N -2 0 351.409 2.740 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1CC(=O)[O-] ZINC000540338597 516517255 /nfs/dbraw/zinc/51/72/55/516517255.db2.gz RWXRCWITYUJMAW-UHFFFAOYSA-N -2 0 372.402 2.671 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)cn1 ZINC000547872052 516611704 /nfs/dbraw/zinc/61/17/04/516611704.db2.gz PUIULWUIEBASNI-UHFFFAOYSA-N -2 0 368.436 2.701 20 0 FFADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000555206182 516828541 /nfs/dbraw/zinc/82/85/41/516828541.db2.gz LAJLKJMDMZPFBD-UHFFFAOYSA-N -2 0 369.420 2.854 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])cn1 ZINC000544632058 516845830 /nfs/dbraw/zinc/84/58/30/516845830.db2.gz HBZKREXYRBUZQQ-UHFFFAOYSA-N -2 0 370.814 2.941 20 0 FFADRL Cc1cc(C(=O)Nc2ccccc2OC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000525383736 517023948 /nfs/dbraw/zinc/02/39/48/517023948.db2.gz XXJRNQSPVZDNBE-UHFFFAOYSA-N -2 0 354.366 2.784 20 0 FFADRL CN(C)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000548528252 517036655 /nfs/dbraw/zinc/03/66/55/517036655.db2.gz IEQBWQVPGSLQJA-UHFFFAOYSA-N -2 0 356.350 2.530 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cn2)cc1C(=O)[O-] ZINC000548528104 517037117 /nfs/dbraw/zinc/03/71/17/517037117.db2.gz BUYZOMJCQUMQJJ-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000537395092 517168962 /nfs/dbraw/zinc/16/89/62/517168962.db2.gz RRXNADYXWCLSMW-UHFFFAOYSA-N -2 0 371.798 2.618 20 0 FFADRL CSc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000539399199 518027088 /nfs/dbraw/zinc/02/70/88/518027088.db2.gz JCAFWQQOKKRGSN-UHFFFAOYSA-N -2 0 353.421 2.922 20 0 FFADRL COc1ccnc2c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cccc12 ZINC000535053389 518139354 /nfs/dbraw/zinc/13/93/54/518139354.db2.gz OIHUQCSLDNNJIY-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([C@@H](C)OC)c1 ZINC000588832996 518841351 /nfs/dbraw/zinc/84/13/51/518841351.db2.gz BMDPBHCNKZQSPI-LLVKDONJSA-N -2 0 365.407 2.902 20 0 FFADRL CC(=O)c1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1O ZINC000580952466 519446125 /nfs/dbraw/zinc/44/61/25/519446125.db2.gz GCXSMXCZHLHWOL-MRXNPFEDSA-N -2 0 355.390 2.801 20 0 FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)CC1CC(F)(F)C1 ZINC000578298074 519519323 /nfs/dbraw/zinc/51/93/23/519519323.db2.gz ABICJZSYPONUAJ-UHFFFAOYSA-N -2 0 367.345 2.710 20 0 FFADRL O=C([O-])CCCOC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000738582111 597834856 /nfs/dbraw/zinc/83/48/56/597834856.db2.gz PWNWCEOUKRFDGC-UHFFFAOYSA-N -2 0 369.420 2.571 20 0 FFADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000766897039 598201684 /nfs/dbraw/zinc/20/16/84/598201684.db2.gz WKHFMTRRRXMYOX-UHFFFAOYSA-N -2 0 361.206 2.816 20 0 FFADRL CCCc1c(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)[nH]c(C)c1C(=O)[O-] ZINC000737043271 599750877 /nfs/dbraw/zinc/75/08/77/599750877.db2.gz IMADYQVIORCQES-UHFFFAOYSA-N -2 0 370.365 2.569 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000322113489 599923750 /nfs/dbraw/zinc/92/37/50/599923750.db2.gz PKZPURYWSYXAIL-UHFFFAOYSA-N -2 0 371.827 2.857 20 0 FFADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)c(F)c1 ZINC000737890405 599926741 /nfs/dbraw/zinc/92/67/41/599926741.db2.gz YMRJSXCNXRWEFV-UHFFFAOYSA-N -2 0 363.363 2.842 20 0 FFADRL O=C([O-])CC[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000739660031 599981986 /nfs/dbraw/zinc/98/19/86/599981986.db2.gz SOCQFJJNLODWOV-IRXDYDNUSA-N -2 0 355.390 2.967 20 0 FFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(F)cc2F)NC(=O)N1CCCCC(=O)[O-] ZINC000736749501 599989021 /nfs/dbraw/zinc/98/90/21/599989021.db2.gz CFUVNMSJJCPXSD-OAHLLOKOSA-N -2 0 368.336 2.645 20 0 FFADRL CCCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736983257 600044623 /nfs/dbraw/zinc/04/46/23/600044623.db2.gz CSZQGSPXQJQUAW-UHFFFAOYSA-N -2 0 367.345 2.789 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c1 ZINC000740270799 600055556 /nfs/dbraw/zinc/05/55/56/600055556.db2.gz FKMRBAQTUHIXDI-UHFFFAOYSA-N -2 0 358.466 2.973 20 0 FFADRL CC(C)c1ccc(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c(C(=O)[O-])c1 ZINC000736515165 600074589 /nfs/dbraw/zinc/07/45/89/600074589.db2.gz LFQDOABWTDMSOH-UHFFFAOYSA-N -2 0 368.349 2.510 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)o1 ZINC000323930558 600103015 /nfs/dbraw/zinc/10/30/15/600103015.db2.gz YYIZNRBKQVKAAR-UHFFFAOYSA-N -2 0 350.396 2.769 20 0 FFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c1C(=O)[O-] ZINC000738827024 600232279 /nfs/dbraw/zinc/23/22/79/600232279.db2.gz FNMYMGWHCGQDRR-UHFFFAOYSA-N -2 0 365.411 2.539 20 0 FFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1cccc(F)c1 ZINC000736549142 600245511 /nfs/dbraw/zinc/24/55/11/600245511.db2.gz SHOQXFVCPLGIRI-SECBINFHSA-N -2 0 371.411 2.584 20 0 FFADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])c2ccccc21 ZINC000388038068 600365363 /nfs/dbraw/zinc/36/53/63/600365363.db2.gz MDJJJBOTZKXFKL-GFCCVEGCSA-N -2 0 362.179 2.983 20 0 FFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cn1 ZINC000833274574 600670507 /nfs/dbraw/zinc/67/05/07/600670507.db2.gz DSSHIHUKQBJTHM-UHFFFAOYSA-N -2 0 373.390 2.561 20 0 FFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000831434748 600689316 /nfs/dbraw/zinc/68/93/16/600689316.db2.gz AYYGTCNXELHAAL-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(F)cc1F ZINC000740088440 600784569 /nfs/dbraw/zinc/78/45/69/600784569.db2.gz WIGTYNUILVISAQ-UHFFFAOYSA-N -2 0 367.251 2.881 20 0 FFADRL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000827139231 600983660 /nfs/dbraw/zinc/98/36/60/600983660.db2.gz HDLPDRKOXLKOFP-UHFFFAOYSA-N -2 0 356.425 2.531 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2nc(C)oc2c1 ZINC000831946334 601151265 /nfs/dbraw/zinc/15/12/65/601151265.db2.gz UUFLBCRQMWFGMD-UHFFFAOYSA-N -2 0 368.392 2.705 20 0 FFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1n[nH]c2cccc(F)c21 ZINC000833317782 601201447 /nfs/dbraw/zinc/20/14/47/601201447.db2.gz HZGBQUBANVVMLK-UHFFFAOYSA-N -2 0 369.761 2.854 20 0 FFADRL Cc1oc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc1C(=O)[O-] ZINC000833028766 601217278 /nfs/dbraw/zinc/21/72/78/601217278.db2.gz QUNWIFLXFNYWBE-GFCCVEGCSA-N -2 0 363.313 2.868 20 0 FFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)s1 ZINC000832996039 601250070 /nfs/dbraw/zinc/25/00/70/601250070.db2.gz PHTJSPRQHGKXQQ-UHFFFAOYSA-N -2 0 372.493 2.879 20 0 FFADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC000063180329 601325414 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FFADRL COc1cc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)ccc1C(=O)[O-] ZINC000432778115 514282766 /nfs/dbraw/zinc/28/27/66/514282766.db2.gz GCGBXUPWTMJAQI-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c(F)c1 ZINC000438800391 514443483 /nfs/dbraw/zinc/44/34/83/514443483.db2.gz MPVXHPZOMMHXHX-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(O)c1 ZINC000461339232 514573171 /nfs/dbraw/zinc/57/31/71/514573171.db2.gz DJBWLIJBLLXOEW-UHFFFAOYSA-N -2 0 367.326 2.972 20 0 FFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])oc1C ZINC000484500350 514668373 /nfs/dbraw/zinc/66/83/73/514668373.db2.gz ICGAISUSVFGNGM-UHFFFAOYSA-N -2 0 373.770 2.527 20 0 FFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000484983052 514864481 /nfs/dbraw/zinc/86/44/81/514864481.db2.gz AWQHHOIXWSAHHA-UHFFFAOYSA-N -2 0 371.361 2.791 20 0 FFADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000480226464 514889329 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FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)c(F)c1 ZINC000464561432 515874648 /nfs/dbraw/zinc/87/46/48/515874648.db2.gz PQKICKGVHYWRME-UHFFFAOYSA-N -2 0 351.355 2.650 20 0 FFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])c1 ZINC000478679489 515921735 /nfs/dbraw/zinc/92/17/35/515921735.db2.gz JPFFUPMSFCPNPS-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000506619805 515933817 /nfs/dbraw/zinc/93/38/17/515933817.db2.gz ZLTGIIORYKIHAJ-UHFFFAOYSA-N -2 0 365.407 2.649 20 0 FFADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000506731048 515965857 /nfs/dbraw/zinc/96/58/57/515965857.db2.gz OUQNIDZEVJWQBR-UHFFFAOYSA-N -2 0 367.251 2.881 20 0 FFADRL CCOc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)ccc1C ZINC000501290566 516047947 /nfs/dbraw/zinc/04/79/47/516047947.db2.gz QAYXGCVXOTUTKE-UHFFFAOYSA-N -2 0 354.366 2.704 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c(F)c1 ZINC000479207101 516108004 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CCc1nc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3O)ccc2o1 ZINC000547541566 516397196 /nfs/dbraw/zinc/39/71/96/516397196.db2.gz XWWGFBRVFWEBOU-UHFFFAOYSA-N -2 0 362.363 2.595 20 0 FFADRL Cc1sc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC000547551189 516402901 /nfs/dbraw/zinc/40/29/01/516402901.db2.gz KNBJZIFWFWLAMB-UHFFFAOYSA-N -2 0 374.371 2.911 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)n(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000540039592 516413475 /nfs/dbraw/zinc/41/34/75/516413475.db2.gz MQKAQDCYSOSNGW-UHFFFAOYSA-N -2 0 374.422 2.501 20 0 FFADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1F ZINC000547610306 516433757 /nfs/dbraw/zinc/43/37/57/516433757.db2.gz KSBGEVZPLPIGHF-UHFFFAOYSA-N -2 0 367.251 2.881 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C ZINC000535745112 516483197 /nfs/dbraw/zinc/48/31/97/516483197.db2.gz IEIUXXCIBSJYBZ-UHFFFAOYSA-N -2 0 357.457 2.716 20 0 FFADRL CC(C)(CCNS(=O)(=O)c1cccnc1C(F)(F)F)CCC(=O)[O-] ZINC000554533115 516490774 /nfs/dbraw/zinc/49/07/74/516490774.db2.gz IQGKUBBXXCGZFE-UHFFFAOYSA-N -2 0 368.377 2.660 20 0 FFADRL COCc1ccc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])cc1 ZINC000547915089 516632354 /nfs/dbraw/zinc/63/23/54/516632354.db2.gz WGHOUQJHAHMTFK-UHFFFAOYSA-N -2 0 353.371 2.780 20 0 FFADRL Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)s2)cs1 ZINC000547914587 516632388 /nfs/dbraw/zinc/63/23/88/516632388.db2.gz GOXIMHYTDYNZIF-GFCCVEGCSA-N -2 0 374.509 2.958 20 0 FFADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000531836345 516667829 /nfs/dbraw/zinc/66/78/29/516667829.db2.gz IODBWUCEEBXGPD-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)c(C(=O)[O-])c1 ZINC000551466966 516718549 /nfs/dbraw/zinc/71/85/49/516718549.db2.gz LMPLWRXKLMPHFH-UHFFFAOYSA-N -2 0 374.418 2.994 20 0 FFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000532110635 516805281 /nfs/dbraw/zinc/80/52/81/516805281.db2.gz QZRHZWCUOZUWQC-UHFFFAOYSA-N -2 0 363.363 2.842 20 0 FFADRL Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c(Cl)c1 ZINC000548198986 516823150 /nfs/dbraw/zinc/82/31/50/516823150.db2.gz IDJMZHFSDDDNCP-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1)C(=O)[O-] ZINC000548596619 517074710 /nfs/dbraw/zinc/07/47/10/517074710.db2.gz PLMIRBARCPZOCY-NSHDSACASA-N -2 0 359.407 2.627 20 0 FFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1C ZINC000537195900 517079932 /nfs/dbraw/zinc/07/99/32/517079932.db2.gz DMEHEUPZAYHPIM-SNVBAGLBSA-N -2 0 367.427 2.670 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC(C)C)nc2)cc1C(=O)[O-] ZINC000515651366 517434903 /nfs/dbraw/zinc/43/49/03/517434903.db2.gz HGGBCVPJHHYOEH-UHFFFAOYSA-N -2 0 364.423 2.985 20 0 FFADRL Cc1c(Br)cc([N-]S(=O)(=O)c2cccnc2)cc1C(=O)[O-] ZINC000560084170 517571622 /nfs/dbraw/zinc/57/16/22/517571622.db2.gz YPQPUHSXEKBMHY-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000533690836 517573546 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FFADRL CCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C1CC1 ZINC000563784001 518121383 /nfs/dbraw/zinc/12/13/83/518121383.db2.gz HDOREOGQDHAYLH-UHFFFAOYSA-N -2 0 355.441 2.731 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000535138772 518156308 /nfs/dbraw/zinc/15/63/08/518156308.db2.gz URVSPIPHERIUQT-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000535136443 518156625 /nfs/dbraw/zinc/15/66/25/518156625.db2.gz CBYRZNZYNOLWHV-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CCC[C@@](C)(NS(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000579953207 518936309 /nfs/dbraw/zinc/93/63/09/518936309.db2.gz KBKVRAGLLDCMPC-CYBMUJFWSA-N -2 0 371.789 2.863 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(C)c1-c1ccccc1 ZINC000580416817 519165594 /nfs/dbraw/zinc/16/55/94/519165594.db2.gz FPPIGSRERJPWDN-UHFFFAOYSA-N -2 0 371.418 2.895 20 0 FFADRL CCC[C@H](C)c1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n[nH]1 ZINC000616447738 520019368 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509031574 /nfs/dbraw/zinc/03/15/74/509031574.db2.gz RICTVHATIKHROB-UHFFFAOYSA-N -2 0 352.394 2.779 20 0 FFADRL CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1cc(C)cc(C)c1 ZINC000151704630 509069875 /nfs/dbraw/zinc/06/98/75/509069875.db2.gz WVJJKMBQRRYTPC-UHFFFAOYSA-N -2 0 352.394 2.616 20 0 FFADRL Cc1ccc(C(=O)NCCCCN(C)C(=O)c2ccc(C)cc2O)c(O)c1 ZINC000120854432 509076685 /nfs/dbraw/zinc/07/66/85/509076685.db2.gz NPJVHLUWXPBUJC-UHFFFAOYSA-N -2 0 370.449 2.997 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000133258026 509139306 /nfs/dbraw/zinc/13/93/06/509139306.db2.gz URBBIRDCYHNGED-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000266814303 509206814 /nfs/dbraw/zinc/20/68/14/509206814.db2.gz WYWPGYQTTJWSJZ-UHFFFAOYSA-N -2 0 366.395 2.682 20 0 FFADRL CO[C@H](C)CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1[O-] ZINC000193332905 509870353 /nfs/dbraw/zinc/87/03/53/509870353.db2.gz KCEXEYVUJDUMGI-ZCFIWIBFSA-N -2 0 358.641 2.585 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1C1CCCC1 ZINC000194223450 510268965 /nfs/dbraw/zinc/26/89/65/510268965.db2.gz VHZOXEMIAIRQLY-UHFFFAOYSA-N -2 0 355.441 2.867 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1C1CCCC1 ZINC000194228857 510270825 /nfs/dbraw/zinc/27/08/25/510270825.db2.gz ZANGWDVZELYGBT-UHFFFAOYSA-N -2 0 367.402 2.945 20 0 FFADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCCCCCCC(=O)[O-] ZINC000271978095 511389571 /nfs/dbraw/zinc/38/95/71/511389571.db2.gz UPZFPJXEXYCBEB-UHFFFAOYSA-N -2 0 370.471 2.603 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)c1C ZINC000281170719 511747026 /nfs/dbraw/zinc/74/70/26/511747026.db2.gz PVXQNEVBHPZVQT-UHFFFAOYSA-N -2 0 351.428 2.659 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cccnc2OC(C)C)cc1C(=O)[O-] ZINC000324398684 511836321 /nfs/dbraw/zinc/83/63/21/511836321.db2.gz ANWXBUFSRRUIRV-UHFFFAOYSA-N -2 0 350.396 2.676 20 0 FFADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000324659098 511839084 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CN(CCCC(=O)[O-])C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000417771215 513200504 /nfs/dbraw/zinc/20/05/04/513200504.db2.gz HNUCTHZJRLCXIJ-UHFFFAOYSA-N -2 0 360.395 3.280 20 0 FFADRL CN(CCCC(=O)[O-])C(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000417772300 513202120 /nfs/dbraw/zinc/20/21/20/513202120.db2.gz JFCNVPOPCYKPCT-UHFFFAOYSA-N -2 0 372.809 3.326 20 0 FFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)n[nH]2)o1 ZINC000446620515 513297532 /nfs/dbraw/zinc/29/75/32/513297532.db2.gz PVZMVJCNZOMAKC-UHFFFAOYSA-N -2 0 367.408 2.847 20 0 FFADRL CCOc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000451071305 513497716 /nfs/dbraw/zinc/49/77/16/513497716.db2.gz LPEJJPSAISLMDV-UHFFFAOYSA-N -2 0 364.423 2.607 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1OC ZINC000435714242 513664827 /nfs/dbraw/zinc/66/48/27/513664827.db2.gz JBWIQADWJQRVEQ-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL CCCc1n[n-]c(=NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])s1 ZINC000436426607 513851687 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COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000540040407 516414860 /nfs/dbraw/zinc/41/48/60/516414860.db2.gz RHFYDIAPESWTPJ-UHFFFAOYSA-N -2 0 363.391 2.519 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])sc1C(=O)[O-] ZINC000523589426 516513336 /nfs/dbraw/zinc/51/33/36/516513336.db2.gz KYIKWHLRTNWLEO-UHFFFAOYSA-N -3 0 369.420 2.871 20 0 FFADRL O=C([O-])c1cccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c1 ZINC000547811968 516576026 /nfs/dbraw/zinc/57/60/26/516576026.db2.gz QCDKEPWJXMAWCR-XYOKQWHBSA-N -2 0 362.341 2.737 20 0 FFADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000547911108 516630420 /nfs/dbraw/zinc/63/04/20/516630420.db2.gz HHSWVKHNUZAWKC-UHFFFAOYSA-N -2 0 351.428 2.700 20 0 FFADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000558248990 516665421 /nfs/dbraw/zinc/66/54/21/516665421.db2.gz RJHYHRBCOYZLAE-UHFFFAOYSA-N -2 0 368.436 2.538 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1ccccc1 ZINC000555120865 516791752 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FFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000739923577 602652193 /nfs/dbraw/zinc/65/21/93/602652193.db2.gz JOIHNAYUIWPYRW-UHFFFAOYSA-N -2 0 352.368 2.595 20 0 FFADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c1C ZINC000739787968 602653031 /nfs/dbraw/zinc/65/30/31/602653031.db2.gz FDZIJDXEDLFDAU-UHFFFAOYSA-N -2 0 364.379 2.672 20 0 FFADRL CCN(Cc1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1)C(=O)[O-] ZINC000739448809 602654381 /nfs/dbraw/zinc/65/43/81/602654381.db2.gz YJYAGULTGBLFJD-UHFFFAOYSA-N -2 0 353.400 2.592 20 0 FFADRL O=C([O-])Nc1cc2c(cc1[N-]S(=O)(=O)c1c(F)cccc1F)OCO2 ZINC000832828550 603889123 /nfs/dbraw/zinc/88/91/23/603889123.db2.gz HSKPYAIHTSKUCE-UHFFFAOYSA-N -2 0 372.305 2.584 20 0 FFADRL O=C([O-])c1ccc(OCCNC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000833321166 604265517 /nfs/dbraw/zinc/26/55/17/604265517.db2.gz KMBSFNSFTARWLY-UHFFFAOYSA-N -2 0 353.733 2.692 20 0 FFADRL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000830000850 604275352 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Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000832954486 604887481 /nfs/dbraw/zinc/88/74/81/604887481.db2.gz HOSKBFUGOOMEEE-UHFFFAOYSA-N -2 0 371.773 2.604 20 0 FFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1n[nH]c2c1cccc2Cl ZINC000833295031 605014319 /nfs/dbraw/zinc/01/43/19/605014319.db2.gz WSHKBDITOUHXHB-UHFFFAOYSA-N -2 0 369.761 2.854 20 0 FFADRL CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833557091 605090764 /nfs/dbraw/zinc/09/07/64/605090764.db2.gz MIYXDJZCOIIFBZ-VIFPVBQESA-N -2 0 359.831 2.669 20 0 FFADRL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833561138 605117248 /nfs/dbraw/zinc/11/72/48/605117248.db2.gz MWHQMNSTNNYSLC-SNVBAGLBSA-N -2 0 359.469 2.858 20 0 FFADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)s1 ZINC000833449445 605118957 /nfs/dbraw/zinc/11/89/57/605118957.db2.gz UQMRCDMYISTMFV-UHFFFAOYSA-N -2 0 373.496 2.742 20 0 FFADRL Cc1oc(CN(C)C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])cc1C(=O)[O-] ZINC000833936126 606054961 /nfs/dbraw/zinc/05/49/61/606054961.db2.gz VQOZOFRFKJPNTN-AWEZNQCLSA-N -2 0 374.393 2.514 20 0 FFADRL O=C([O-])NC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)Cc2ccccc2C1 ZINC000834154058 606056746 /nfs/dbraw/zinc/05/67/46/606056746.db2.gz MLEKWUOSFQGJNI-UHFFFAOYSA-N -2 0 374.780 2.782 20 0 FFADRL O=C([O-])NC1(CC(=O)NCc2c3ccccc3sc2C(=O)[O-])CCC1 ZINC000834155322 606059614 /nfs/dbraw/zinc/05/96/14/606059614.db2.gz NICGTTBJLSVZKM-UHFFFAOYSA-N -2 0 362.407 2.796 20 0 FFADRL O=C([O-])CSCc1cccc(NC(=O)c2ccc(CNC(=O)[O-])o2)c1 ZINC000834065382 606060553 /nfs/dbraw/zinc/06/05/53/606060553.db2.gz LOVONVAFUMGKRV-UHFFFAOYSA-N -2 0 364.379 2.617 20 0 FFADRL O=C([O-])CCSCc1cccc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])c1 ZINC000834060783 606060584 /nfs/dbraw/zinc/06/05/84/606060584.db2.gz WGEUBEMLXDOURW-KBPBESRZSA-N -2 0 366.439 2.769 20 0 FFADRL O=C([O-])CCSCc1cccc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])c1 ZINC000834060785 606060823 /nfs/dbraw/zinc/06/08/23/606060823.db2.gz WGEUBEMLXDOURW-UONOGXRCSA-N -2 0 366.439 2.769 20 0 FFADRL O=C([O-])N[C@@H](CCC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000834136916 606068637 /nfs/dbraw/zinc/06/86/37/606068637.db2.gz ILECXKLCCXEAMU-RDJZCZTQSA-N -2 0 374.368 2.857 20 0 FFADRL O=C([O-])NCCOc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000834244307 606072099 /nfs/dbraw/zinc/07/20/99/606072099.db2.gz GDSNTWBOUJJMGS-UHFFFAOYSA-N -2 0 364.398 2.697 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cnc1Cl ZINC000160284525 728919763 /nfs/dbraw/zinc/91/97/63/728919763.db2.gz KFMWDXURDPQTEM-UHFFFAOYSA-N -2 0 362.741 2.821 20 0 FFADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000185569323 729351969 /nfs/dbraw/zinc/35/19/69/729351969.db2.gz RBQNIWIYUKAYFE-UHFFFAOYSA-N -2 0 361.206 2.816 20 0 FFADRL CCn1cc(S(=O)(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1C(=O)[O-] ZINC000295150455 729724508 /nfs/dbraw/zinc/72/45/08/729724508.db2.gz BLZHSPHDPOLLFM-ZDUSSCGKSA-N -2 0 364.423 2.511 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000326478028 729790067 /nfs/dbraw/zinc/79/00/67/729790067.db2.gz CCLGETXVIWCXPP-UHFFFAOYSA-N -2 0 374.733 2.886 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)cc1C(=O)[O-] ZINC000328422331 729794253 /nfs/dbraw/zinc/79/42/53/729794253.db2.gz SQUODNMBXVTLOJ-UHFFFAOYSA-N -2 0 367.427 2.605 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)cc(C(=O)[O-])c1C ZINC000427307366 729866380 /nfs/dbraw/zinc/86/63/80/729866380.db2.gz HOSJQWZXVSKTMA-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)ccc1C ZINC000507564457 729926510 /nfs/dbraw/zinc/92/65/10/729926510.db2.gz HSZIBRVHPLRDLT-UHFFFAOYSA-N -2 0 362.407 2.761 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)sc1C(=O)[O-] ZINC000507580588 729926659 /nfs/dbraw/zinc/92/66/59/729926659.db2.gz PAVXRSDEHYKILF-UHFFFAOYSA-N -2 0 355.393 2.562 20 0 FFADRL CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C)C(C)C ZINC000647132311 730719246 /nfs/dbraw/zinc/71/92/46/730719246.db2.gz JFETZTNRQQFVLQ-CQSZACIVSA-N -2 0 359.444 2.585 20 0 FFADRL O=C([O-])C1(CNC(=O)c2cc(Cl)cc(Br)c2[O-])CCC1 ZINC000659784960 731998004 /nfs/dbraw/zinc/99/80/04/731998004.db2.gz MQEOZLACBWCXPQ-UHFFFAOYSA-N -2 0 362.607 2.793 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc2onc(C)c2c1 ZINC000674336724 733697983 /nfs/dbraw/zinc/69/79/83/733697983.db2.gz YUXUUFJXDBVREK-UHFFFAOYSA-N -2 0 361.379 2.593 20 0 FFADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000685902263 734350861 /nfs/dbraw/zinc/35/08/61/734350861.db2.gz ANIIUWQSOJXDKX-UHFFFAOYSA-N -2 0 374.340 2.837 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000742231792 735213025 /nfs/dbraw/zinc/21/30/25/735213025.db2.gz XNPUNCSVXFTJFC-UHFFFAOYSA-N -2 0 365.194 2.976 20 0 FFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000751213885 735854079 /nfs/dbraw/zinc/85/40/79/735854079.db2.gz CQMQFDZOOODJJV-UHFFFAOYSA-N -2 0 353.371 2.901 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2scnc2C2CC2)cc(C(=O)[O-])c1F ZINC000762475701 736828150 /nfs/dbraw/zinc/82/81/50/736828150.db2.gz KJIUVCAYAHKKEM-UHFFFAOYSA-N -2 0 356.400 2.967 20 0 FFADRL O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)O1 ZINC000911804784 737233875 /nfs/dbraw/zinc/23/38/75/737233875.db2.gz FOSGNQRAIMRXLE-QWHCGFSZSA-N -2 0 361.316 2.666 20 0 FFADRL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1ccc(Cl)cc1F ZINC000916102939 737678306 /nfs/dbraw/zinc/67/83/06/737678306.db2.gz ZIERTKWHHJXTFT-UHFFFAOYSA-N -2 0 373.690 2.736 20 0 FFADRL O=C([O-])[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H]([C@@H]2CCCO2)C1 ZINC000923155993 738247962 /nfs/dbraw/zinc/24/79/62/738247962.db2.gz ATDQEUSOIGJSAZ-KYOSRNDESA-N -2 0 353.802 2.530 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793354316 739771947 /nfs/dbraw/zinc/77/19/47/739771947.db2.gz UJXIQPZLXSZKPD-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1 ZINC000812707368 741647662 /nfs/dbraw/zinc/64/76/62/741647662.db2.gz FBNROZCBERZNIF-ZDUSSCGKSA-N -2 0 360.332 2.627 20 0 FFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000833310029 745782729 /nfs/dbraw/zinc/78/27/29/745782729.db2.gz LRKBJCHVZWCUTR-UHFFFAOYSA-N -2 0 372.196 2.654 20 0 FFADRL Cc1[nH]nc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1C ZINC000322099786 970847040 /nfs/dbraw/zinc/84/70/40/970847040.db2.gz ABWGHUYBSOZRFZ-UHFFFAOYSA-N -2 0 351.409 2.740 20 0 FFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000322868701 970937588 /nfs/dbraw/zinc/93/75/88/970937588.db2.gz FNSGPQQWHVJOIH-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])cc1OC ZINC000323454182 971007293 /nfs/dbraw/zinc/00/72/93/971007293.db2.gz UZCDDOLHVNQCRS-UHFFFAOYSA-N -2 0 357.409 2.573 20 0 FFADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000323528510 971014052 /nfs/dbraw/zinc/01/40/52/971014052.db2.gz JUZDZTWVAWRSGL-UHFFFAOYSA-N -2 0 356.381 2.772 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)ccc1Cl ZINC000325774137 971242900 /nfs/dbraw/zinc/24/29/00/971242900.db2.gz WOMOPIMHJBUINK-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000326950291 971348854 /nfs/dbraw/zinc/34/88/54/971348854.db2.gz YKUYYEWNRILWBQ-UHFFFAOYSA-N -2 0 368.342 2.552 20 0 FFADRL O=C([O-])[C@H]1CC(C(=O)Nc2cccc(Cl)c2[O-])=NN1c1ccccc1 ZINC001594810094 953806344 /nfs/dbraw/zinc/80/63/44/953806344.db2.gz AGIUNAYTHTZPDL-CQSZACIVSA-N -2 0 359.769 2.704 20 0 FFADRL O=C([O-])C1CCC(NC(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC001594729854 957029496 /nfs/dbraw/zinc/02/94/96/957029496.db2.gz ADFRZLVUIQMQLL-UHFFFAOYSA-N -2 0 360.179 2.667 20 0 FFADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000392386893 972478053 /nfs/dbraw/zinc/47/80/53/972478053.db2.gz NGZDCKSSMHNWPH-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL COc1ncc(Br)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236078 1013656098 /nfs/dbraw/zinc/65/60/98/1013656098.db2.gz AHKVXSNZCQLWFQ-UHFFFAOYSA-N -2 0 367.155 2.993 20 0 FFADRL Nc1cccc(-c2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)n1 ZINC001176236376 1013656466 /nfs/dbraw/zinc/65/64/66/1013656466.db2.gz LLSNZFCHJCWWMO-UHFFFAOYSA-N -2 0 350.334 2.866 20 0 FFADRL CC1(C)C(=O)NCc2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c21 ZINC001176244170 1013658591 /nfs/dbraw/zinc/65/85/91/1013658591.db2.gz HNQKOVOSKNSZNX-UHFFFAOYSA-N -2 0 354.362 2.734 20 0 FFADRL C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])[C@@H]1C(=O)[O-] ZINC000874967094 1013937917 /nfs/dbraw/zinc/93/79/17/1013937917.db2.gz SEAKGWXVHRIWAQ-GTNSWQLSSA-N -2 0 357.362 2.790 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000320175208 970625670 /nfs/dbraw/zinc/62/56/70/970625670.db2.gz NKFMFJYLIUQMCR-UHFFFAOYSA-N -2 0 356.743 2.747 20 0 FFADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC001591763380 975867573 /nfs/dbraw/zinc/86/75/73/975867573.db2.gz ROIRGJQIHKOLRM-UHFFFAOYSA-N -2 0 350.371 2.501 20 0 FFADRL CC(C)c1cc(N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)nc(C(C)C)n1 ZINC001591934794 976445096 /nfs/dbraw/zinc/44/50/96/976445096.db2.gz FYRBTVJBPMEZLX-MLZJXEJWSA-N -2 0 361.442 2.725 20 0 FFADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC001592132046 976973638 /nfs/dbraw/zinc/97/36/38/976973638.db2.gz XBCNPQKLEJHXCC-UHFFFAOYSA-N -2 0 351.428 2.627 20 0 FFADRL C[C@@H](CCCc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001592492731 978288341 /nfs/dbraw/zinc/28/83/41/978288341.db2.gz YMJREAICVAKSCC-XXGLHCKMSA-N -2 0 373.449 2.669 20 0 FFADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC001595941324 983093409 /nfs/dbraw/zinc/09/34/09/983093409.db2.gz CQVFLOHMSAZMDR-UHFFFAOYSA-N -2 0 367.379 2.654 20 0 FFADRL CCCc1occc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001596102670 983428189 /nfs/dbraw/zinc/42/81/89/983428189.db2.gz NIUDJKGUEVIVBR-UHFFFAOYSA-N -2 0 371.798 2.702 20 0 FFADRL C[C@@H](Oc1cccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c1)C(=O)[O-] ZINC000058464646 984600742 /nfs/dbraw/zinc/60/07/42/984600742.db2.gz 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COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc3nc(C)oc3c2)c1 ZINC001326178417 1046795884 /nfs/dbraw/zinc/79/58/84/1046795884.db2.gz ZAWJTMHVDKXOQS-UHFFFAOYSA-N -2 0 362.363 2.644 20 0 FFADRL C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(CCC(=O)[O-])CC(=O)[O-] ZINC001589445673 1080536951 /nfs/dbraw/zinc/53/69/51/1080536951.db2.gz VVOKTFGXTJODIK-CQSZACIVSA-N -2 0 370.405 2.542 20 0 FFADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001589451833 1080541250 /nfs/dbraw/zinc/54/12/50/1080541250.db2.gz JLQQFRCTHLFQEJ-FEPKRQSRSA-N -2 0 361.504 2.784 20 0 FFADRL CC(C)C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1Br)C(=O)[O-] ZINC001589654195 1080653634 /nfs/dbraw/zinc/65/36/34/1080653634.db2.gz RHGRZMPNPWGUHE-LLVKDONJSA-N -2 0 354.208 2.540 20 0 FFADRL CC(C)(C)C[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1)C(F)(F)F ZINC001589752217 1080703829 /nfs/dbraw/zinc/70/38/29/1080703829.db2.gz QRYRAENPLPLHBU-SNVBAGLBSA-N -2 0 359.410 2.918 20 0 FFADRL O=C([O-])C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000276162571 256077592 /nfs/dbraw/zinc/07/75/92/256077592.db2.gz RAUFWRKQQPJQHY-LBPRGKRZSA-N -2 0 369.373 2.701 20 0 FFADRL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000276359952 256092929 /nfs/dbraw/zinc/09/29/29/256092929.db2.gz VPJKQSKLKUDWBP-UHFFFAOYSA-N -2 0 355.437 2.744 20 0 FFADRL COC(C)(C)CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1[O-] ZINC000331271535 258180993 /nfs/dbraw/zinc/18/09/93/258180993.db2.gz UZALDAADOQDSIY-UHFFFAOYSA-N -2 0 372.668 2.975 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Br)c(O)c1 ZINC000037592402 506428658 /nfs/dbraw/zinc/42/86/58/506428658.db2.gz IZUKECHDEVHDOO-UHFFFAOYSA-N -2 0 372.196 2.654 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055579614 506786695 /nfs/dbraw/zinc/78/66/95/506786695.db2.gz NNPYHTQLKPDWLF-UHFFFAOYSA-N -2 0 354.315 2.541 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000013278846 506936105 /nfs/dbraw/zinc/93/61/05/506936105.db2.gz KUPFGABYLQQINZ-UHFFFAOYSA-N -2 0 368.392 2.816 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013278851 506936192 /nfs/dbraw/zinc/93/61/92/506936192.db2.gz ROABYPMTUSWNKS-UHFFFAOYSA-N -2 0 368.392 2.816 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2C(=O)[O-])cn1 ZINC000057485303 507277940 /nfs/dbraw/zinc/27/79/40/507277940.db2.gz AVSPSZCLMPCFAJ-UHFFFAOYSA-N -2 0 373.390 2.711 20 0 FFADRL Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000122936058 508610395 /nfs/dbraw/zinc/61/03/95/508610395.db2.gz QCMVVIYQCIJPCA-UHFFFAOYSA-N -2 0 363.830 2.553 20 0 FFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000140574650 508806587 /nfs/dbraw/zinc/80/65/87/508806587.db2.gz ULYIPIODSOLSKJ-UHFFFAOYSA-N -2 0 374.733 2.886 20 0 FFADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000270414251 510800325 /nfs/dbraw/zinc/80/03/25/510800325.db2.gz ITVNOKMBEDYYQG-UHFFFAOYSA-N -2 0 350.396 2.533 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)cc1C(=O)[O-] ZINC000281224741 511765037 /nfs/dbraw/zinc/76/50/37/511765037.db2.gz UFJKPWMCUSPXOL-UHFFFAOYSA-N -2 0 351.428 2.659 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)c(C)c1C(=O)[O-] ZINC000281294961 511794095 /nfs/dbraw/zinc/79/40/95/511794095.db2.gz YJGMTZCPNCQERC-UHFFFAOYSA-N -2 0 351.428 2.659 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000324690509 511838779 /nfs/dbraw/zinc/83/87/79/511838779.db2.gz UTSFACPEHNGYFQ-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000326578322 511859901 /nfs/dbraw/zinc/85/99/01/511859901.db2.gz AMJBQKNUWAJUMT-UHFFFAOYSA-N -3 0 369.782 2.846 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC000326748123 511862782 /nfs/dbraw/zinc/86/27/82/511862782.db2.gz HXXOXVKAMNGKFX-UHFFFAOYSA-N -2 0 363.391 2.809 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)OC ZINC000326769839 511863525 /nfs/dbraw/zinc/86/35/25/511863525.db2.gz QSFQOJHJPQVSEW-UHFFFAOYSA-N -2 0 363.391 2.535 20 0 FFADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000274723081 511922031 /nfs/dbraw/zinc/92/20/31/511922031.db2.gz FTOVERWKUPWRPO-UHFFFAOYSA-N -2 0 351.428 2.659 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)nn1C(C)C ZINC000421182205 513139820 /nfs/dbraw/zinc/13/98/20/513139820.db2.gz KIMIPRDHARODDV-UHFFFAOYSA-N -2 0 355.391 2.719 20 0 FFADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000439627254 513154382 /nfs/dbraw/zinc/15/43/82/513154382.db2.gz UOIPIWUINJCQAE-UHFFFAOYSA-N -2 0 369.345 2.813 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c(C(=O)[O-])c1 ZINC000436016568 513737214 /nfs/dbraw/zinc/73/72/14/513737214.db2.gz LGBNYVKAPJRNGR-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cs1 ZINC000436477839 513866662 /nfs/dbraw/zinc/86/66/62/513866662.db2.gz MUVQUCDKRWSDCT-UHFFFAOYSA-N -2 0 367.433 2.766 20 0 FFADRL O=C(NC1(c2nnn[n-]2)CCCC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436530566 513887101 /nfs/dbraw/zinc/88/71/01/513887101.db2.gz RANVILTUPOYHNL-UHFFFAOYSA-N -2 0 357.801 2.911 20 0 FFADRL CC(=O)c1ccc([O-])c(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000436939265 514041013 /nfs/dbraw/zinc/04/10/13/514041013.db2.gz OOBWTDQJRBUXGL-UHFFFAOYSA-N -2 0 355.325 2.878 20 0 FFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000436998810 514069732 /nfs/dbraw/zinc/06/97/32/514069732.db2.gz ZEFMLKIMDFVAHB-UHFFFAOYSA-N -2 0 350.377 2.501 20 0 FFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000432613573 514241460 /nfs/dbraw/zinc/24/14/60/514241460.db2.gz BTONLIZAQYNLIO-UHFFFAOYSA-N -2 0 360.391 2.604 20 0 FFADRL CC(C)C[C@@H](CNC(=O)N=c1nc(-c2ccsc2)[n-]s1)C(=O)[O-] ZINC000424380855 514466078 /nfs/dbraw/zinc/46/60/78/514466078.db2.gz LKCGSCAVPORPCL-JTQLQIEISA-N -2 0 354.457 2.557 20 0 FFADRL CSc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433517115 514507462 /nfs/dbraw/zinc/50/74/62/514507462.db2.gz QECYONADMGWRRL-UHFFFAOYSA-N -2 0 353.421 2.637 20 0 FFADRL CCCOc1cc(F)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000470885689 514656811 /nfs/dbraw/zinc/65/68/11/514656811.db2.gz FZSBZLRGVWJGTD-UHFFFAOYSA-N -2 0 372.356 2.925 20 0 FFADRL COc1ccc2c(c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)CCC2 ZINC000480195526 514874756 /nfs/dbraw/zinc/87/47/56/514874756.db2.gz JCGJJRFAKJHLKX-UHFFFAOYSA-N -2 0 351.380 2.584 20 0 FFADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000462104129 514885385 /nfs/dbraw/zinc/88/53/85/514885385.db2.gz QMEKOWBFTJSTGR-UHFFFAOYSA-N -2 0 357.334 2.716 20 0 FFADRL Cn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)c1 ZINC000485050207 514890422 /nfs/dbraw/zinc/89/04/22/514890422.db2.gz OEJAQQOVSMPQOX-UHFFFAOYSA-N -2 0 373.390 2.711 20 0 FFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485288574 514984621 /nfs/dbraw/zinc/98/46/21/514984621.db2.gz MUSQPDQPQQHFLN-UHFFFAOYSA-N -2 0 369.370 2.732 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000509555292 515231414 /nfs/dbraw/zinc/23/14/14/515231414.db2.gz LRDFSXHVAVXCIM-UHFFFAOYSA-N -2 0 364.404 2.804 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)sc1C(=O)[O-] ZINC000499262567 515259363 /nfs/dbraw/zinc/25/93/63/515259363.db2.gz HUCQYZSLJBPBIG-UHFFFAOYSA-N -2 0 351.409 2.740 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1N1CCCC1=O ZINC000477422045 515451460 /nfs/dbraw/zinc/45/14/60/515451460.db2.gz VIYVWSLOUZKCNP-UHFFFAOYSA-N -2 0 374.418 2.621 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)ccc1C(=O)[O-] ZINC000506602076 515928264 /nfs/dbraw/zinc/92/82/64/515928264.db2.gz VBKVULBDZAKTGK-UHFFFAOYSA-N -2 0 374.374 2.674 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000478712012 515936310 /nfs/dbraw/zinc/93/63/10/515936310.db2.gz QKSLSPZPTQJQNR-UHFFFAOYSA-N -2 0 351.355 2.568 20 0 FFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474444494 516048248 /nfs/dbraw/zinc/04/82/48/516048248.db2.gz HQFFWDRIAIJJTF-UHFFFAOYSA-N -2 0 358.778 2.809 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cn1 ZINC000507618421 516264171 /nfs/dbraw/zinc/26/41/71/516264171.db2.gz CINHMPKTNDVIQR-NSHDSACASA-N -2 0 352.437 2.756 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1 ZINC000547546436 516402398 /nfs/dbraw/zinc/40/23/98/516402398.db2.gz REDZHXWVCRSFKC-UHFFFAOYSA-N -2 0 364.423 2.569 20 0 FFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(N)c1 ZINC000547610969 516433769 /nfs/dbraw/zinc/43/37/69/516433769.db2.gz MVXSETUEISXLDM-UHFFFAOYSA-N -2 0 350.396 2.557 20 0 FFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000531527498 516509506 /nfs/dbraw/zinc/50/95/06/516509506.db2.gz JDIHLOOQYHTXRZ-UHFFFAOYSA-N -2 0 372.402 2.671 20 0 FFADRL Cn1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])n1 ZINC000540338554 516518120 /nfs/dbraw/zinc/51/81/20/516518120.db2.gz YMRJCFSOUDOPRI-UHFFFAOYSA-N -2 0 363.420 2.648 20 0 FFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000513463020 516634992 /nfs/dbraw/zinc/63/49/92/516634992.db2.gz IIQUPYRNICIELN-UHFFFAOYSA-N -2 0 367.398 2.961 20 0 FFADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1O ZINC000540906812 516766857 /nfs/dbraw/zinc/76/68/57/516766857.db2.gz LTQLNCJSMFIZPD-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL CO[C@H](C)c1nc(=NC(=O)c2c([O-])cnc3ccc(Cl)cc32)s[n-]1 ZINC000559052598 517059117 /nfs/dbraw/zinc/05/91/17/517059117.db2.gz UQHRVHCHXRUQLY-SSDOTTSWSA-N -2 0 364.814 2.827 20 0 FFADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1)C(=O)[O-] ZINC000548596618 517074263 /nfs/dbraw/zinc/07/42/63/517074263.db2.gz PLMIRBARCPZOCY-LLVKDONJSA-N -2 0 359.407 2.627 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546782908 517855526 /nfs/dbraw/zinc/85/55/26/517855526.db2.gz DFUBVHNHNHVABU-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL CCc1cccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)c1 ZINC000534402230 517881352 /nfs/dbraw/zinc/88/13/52/517881352.db2.gz NIMDYZQCACNWCF-UHFFFAOYSA-N -2 0 353.371 2.896 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)nn1[C@H](C)C1CC1 ZINC000543159667 517937202 /nfs/dbraw/zinc/93/72/02/517937202.db2.gz DFXYUOOFGYSSOJ-GFCCVEGCSA-N -2 0 363.439 2.970 20 0 FFADRL CC(C)(C)c1nc(=NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])s[n-]1 ZINC000550297039 517979967 /nfs/dbraw/zinc/97/99/67/517979967.db2.gz QQVMEFLTYNPNRW-UHFFFAOYSA-N -2 0 361.402 2.540 20 0 FFADRL Cc1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C(=O)[O-] ZINC000534881425 518068634 /nfs/dbraw/zinc/06/86/34/518068634.db2.gz GOOKENQHPLWYHZ-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1sccc1Cl)C(F)(F)F ZINC000576919556 518826624 /nfs/dbraw/zinc/82/66/24/518826624.db2.gz BFKGZODNPGUKSN-LURJTMIESA-N -2 0 365.782 2.723 20 0 FFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000577152634 518938148 /nfs/dbraw/zinc/93/81/48/518938148.db2.gz KFPHWMZRQKIRMK-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL COc1ccc(S(=O)(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000583599585 519331029 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Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000738351890 599739516 /nfs/dbraw/zinc/73/95/16/599739516.db2.gz MDQMHYRYZPDALH-UHFFFAOYSA-N -2 0 365.455 2.683 20 0 FFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000047202294 599851404 /nfs/dbraw/zinc/85/14/04/599851404.db2.gz VIBWONZATCHTNX-UHFFFAOYSA-N -2 0 374.733 2.886 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738993054 599851519 /nfs/dbraw/zinc/85/15/19/599851519.db2.gz LQUFGAUNMXOJKV-UHFFFAOYSA-N -2 0 374.371 2.785 20 0 FFADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000326953921 599852748 /nfs/dbraw/zinc/85/27/48/599852748.db2.gz KHKNYIYRNSPMMZ-UHFFFAOYSA-N -2 0 364.379 2.721 20 0 FFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c(F)c1 ZINC000737888559 599853072 /nfs/dbraw/zinc/85/30/72/599853072.db2.gz CJCRNDHFTKBNSB-UHFFFAOYSA-N -2 0 371.361 2.791 20 0 FFADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000675628526 599908076 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FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)s1 ZINC000740177105 600058682 /nfs/dbraw/zinc/05/86/82/600058682.db2.gz CELCVZHULZMGHF-UHFFFAOYSA-N -2 0 367.383 2.572 20 0 FFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000740144253 600098281 /nfs/dbraw/zinc/09/82/81/600098281.db2.gz LMAXDWNVADWVOP-UHFFFAOYSA-N -2 0 352.368 2.934 20 0 FFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000737713763 600100965 /nfs/dbraw/zinc/10/09/65/600100965.db2.gz KQNTXNUISHXZOO-UHFFFAOYSA-N -2 0 374.371 2.565 20 0 FFADRL Cc1nc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000738865537 600513426 /nfs/dbraw/zinc/51/34/26/600513426.db2.gz RUMVXWYRRIJDJP-UHFFFAOYSA-N -2 0 368.223 2.652 20 0 FFADRL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000325696431 600675338 /nfs/dbraw/zinc/67/53/38/600675338.db2.gz PRNPSJZOLMYBRW-UHFFFAOYSA-N -2 0 370.408 2.816 20 0 FFADRL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)o1 ZINC000738934884 600679116 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O=C([O-])c1ccnc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000079705209 600981696 /nfs/dbraw/zinc/98/16/96/600981696.db2.gz FCTSRAIMFZXHKY-UHFFFAOYSA-N -2 0 353.208 2.949 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)c1C ZINC000832866167 601202004 /nfs/dbraw/zinc/20/20/04/601202004.db2.gz HSUOTXYIXFYQIX-UHFFFAOYSA-N -2 0 363.370 2.818 20 0 FFADRL O=C([O-])c1ccsc1N1CC[C@@H]([N-]c2nc(-c3ccccc3)no2)C1=O ZINC000833340803 601202533 /nfs/dbraw/zinc/20/25/33/601202533.db2.gz KCVOVUDMZWFQPO-GFCCVEGCSA-N -2 0 370.390 2.714 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000831946694 601204125 /nfs/dbraw/zinc/20/41/25/601204125.db2.gz YCVDJCUTHWFYCE-UHFFFAOYSA-N -2 0 367.326 2.673 20 0 FFADRL Cc1oc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)cc1C(=O)[O-] ZINC000833027906 601230562 /nfs/dbraw/zinc/23/05/62/601230562.db2.gz ZVOZNXPGQCXXFW-UHFFFAOYSA-N -2 0 358.803 2.806 20 0 FFADRL Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000832929763 601238704 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COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000747618786 601485781 /nfs/dbraw/zinc/48/57/81/601485781.db2.gz ZDMCSSIHFFJSFP-UHFFFAOYSA-N -2 0 374.777 2.690 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1 ZINC000754825642 601605231 /nfs/dbraw/zinc/60/52/31/601605231.db2.gz BXHRKPXPPIHOJZ-UHFFFAOYSA-N -2 0 361.354 2.715 20 0 FFADRL Cc1cccc2sc([N-]S(=O)(=O)c3csnc3C(=O)[O-])nc21 ZINC000832974483 601767811 /nfs/dbraw/zinc/76/78/11/601767811.db2.gz NOSAYIGWESBCBU-UHFFFAOYSA-N -2 0 355.422 2.560 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])ccc1Cl ZINC000740090109 601828829 /nfs/dbraw/zinc/82/88/29/601828829.db2.gz SEWCFYQMHJNVNE-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL CC(C)c1nc2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])ccc2o1 ZINC000827152473 601834558 /nfs/dbraw/zinc/83/45/58/601834558.db2.gz HVIAJYYQVWPKIB-UHFFFAOYSA-N -2 0 367.408 2.907 20 0 FFADRL CCCOc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)c1 ZINC000829537757 601836792 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CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)cc1C ZINC001595024318 979127301 /nfs/dbraw/zinc/12/73/01/979127301.db2.gz UCEBCUKSJLSEGD-SNVBAGLBSA-N -2 0 369.418 2.730 20 0 FFADRL CC[C@H](CS(=O)(=O)[N-]c1nc(-c2ccc(C(=O)[O-])cc2)cs1)OC ZINC001595202249 979952909 /nfs/dbraw/zinc/95/29/09/979952909.db2.gz FDFZOMRGVMNAJV-GFCCVEGCSA-N -2 0 370.452 2.675 20 0 FFADRL O=C([O-])[C@H](CNC(=O)CCCc1ccc(O)c(F)c1)Cc1ccccc1 ZINC000909180661 981643048 /nfs/dbraw/zinc/64/30/48/981643048.db2.gz LIHXRBZWDIGYJB-INIZCTEOSA-N -2 0 359.397 2.914 20 0 FFADRL O=C([O-])c1ccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c(F)c1 ZINC000911235092 982306200 /nfs/dbraw/zinc/30/62/00/982306200.db2.gz XCBZFWZAVQWGQL-UHFFFAOYSA-N -2 0 371.364 2.965 20 0 FFADRL CCCCc1nnc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC001595799540 982614740 /nfs/dbraw/zinc/61/47/40/982614740.db2.gz XIEMQJDKMFGQPB-UHFFFAOYSA-N -2 0 367.427 2.575 20 0 FFADRL CCCCn1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(C)n1 ZINC001595810532 982645538 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2.528 20 0 FFADRL CCOc1cccc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n1 ZINC001597161608 986967972 /nfs/dbraw/zinc/96/79/72/986967972.db2.gz HSXRLKAPGPRVMM-UHFFFAOYSA-N -2 0 373.390 2.528 20 0 FFADRL CCc1ncc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C3CC3)s2)s1 ZINC001597702664 988932446 /nfs/dbraw/zinc/93/24/46/988932446.db2.gz CNYZBEGSFNCCMV-UHFFFAOYSA-N -2 0 359.454 2.538 20 0 FFADRL CC(C)(CCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(=O)[O-] ZINC001590679460 990391450 /nfs/dbraw/zinc/39/14/50/990391450.db2.gz KLQDUPFOCNPEFC-UHFFFAOYSA-N -2 0 360.313 2.609 20 0 FFADRL CC(C)C[C@H](CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)CC(=O)[O-] ZINC001591448236 992550608 /nfs/dbraw/zinc/55/06/08/992550608.db2.gz FJJDQBHSGSVUIL-VIFPVBQESA-N -2 0 358.341 2.922 20 0 FFADRL C[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593077706 993636788 /nfs/dbraw/zinc/63/67/88/993636788.db2.gz FYBVBCTUWBNTFJ-BJKJVOPESA-N -2 0 374.437 2.515 20 0 FFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2sc(C)cc2C(=O)[O-])c1 ZINC001599606310 993890191 /nfs/dbraw/zinc/89/01/91/993890191.db2.gz DATRBJDEGGGSSH-UHFFFAOYSA-N -2 0 357.409 2.573 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C3CC3)s2)c(C)c1 ZINC001599617938 994042245 /nfs/dbraw/zinc/04/22/45/994042245.db2.gz ODSYHRHBGCVFDV-UHFFFAOYSA-N -2 0 368.436 2.837 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)cc1F ZINC001599618096 994044787 /nfs/dbraw/zinc/04/47/87/994044787.db2.gz ZQJXEGURSBFIGE-UHFFFAOYSA-N -2 0 372.399 2.667 20 0 FFADRL COc1ccc2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])ccc2c1 ZINC001599634490 994267182 /nfs/dbraw/zinc/26/71/82/994267182.db2.gz OKJUFHFFGSFCPI-UHFFFAOYSA-N -2 0 364.404 2.804 20 0 FFADRL C[C@@]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)(c1ccccc1)C(F)(F)F ZINC001593334602 994914915 /nfs/dbraw/zinc/91/49/15/994914915.db2.gz XHGJRBOEBGDANV-CYBMUJFWSA-N -2 0 363.313 2.734 20 0 FFADRL CC1(C)CCCc2sc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)nc21 ZINC001593911157 996801110 /nfs/dbraw/zinc/80/11/10/996801110.db2.gz ZAZRLGPJZCZCID-UHFFFAOYSA-N -2 0 356.425 2.849 20 0 FFADRL CC1(C)CCc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2O1 ZINC001593915938 996814264 /nfs/dbraw/zinc/81/42/64/996814264.db2.gz JUQCIVXCPODDKT-UHFFFAOYSA-N -2 0 351.380 2.882 20 0 FFADRL COCc1cc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc(C(=O)[O-])c1 ZINC001599288594 997024559 /nfs/dbraw/zinc/02/45/59/997024559.db2.gz JKHFQQCCEVSBPO-UHFFFAOYSA-N -2 0 352.346 2.625 20 0 FFADRL CO[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])[C@@](C)(C(=O)[O-])C1 ZINC001599130355 997929677 /nfs/dbraw/zinc/92/96/77/997929677.db2.gz MSSORNAVDAFVHY-MLCYQJTMSA-N -2 0 363.797 2.903 20 0 FFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])oc1C ZINC001598955296 998229387 /nfs/dbraw/zinc/22/93/87/998229387.db2.gz RQSCJCDCKFDHTL-UHFFFAOYSA-N -2 0 373.408 2.552 20 0 FFADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc(C(=O)[O-])cc3C)n2)cc1 ZINC001599473306 998485449 /nfs/dbraw/zinc/48/54/49/998485449.db2.gz BJYFLCRNABOWJF-UHFFFAOYSA-N -2 0 367.361 2.845 20 0 FFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1C ZINC001598982750 998672729 /nfs/dbraw/zinc/67/27/29/998672729.db2.gz ANWSYYOPARGADX-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC001594232431 998885113 /nfs/dbraw/zinc/88/51/13/998885113.db2.gz JMUPXZAOCVYLAD-MNOVXSKESA-N -2 0 357.428 2.635 20 0 FFADRL C[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C[C@H]1C(=O)[O-] ZINC001594402731 999509235 /nfs/dbraw/zinc/50/92/35/999509235.db2.gz HWYSXPUFRPQJJE-LDYMZIIASA-N -2 0 374.315 2.978 20 0 FFADRL Cc1cc(Cl)c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cc1O ZINC001148926398 1001240865 /nfs/dbraw/zinc/24/08/65/1001240865.db2.gz MOEAWFGPONIHGO-UHFFFAOYSA-N -2 0 357.771 2.559 20 0 FFADRL COC(=O)c1c(C)csc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184664176 1002680093 /nfs/dbraw/zinc/68/00/93/1002680093.db2.gz NKXGPUKTSLBTOH-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)nc21 ZINC001185567012 1002988909 /nfs/dbraw/zinc/98/89/09/1002988909.db2.gz ZJQYTXZRWVTURV-UHFFFAOYSA-N -2 0 372.435 2.586 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(OC)c1F ZINC001185914043 1003129391 /nfs/dbraw/zinc/12/93/91/1003129391.db2.gz LRVVMGGYXCPOBG-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL Cn1cnc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1 ZINC001196060885 1003646420 /nfs/dbraw/zinc/64/64/20/1003646420.db2.gz RETWIRRCLKBVFS-UHFFFAOYSA-N -2 0 357.391 2.586 20 0 FFADRL Cn1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cn1 ZINC001196061270 1003646743 /nfs/dbraw/zinc/64/67/43/1003646743.db2.gz VJCSXQAIKAWADN-UHFFFAOYSA-N -2 0 357.391 2.586 20 0 FFADRL COC(=O)CCCCS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC001196954633 1004023744 /nfs/dbraw/zinc/02/37/44/1004023744.db2.gz HUDUGEPRUILHBJ-UHFFFAOYSA-N -2 0 356.227 2.784 20 0 FFADRL COc1c(F)cccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192099926 1004053093 /nfs/dbraw/zinc/05/30/93/1004053093.db2.gz FZFSTCIJHGCILA-UHFFFAOYSA-N -2 0 353.371 2.652 20 0 FFADRL CCCc1cc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)on1 ZINC001192608095 1004214563 /nfs/dbraw/zinc/21/45/63/1004214563.db2.gz CHZTVJWDFBNGIL-UHFFFAOYSA-N -2 0 354.384 2.525 20 0 FFADRL CCOc1ccc(S(=O)(=O)Nc2ncc(C)cc2Cl)cc1C(=O)[O-] ZINC001192608538 1004214623 /nfs/dbraw/zinc/21/46/23/1004214623.db2.gz GAKAZPJCLIHBKG-UHFFFAOYSA-N -2 0 370.814 2.941 20 0 FFADRL CCOC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782230 1004725827 /nfs/dbraw/zinc/72/58/27/1004725827.db2.gz DWQPMTWUPSBCJS-UHFFFAOYSA-N -2 0 367.354 2.501 20 0 FFADRL CSc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccn1 ZINC001195205986 1004916530 /nfs/dbraw/zinc/91/65/30/1004916530.db2.gz VLLJKTVUEWAGGP-UHFFFAOYSA-N -2 0 360.363 2.581 20 0 FFADRL CC(C)c1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195205639 1004916565 /nfs/dbraw/zinc/91/65/65/1004916565.db2.gz NMAYFWPVFJDVHT-UHFFFAOYSA-N -2 0 356.350 2.982 20 0 FFADRL CCOCCS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC001187291910 1006004481 /nfs/dbraw/zinc/00/44/81/1006004481.db2.gz IBBBOLMXUVQTRQ-UHFFFAOYSA-N -2 0 358.641 2.586 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1CO ZINC001187589723 1006145118 /nfs/dbraw/zinc/14/51/18/1006145118.db2.gz OBCHQWQBXUCEIV-UHFFFAOYSA-N -2 0 355.799 2.640 20 0 FFADRL O=C(NCCOP(=O)([O-])[O-])c1ccc2ccc(-c3ccccc3)nc2c1 ZINC001152623285 1032203861 /nfs/dbraw/zinc/20/38/61/1032203861.db2.gz FCMPCZCZZQIIFW-UHFFFAOYSA-N -2 0 372.317 2.741 20 0 FFADRL CC(C)(NC(=O)c1ccccc1OP(=O)([O-])[O-])c1cc(Cl)ccn1 ZINC001189905739 1007336899 /nfs/dbraw/zinc/33/68/99/1007336899.db2.gz XOTXOPVPQLVSEJ-UHFFFAOYSA-N -2 0 370.729 2.872 20 0 FFADRL O=c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)[n-]n1-c1ccccc1 ZINC001190358563 1007600755 /nfs/dbraw/zinc/60/07/55/1007600755.db2.gz OQDFKWCFXMOERB-UHFFFAOYSA-N -2 0 369.324 2.796 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)c1 ZINC000680809666 1018186314 /nfs/dbraw/zinc/18/63/14/1018186314.db2.gz KDNWOBKQSQUOBL-UHFFFAOYSA-N -2 0 353.371 2.956 20 0 FFADRL COc1ncc(-c2cccc(-n3[n-]c(C)c(CC(=O)[O-])c3=O)c2)cc1C ZINC000901074336 1018717855 /nfs/dbraw/zinc/71/78/55/1018717855.db2.gz GKZRKTRAIAVWPI-INIZCTEOSA-N -2 0 353.378 2.879 20 0 FFADRL Cc1cc(C(=O)Nc2ccc3c(c2)CCCC3=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001143029723 1031164911 /nfs/dbraw/zinc/16/49/11/1031164911.db2.gz LANILUSOKNTGBI-UHFFFAOYSA-N -2 0 364.361 2.516 20 0 FFADRL CCN(CC)C(=O)c1cc(F)cc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001204719520 1031417073 /nfs/dbraw/zinc/41/70/73/1031417073.db2.gz RSOBANRVVCXALO-UHFFFAOYSA-N -2 0 351.314 2.778 20 0 FFADRL CC[C@H](O)C(=O)Oc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccccc1 ZINC001229772056 1036883384 /nfs/dbraw/zinc/88/33/84/1036883384.db2.gz UXQLMUATFPFGFD-LBPRGKRZSA-N -2 0 356.330 2.548 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(C(=O)[O-])cc3)nc2)no1 ZINC001236057460 1037907724 /nfs/dbraw/zinc/90/77/24/1037907724.db2.gz YEPKPJHKUUENJV-UHFFFAOYSA-N -2 0 359.363 2.544 20 0 FFADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC001257411041 1038795359 /nfs/dbraw/zinc/79/53/59/1038795359.db2.gz HICVDVQXTNVWSJ-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL O=S(=O)(CCC(F)(F)F)[N-]c1cc(Br)cc(F)c1[O-] ZINC001259872198 1040263030 /nfs/dbraw/zinc/26/30/30/1040263030.db2.gz IQHUMXIYIAVYCG-UHFFFAOYSA-N -2 0 366.130 2.988 20 0 FFADRL Cc1cc(Br)nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260183859 1040442954 /nfs/dbraw/zinc/44/29/54/1040442954.db2.gz FBIFFTWERVZAPA-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL Cc1cc2c(ncnc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC001260208609 1040464416 /nfs/dbraw/zinc/46/44/16/1040464416.db2.gz RUOGVJFXOORVAV-UHFFFAOYSA-N -2 0 367.383 2.638 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(C2CCC2)n1 ZINC001260209960 1040464804 /nfs/dbraw/zinc/46/48/04/1040464804.db2.gz LEJINQKSNFVCRM-UHFFFAOYSA-N -2 0 353.375 2.555 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c1 ZINC001260209873 1040464999 /nfs/dbraw/zinc/46/49/99/1040464999.db2.gz INNRVWAOWNUXTI-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL Cc1cc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cccc2nn1 ZINC001260215365 1040467364 /nfs/dbraw/zinc/46/73/64/1040467364.db2.gz YXDPIRWSUGZWOA-UHFFFAOYSA-N -2 0 361.354 2.576 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(cccc3O)s2)cc1 ZINC001260220669 1040470994 /nfs/dbraw/zinc/47/09/94/1040470994.db2.gz GJFVNKPRVJJWAA-UHFFFAOYSA-N -2 0 350.377 2.501 20 0 FFADRL CCOC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227983 1040475607 /nfs/dbraw/zinc/47/56/07/1040475607.db2.gz QKOBHBRQLUPYGG-UHFFFAOYSA-N -2 0 367.354 2.501 20 0 FFADRL O=S(=O)([N-]c1ccc(Cl)nn1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868426 1040857204 /nfs/dbraw/zinc/85/72/04/1040857204.db2.gz YJFHUTFALBFVLW-UHFFFAOYSA-N -2 0 354.602 2.943 20 0 FFADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3cccc4ccncc43)no2)c1 ZINC001215454291 1041789443 /nfs/dbraw/zinc/78/94/43/1041789443.db2.gz RVOKLWJETJLRSK-UHFFFAOYSA-N -2 0 369.358 2.904 20 0 FFADRL O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC001574679836 1078058016 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359.762 2.992 20 0 FFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1OC ZINC000467297900 514968928 /nfs/dbraw/zinc/96/89/28/514968928.db2.gz ABQRPDLTVHGRAQ-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL CCNc1cc(C)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000480784878 515082246 /nfs/dbraw/zinc/08/22/46/515082246.db2.gz DZUFDKMHSNYZMU-UHFFFAOYSA-N -2 0 353.382 2.737 20 0 FFADRL CCc1oncc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000509388508 515153204 /nfs/dbraw/zinc/15/32/04/515153204.db2.gz BHQXDWWSNDISRV-UHFFFAOYSA-N -2 0 352.412 2.590 20 0 FFADRL COc1c(Cl)cccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000468113246 515228969 /nfs/dbraw/zinc/22/89/69/515228969.db2.gz KMQOUYFSIGJVQH-UHFFFAOYSA-N -2 0 360.757 2.659 20 0 FFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1F ZINC000504704219 515359542 /nfs/dbraw/zinc/35/95/42/515359542.db2.gz UOCDICLWTQBKQP-UHFFFAOYSA-N -2 0 371.361 2.928 20 0 FFADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cn1 ZINC000478693348 515926796 /nfs/dbraw/zinc/92/67/96/515926796.db2.gz CSLPNVUIOLTZFY-VIFPVBQESA-N -2 0 367.402 2.937 20 0 FFADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000507008108 516052880 /nfs/dbraw/zinc/05/28/80/516052880.db2.gz RWFXMHBNICXXED-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000507024094 516058402 /nfs/dbraw/zinc/05/84/02/516058402.db2.gz ZTDDPUGZOYRCAQ-UHFFFAOYSA-N -2 0 372.402 2.807 20 0 FFADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000507027471 516059026 /nfs/dbraw/zinc/05/90/26/516059026.db2.gz UQTHCMFLTYADTD-UHFFFAOYSA-N -2 0 354.815 2.943 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1SC ZINC000479184097 516094523 /nfs/dbraw/zinc/09/45/23/516094523.db2.gz NEERRIFXZIXCFN-UHFFFAOYSA-N -2 0 353.421 2.916 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1F ZINC000479192572 516098909 /nfs/dbraw/zinc/09/89/09/516098909.db2.gz VAZKWJXEKUPXTM-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)s1 ZINC000460759297 516241407 /nfs/dbraw/zinc/24/14/07/516241407.db2.gz VBOBJXYLRYXJNF-UHFFFAOYSA-N -2 0 358.466 2.926 20 0 FFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000470465096 516261906 /nfs/dbraw/zinc/26/19/06/516261906.db2.gz LDBNALMQUYIITQ-UHFFFAOYSA-N -2 0 365.407 2.527 20 0 FFADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000512746152 516345066 /nfs/dbraw/zinc/34/50/66/516345066.db2.gz CFBHVZYPBWYGMB-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512762024 516349282 /nfs/dbraw/zinc/34/92/82/516349282.db2.gz MIADEGCHJYRQSP-UHFFFAOYSA-N -2 0 351.355 2.836 20 0 FFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1Cl ZINC000547544334 516399028 /nfs/dbraw/zinc/39/90/28/516399028.db2.gz QVMUGUGGIAZBQI-UHFFFAOYSA-N -3 0 369.782 2.846 20 0 FFADRL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000547544410 516399350 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FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1C ZINC000533166614 517322158 /nfs/dbraw/zinc/32/21/58/517322158.db2.gz SJWNELFBBZCMFW-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)cc2F)c(C(=O)[O-])c1 ZINC000520627737 517461913 /nfs/dbraw/zinc/46/19/13/517461913.db2.gz VBAFSKXMFUYYSQ-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000527301709 517624474 /nfs/dbraw/zinc/62/44/74/517624474.db2.gz PVCPERPRCMPBCR-JTQLQIEISA-N -2 0 361.847 2.518 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000516631682 517781846 /nfs/dbraw/zinc/78/18/46/517781846.db2.gz PMLOWGUODMKXQH-UHFFFAOYSA-N -2 0 373.381 2.728 20 0 FFADRL COc1ccnc2c([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cccc12 ZINC000534317245 517848154 /nfs/dbraw/zinc/84/81/54/517848154.db2.gz WVLPYHRTRXSNNU-UHFFFAOYSA-N -2 0 364.404 2.804 20 0 FFADRL C[C@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000563765473 518114940 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FFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cn1C ZINC000570921871 518844110 /nfs/dbraw/zinc/84/41/10/518844110.db2.gz KAZVTTMNGVPTFT-UHFFFAOYSA-N -2 0 365.455 2.752 20 0 FFADRL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000577955617 519340774 /nfs/dbraw/zinc/34/07/74/519340774.db2.gz BEQHSVOKCCVZPC-SSDOTTSWSA-N -2 0 366.144 2.519 20 0 FFADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1OC ZINC000629328952 522141006 /nfs/dbraw/zinc/14/10/06/522141006.db2.gz CQMVRIWWCRASGO-UHFFFAOYSA-N -2 0 371.436 2.711 20 0 FFADRL Cc1ccsc1-c1nc(=NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)s[n-]1 ZINC000630566803 522937769 /nfs/dbraw/zinc/93/77/69/522937769.db2.gz BKVYBTHOPMHWIH-UWVGGRQHSA-N -2 0 366.468 2.571 20 0 FFADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1 ZINC000818853171 597315051 /nfs/dbraw/zinc/31/50/51/597315051.db2.gz MKDPAZRWPFONDF-UHFFFAOYSA-N -2 0 356.403 2.971 20 0 FFADRL CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000392207916 599734893 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CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1C ZINC000448127823 513681624 /nfs/dbraw/zinc/68/16/24/513681624.db2.gz KBVXXKHJFINFHS-UHFFFAOYSA-N -2 0 369.418 2.938 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000425958571 513806042 /nfs/dbraw/zinc/80/60/42/513806042.db2.gz OCKIGUCRIUGMPW-UHFFFAOYSA-N -2 0 364.423 2.753 20 0 FFADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000436602784 513913626 /nfs/dbraw/zinc/91/36/26/513913626.db2.gz FYHYAFPGJWRGJF-UHFFFAOYSA-N -2 0 363.391 2.792 20 0 FFADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000436606120 513913826 /nfs/dbraw/zinc/91/38/26/513913826.db2.gz MBELXQOFEWLNDT-UHFFFAOYSA-N -2 0 355.393 2.545 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1O ZINC000436872533 514016916 /nfs/dbraw/zinc/01/69/16/514016916.db2.gz UDXODVVAWQCVST-UHFFFAOYSA-N -2 0 350.327 2.512 20 0 FFADRL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000436941697 514044478 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O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000484487822 514666326 /nfs/dbraw/zinc/66/63/26/514666326.db2.gz GNHZLSDUXHMECJ-UHFFFAOYSA-N -2 0 352.368 2.934 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1C(=O)[O-] ZINC000484819555 514805542 /nfs/dbraw/zinc/80/55/42/514805542.db2.gz XSGCQCLMDJOJJH-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000484991581 514865898 /nfs/dbraw/zinc/86/58/98/514865898.db2.gz YQUAOVOVSITZRT-UHFFFAOYSA-N -2 0 371.390 2.501 20 0 FFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])s1 ZINC000476418848 515042434 /nfs/dbraw/zinc/04/24/34/515042434.db2.gz OPSHESUTHDGXMV-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c(F)c1 ZINC000471967282 515070334 /nfs/dbraw/zinc/07/03/34/515070334.db2.gz RABAKPKCMXCMAV-UHFFFAOYSA-N -2 0 363.725 2.823 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1CC(C)C ZINC000499264452 515261149 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CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000507003204 516050266 /nfs/dbraw/zinc/05/02/66/516050266.db2.gz UOZSCVNZZRBYAX-UHFFFAOYSA-N -2 0 358.828 2.956 20 0 FFADRL CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1F ZINC000507633860 516269121 /nfs/dbraw/zinc/26/91/21/516269121.db2.gz FWTPHOXVRYVPKE-UHFFFAOYSA-N -2 0 357.384 2.897 20 0 FFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000540497480 516587282 /nfs/dbraw/zinc/58/72/82/516587282.db2.gz RBOOIGSCABRRSQ-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000554761123 516624296 /nfs/dbraw/zinc/62/42/96/516624296.db2.gz NFRLNAITAJASEA-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)cc2F)c(C(=O)[O-])c1 ZINC000547931636 516639877 /nfs/dbraw/zinc/63/98/77/516639877.db2.gz DNUWZBVNVSEPPU-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)c1 ZINC000532038017 516768059 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FFADRL COCCOc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000545831465 517385428 /nfs/dbraw/zinc/38/54/28/517385428.db2.gz AUJHYCVMRHRGDW-UHFFFAOYSA-N -2 0 365.407 2.519 20 0 FFADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)cc1 ZINC000542236239 517453907 /nfs/dbraw/zinc/45/39/07/517453907.db2.gz DTQKWNYRMSVQNZ-VIFPVBQESA-N -2 0 369.830 2.696 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000533690790 517572578 /nfs/dbraw/zinc/57/25/78/517572578.db2.gz SAKQVRJRHGWVRJ-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL CCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C1CC1 ZINC000560251431 517658646 /nfs/dbraw/zinc/65/86/46/517658646.db2.gz WXYPISHEELMWFB-UHFFFAOYSA-N -2 0 363.439 2.978 20 0 FFADRL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC000534169614 517769290 /nfs/dbraw/zinc/76/92/90/517769290.db2.gz VNCAUANCDCHVDY-QMMMGPOBSA-N -2 0 370.652 2.729 20 0 FFADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000534973717 518102892 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COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000604692399 520640308 /nfs/dbraw/zinc/64/03/08/520640308.db2.gz VZAOMZLGURYVIE-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])cn1 ZINC000614775296 521132943 /nfs/dbraw/zinc/13/29/43/521132943.db2.gz SSSYRSNGQQHWAX-UHFFFAOYSA-N -2 0 363.420 2.648 20 0 FFADRL Cc1cc(=O)[nH]c(C(C)(C)NC(=O)c2ccc(C(F)(F)F)c(O)c2)n1 ZINC000636109685 522740478 /nfs/dbraw/zinc/74/04/78/522740478.db2.gz FLBWVUGPSHYUOY-UHFFFAOYSA-N -2 0 355.316 2.880 20 0 FFADRL O=C(N=c1[n-]nc(-c2ccccc2)s1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000521056408 562168762 /nfs/dbraw/zinc/16/87/62/562168762.db2.gz FOJFIUFIWFHYES-UHFFFAOYSA-N -2 0 365.374 2.801 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)o1 ZINC000740187710 599736942 /nfs/dbraw/zinc/73/69/42/599736942.db2.gz PXNCEWCRUKVWAW-UHFFFAOYSA-N -2 0 365.363 2.820 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C(F)(F)F)c1 ZINC000324833950 599737362 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O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)c(Cl)c1 ZINC000808126792 741190554 /nfs/dbraw/zinc/19/05/54/741190554.db2.gz HSOQYFSNGMGCPX-UHFFFAOYSA-N -2 0 367.766 2.509 20 0 FFADRL O=S(=O)(N=S1(=O)CCCC1)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC000821191994 742599082 /nfs/dbraw/zinc/59/90/82/742599082.db2.gz QVRSXGHRGKJMGY-UHFFFAOYSA-N -2 0 359.256 2.618 20 0 FFADRL N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000390311520 845841926 /nfs/dbraw/zinc/84/19/26/845841926.db2.gz NVTQNOACCVPQBU-UHFFFAOYSA-N -2 0 354.746 2.850 20 0 FFADRL COCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1 ZINC000392260661 845852327 /nfs/dbraw/zinc/85/23/27/845852327.db2.gz QRICTARAFVPDIY-UHFFFAOYSA-N -2 0 353.371 2.780 20 0 FFADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)c1 ZINC000322961015 970951373 /nfs/dbraw/zinc/95/13/73/970951373.db2.gz OABIMWUASVKQTM-UHFFFAOYSA-N -2 0 356.381 2.772 20 0 FFADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000323861723 971048623 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2.598 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cn1 ZINC000128254494 958650959 /nfs/dbraw/zinc/65/09/59/958650959.db2.gz IWMDYDHWBDKVDA-UHFFFAOYSA-N -2 0 353.208 2.949 20 0 FFADRL Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000392288588 972463332 /nfs/dbraw/zinc/46/33/32/972463332.db2.gz OQAMSKGPMLCUDJ-UHFFFAOYSA-N -2 0 367.452 2.551 20 0 FFADRL COc1ccc(Br)nc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238112 1013656032 /nfs/dbraw/zinc/65/60/32/1013656032.db2.gz JPXVCMRREHKIPK-UHFFFAOYSA-N -2 0 367.155 2.993 20 0 FFADRL Nc1ccc(N(c2cc(C(=O)[O-])cc(C(=O)[O-])c2)[C@H]2CC[C@H](O)CC2)nc1 ZINC001176236639 1013656118 /nfs/dbraw/zinc/65/61/18/1013656118.db2.gz BBFJKFJAXBUELI-KOMQPUFPSA-N -2 0 371.393 2.502 20 0 FFADRL O=C([O-])c1cc(Nc2cc(-c3ccccn3)c[nH]c2=O)cc(C(=O)[O-])c1 ZINC001176240174 1013657017 /nfs/dbraw/zinc/65/70/17/1013657017.db2.gz WQSYFMTWCHWVMH-UHFFFAOYSA-N -2 0 351.318 2.989 20 0 FFADRL CN1CCN(c2c(F)cccc2Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)CC1 ZINC001176245372 1013659351 /nfs/dbraw/zinc/65/93/51/1013659351.db2.gz YJYALPXERHJLPR-UHFFFAOYSA-N -2 0 373.384 2.718 20 0 FFADRL C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])[C@H]1C(=O)[O-] ZINC000874967095 1013938099 /nfs/dbraw/zinc/93/80/99/1013938099.db2.gz SEAKGWXVHRIWAQ-PIGZYNQJSA-N -2 0 357.362 2.790 20 0 FFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000321085918 970741898 /nfs/dbraw/zinc/74/18/98/970741898.db2.gz STYNWLBJWNIWLG-UHFFFAOYSA-N -2 0 350.377 2.902 20 0 FFADRL O=C([O-])CC1(NC(=O)c2nn(-c3ccccc3F)cc2[O-])CCCCC1 ZINC000663123026 975925889 /nfs/dbraw/zinc/92/58/89/975925889.db2.gz IAIYQSNKPTYZDE-UHFFFAOYSA-N -2 0 361.373 2.624 20 0 FFADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001591861973 976159887 /nfs/dbraw/zinc/15/98/87/976159887.db2.gz SYYGGZMRGGOBCR-LBPRGKRZSA-N -2 0 371.315 2.508 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])n2)c1 ZINC001591982754 976600276 /nfs/dbraw/zinc/60/02/76/976600276.db2.gz FQLVZUUICLMFKJ-LSDHHAIUSA-N -2 0 357.410 2.684 20 0 FFADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001592169709 977067551 /nfs/dbraw/zinc/06/75/51/977067551.db2.gz QLMXTJKNYSFQFX-UHFFFAOYSA-N -2 0 351.428 2.627 20 0 FFADRL C[C@](CC(=O)[O-])(NC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccncc1 ZINC001592309823 977682100 /nfs/dbraw/zinc/68/21/00/977682100.db2.gz ZUXMJAXVILYOIS-QGZVFWFLSA-N -2 0 357.391 2.631 20 0 FFADRL C[C@H](CCC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001592469931 978215072 /nfs/dbraw/zinc/21/50/72/978215072.db2.gz BRTCSZIRFJQCEE-QCGWZAEESA-N -2 0 359.422 2.594 20 0 FFADRL C[C@](Cn1cnc2ccccc21)(NC(=O)c1ccc(Cl)c([O-])c1)C(=O)[O-] ZINC001592931521 979983210 /nfs/dbraw/zinc/98/32/10/979983210.db2.gz NILRZKVKFZHUJO-GOSISDBHSA-N -2 0 373.796 2.669 20 0 FFADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666566871 980977841 /nfs/dbraw/zinc/97/78/41/980977841.db2.gz DQGUMLLTXLVVQS-KRWDZBQOSA-N -2 0 370.405 2.660 20 0 FFADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n[nH]1 ZINC001595579682 981509943 /nfs/dbraw/zinc/50/99/43/981509943.db2.gz SLXAPAONQQFFEJ-NSHDSACASA-N -2 0 351.428 2.741 20 0 FFADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000910186678 981846935 /nfs/dbraw/zinc/84/69/35/981846935.db2.gz UXAZIJFHLRZNAV-SJORKVTESA-N -2 0 353.374 2.744 20 0 FFADRL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC001595728719 982361678 /nfs/dbraw/zinc/36/16/78/982361678.db2.gz YVMSMWKUPOXVEV-UHFFFAOYSA-N -2 0 373.431 2.909 20 0 FFADRL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001594958428 982697672 /nfs/dbraw/zinc/69/76/72/982697672.db2.gz BKHMCGYVBXFVDQ-LBPRGKRZSA-N -2 0 373.446 2.864 20 0 FFADRL O=P([O-])([O-])OCCNc1nccc2cc(-c3ccc(F)cc3)[nH]c21 ZINC001168589759 985658928 /nfs/dbraw/zinc/65/89/28/985658928.db2.gz ORSRGFRQXDPYCN-UHFFFAOYSA-N -2 0 351.274 2.890 20 0 FFADRL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1CC ZINC001597076833 986611066 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CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001591133596 991833255 /nfs/dbraw/zinc/83/32/55/991833255.db2.gz ISEPABWCRQDXHS-VIFPVBQESA-N -2 0 363.382 2.540 20 0 FFADRL CC1(C)CCCc2sc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)nc21 ZINC001593910912 996799358 /nfs/dbraw/zinc/79/93/58/996799358.db2.gz QRNVNSAUQOAABM-UHFFFAOYSA-N -2 0 367.452 2.651 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1c[nH]c2ccccc12 ZINC001599387845 996977685 /nfs/dbraw/zinc/97/76/85/996977685.db2.gz PGKJZBKNYINOFJ-UHFFFAOYSA-N -2 0 352.393 2.737 20 0 FFADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001594209315 998809768 /nfs/dbraw/zinc/80/97/68/998809768.db2.gz CJQWTWNZIZLPDC-HTQZYQBOSA-N -2 0 358.753 2.752 20 0 FFADRL C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001594357829 999353061 /nfs/dbraw/zinc/35/30/61/999353061.db2.gz PQKCBAFIFNKWKO-NXEZZACHSA-N -2 0 359.831 2.669 20 0 FFADRL C[C@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C[C@H]1C(=O)[O-] ZINC001594402728 999509157 /nfs/dbraw/zinc/50/91/57/999509157.db2.gz HWYSXPUFRPQJJE-GZMMTYOYSA-N -2 0 374.315 2.978 20 0 FFADRL O=C(Nc1cncc(-c2ccccc2)c1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148916647 1001234067 /nfs/dbraw/zinc/23/40/67/1001234067.db2.gz AONRLOUSCMPTRP-UHFFFAOYSA-N -2 0 370.386 2.953 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc1C(=O)[O-] ZINC001184653800 1002676941 /nfs/dbraw/zinc/67/69/41/1002676941.db2.gz RDCZNPZZOOHCOU-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1OC ZINC001184659551 1002678796 /nfs/dbraw/zinc/67/87/96/1002678796.db2.gz JFCANAZAHSMUOD-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccn3)no2)cc1C(=O)[O-] ZINC001184663627 1002680043 /nfs/dbraw/zinc/68/00/43/1002680043.db2.gz JVMDBAFGYMENGU-UHFFFAOYSA-N -2 0 359.363 2.544 20 0 FFADRL CCOc1cccc(F)c1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185315251 1002911125 /nfs/dbraw/zinc/91/11/25/1002911125.db2.gz 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ZINC001198729905 1004713930 /nfs/dbraw/zinc/71/39/30/1004713930.db2.gz BENRGMFWWNQUNO-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL CC(C)(C)c1nnc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cn21 ZINC001198746254 1004720986 /nfs/dbraw/zinc/72/09/86/1004720986.db2.gz AKVINMQKWAGPCB-UHFFFAOYSA-N -2 0 374.422 2.526 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c2ncccc12 ZINC001198783336 1004727375 /nfs/dbraw/zinc/72/73/75/1004727375.db2.gz ZDJCRSZVRXEGNV-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL C[C@@H](O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001195233958 1004912941 /nfs/dbraw/zinc/91/29/41/1004912941.db2.gz CDIXKOAWQWSCLV-MRVPVSSYSA-N -2 0 357.334 2.517 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCCO3)c(F)cc1F ZINC001195244814 1004922272 /nfs/dbraw/zinc/92/22/72/1004922272.db2.gz LVFHROTXDKLPTH-UHFFFAOYSA-N -2 0 369.345 2.789 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3ncoc3c2)c1 ZINC001187542344 1006133576 /nfs/dbraw/zinc/13/35/76/1006133576.db2.gz 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354.409 2.514 20 0 FFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC000736549518 599797281 /nfs/dbraw/zinc/79/72/81/599797281.db2.gz WFRWVJCDTRYESF-SNVBAGLBSA-N -2 0 359.469 2.858 20 0 FFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1F ZINC000736547518 599953507 /nfs/dbraw/zinc/95/35/07/599953507.db2.gz CZPFWJNVPBEPGK-VIFPVBQESA-N -2 0 371.411 2.584 20 0 FFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c1C(=O)[O-] ZINC000321113897 600050614 /nfs/dbraw/zinc/05/06/14/600050614.db2.gz KHOXCGOVPJYFSY-UHFFFAOYSA-N -2 0 356.425 2.731 20 0 FFADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])ccc2o1 ZINC000738874976 600094732 /nfs/dbraw/zinc/09/47/32/600094732.db2.gz OFLCWNNMLLQPJD-UHFFFAOYSA-N -2 0 350.327 2.774 20 0 FFADRL COC(=O)Nc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])ccc1F ZINC000737641254 600100264 /nfs/dbraw/zinc/10/02/64/600100264.db2.gz ATLFBJSIZJZNLU-UHFFFAOYSA-N -2 0 374.371 2.565 20 0 FFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cccs3)nc2n1 ZINC000738345147 600102526 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Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cnc1Cl ZINC000738252061 600299358 /nfs/dbraw/zinc/29/93/58/600299358.db2.gz RWLHQQSNPSNYBS-UHFFFAOYSA-N -2 0 355.803 2.958 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nc3ccsc3s2)c1 ZINC000740145026 600473259 /nfs/dbraw/zinc/47/32/59/600473259.db2.gz TXMSCUQJODJBEF-UHFFFAOYSA-N -2 0 358.397 2.996 20 0 FFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(NC(=O)[O-])c1 ZINC000738900498 600613097 /nfs/dbraw/zinc/61/30/97/600613097.db2.gz AOJXUTMEGARKEW-UHFFFAOYSA-N -2 0 352.416 2.972 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cs1 ZINC000740075299 600638471 /nfs/dbraw/zinc/63/84/71/600638471.db2.gz IOEHOQLZNVLNFH-UHFFFAOYSA-N -3 0 361.784 2.599 20 0 FFADRL Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)c1C(=O)[O-] ZINC000738746428 600679338 /nfs/dbraw/zinc/67/93/38/600679338.db2.gz ZSTHKHNMGPGQEB-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL CCCn1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)ccc21 ZINC000829585013 600814065 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CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(C(=O)[O-])[nH]2)C1 ZINC000830913381 601330696 /nfs/dbraw/zinc/33/06/96/601330696.db2.gz OHIWBLCUOIZCPZ-FLIBITNWSA-N -2 0 363.373 2.945 20 0 FFADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825823054 601332812 /nfs/dbraw/zinc/33/28/12/601332812.db2.gz LTWYADHEBGSIGU-FMIVXFBMSA-N -2 0 374.418 2.568 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)ccc1F ZINC000738679402 601360057 /nfs/dbraw/zinc/36/00/57/601360057.db2.gz RQQWSKZBYKHJII-UHFFFAOYSA-N -2 0 367.383 2.776 20 0 FFADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000326608159 601501859 /nfs/dbraw/zinc/50/18/59/601501859.db2.gz MKJGPBXFUIUODY-VMPITWQZSA-N -2 0 367.452 2.635 20 0 FFADRL O=C([O-])c1n[nH]c2ccc([N-]S(=O)(=O)c3cc4ccccc4o3)cc21 ZINC000833344351 601558405 /nfs/dbraw/zinc/55/84/05/601558405.db2.gz MZSHXTZICQKINI-UHFFFAOYSA-N -2 0 357.347 2.808 20 0 FFADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3csnc3C(=O)[O-])sc2C1 ZINC000829134036 601767320 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O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)ccc1Cl ZINC000833306482 601844022 /nfs/dbraw/zinc/84/40/22/601844022.db2.gz XKYGXUMNQYCLOY-UHFFFAOYSA-N -2 0 351.771 2.715 20 0 FFADRL CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000830542422 601979083 /nfs/dbraw/zinc/97/90/83/601979083.db2.gz ACMXQTRCSZLODG-QGZVFWFLSA-N -2 0 369.352 2.615 20 0 FFADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2ccc(C)c(C)c2)c(C)c1C(=O)[O-] ZINC000832933805 602135067 /nfs/dbraw/zinc/13/50/67/602135067.db2.gz HHNXJBCBGNUURS-UHFFFAOYSA-N -2 0 363.435 2.744 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)ccc1Cl ZINC000833306142 602212681 /nfs/dbraw/zinc/21/26/81/602212681.db2.gz GQUASWKUDPQLIY-UHFFFAOYSA-N -2 0 369.758 2.628 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])ccc1Cl ZINC000833303997 602302092 /nfs/dbraw/zinc/30/20/92/602302092.db2.gz GCIFTONMRYSSKO-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL O=C([O-])N1CCCc2cc(NC(=O)C[C@@]3(C(=O)[O-])CCSC3)ccc21 ZINC000740350196 602647649 /nfs/dbraw/zinc/64/76/49/602647649.db2.gz RVGUGPVLYJFAPI-KRWDZBQOSA-N -2 0 364.423 2.654 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCNC(=O)[O-])c2)c(F)c1 ZINC000740148318 603288267 /nfs/dbraw/zinc/28/82/67/603288267.db2.gz USHBVPVGIMSIHY-UHFFFAOYSA-N -2 0 368.386 2.581 20 0 FFADRL C[C@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000825448326 603402366 /nfs/dbraw/zinc/40/23/66/603402366.db2.gz CVPUNPPPRXQYGK-JTQLQIEISA-N -2 0 364.379 2.514 20 0 FFADRL Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc1NC(=O)[O-] ZINC000830225087 603452893 /nfs/dbraw/zinc/45/28/93/603452893.db2.gz DXPMUZRHQKQOKP-GFCCVEGCSA-N -2 0 362.407 2.906 20 0 FFADRL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000832359013 603834810 /nfs/dbraw/zinc/83/48/10/603834810.db2.gz LYQLNBSQVLSJSZ-ZIAGYGMSSA-N -2 0 374.397 2.575 20 0 FFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1 ZINC000828738298 603838484 /nfs/dbraw/zinc/83/84/84/603838484.db2.gz HGFZNPDZDOBQCQ-UHFFFAOYSA-N -2 0 368.342 2.503 20 0 FFADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc3c(cc2NC(=O)[O-])OCO3)c1 ZINC000830062281 603888296 /nfs/dbraw/zinc/88/82/96/603888296.db2.gz RLIUQRAYVJAESJ-UHFFFAOYSA-N -2 0 368.342 2.754 20 0 FFADRL O=C([O-])N1CC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])C1 ZINC000831753560 604117034 /nfs/dbraw/zinc/11/70/34/604117034.db2.gz UFOSDSCAPWDLDN-LURJTMIESA-N -2 0 363.595 2.747 20 0 FFADRL O=C([O-])Nc1ccc(CCNC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832841682 604158164 /nfs/dbraw/zinc/15/81/64/604158164.db2.gz LIGAZQCTLQFGHE-INIZCTEOSA-N -2 0 356.378 2.694 20 0 FFADRL C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000825377772 604283307 /nfs/dbraw/zinc/28/33/07/604283307.db2.gz KEKOCBDMZLQLMS-DYVFJYSZSA-N -2 0 370.405 2.890 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C ZINC000327503820 604499105 /nfs/dbraw/zinc/49/91/05/604499105.db2.gz QXVGKIALOOEYEO-UHFFFAOYSA-N -2 0 364.423 2.996 20 0 FFADRL Cc1cc([C@H](C)OC(=O)c2ccccc2[N-]S(C)(=O)=O)oc1C(=O)[O-] ZINC000832875337 604555260 /nfs/dbraw/zinc/55/52/60/604555260.db2.gz NOSPXTWZCXMOLA-JTQLQIEISA-N -2 0 367.379 2.576 20 0 FFADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC000767733921 604629049 /nfs/dbraw/zinc/62/90/49/604629049.db2.gz AJNKKGVJSBEZRU-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL O=C([O-])Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000833288729 604768456 /nfs/dbraw/zinc/76/84/56/604768456.db2.gz GAAOUDPUCYNSSA-UHFFFAOYSA-N -3 0 370.770 2.929 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c(OC)c1C(=O)[O-] ZINC000833734561 604862141 /nfs/dbraw/zinc/86/21/41/604862141.db2.gz MXVRSZYTHQIZFC-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2-c2ccccc2)cc1C(=O)[O-] ZINC000833751216 605013387 /nfs/dbraw/zinc/01/33/87/605013387.db2.gz RHMBVLMYDLRLCU-UHFFFAOYSA-N -2 0 371.418 2.895 20 0 FFADRL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n[nH]1 ZINC000833430020 605167060 /nfs/dbraw/zinc/16/70/60/605167060.db2.gz DNFRXXHNHYNJMR-UHFFFAOYSA-N -2 0 355.391 2.636 20 0 FFADRL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC000833548422 605187176 /nfs/dbraw/zinc/18/71/76/605187176.db2.gz JZOUAOCJHRNGIU-NSHDSACASA-N -2 0 361.379 2.584 20 0 FFADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])s1 ZINC000833395881 605203738 /nfs/dbraw/zinc/20/37/38/605203738.db2.gz SLMPBZWBTCGVGK-SSDOTTSWSA-N -2 0 374.465 2.506 20 0 FFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000833784659 605330991 /nfs/dbraw/zinc/33/09/91/605330991.db2.gz HLOHYKWGUIRACC-UHFFFAOYSA-N -2 0 373.280 2.943 20 0 FFADRL O=C([O-])N1CC[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1 ZINC000834052694 605717699 /nfs/dbraw/zinc/71/76/99/605717699.db2.gz VRPHKZKBDVYWKU-LURJTMIESA-N -2 0 363.595 2.747 20 0 FFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2C)s1 ZINC000833881227 605991950 /nfs/dbraw/zinc/99/19/50/605991950.db2.gz WWUBLFOTZBOTJB-UHFFFAOYSA-N -2 0 370.408 2.734 20 0 FFADRL O=C([O-])COc1ccc(NC(=O)C[C@H]2CCCN2C(=O)[O-])c2ccccc12 ZINC000834064758 606054681 /nfs/dbraw/zinc/05/46/81/606054681.db2.gz FXNXLLCBQZJJHI-GFCCVEGCSA-N -2 0 372.377 2.774 20 0 FFADRL O=C([O-])c1sc2ccsc2c1CNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000834006801 606060285 /nfs/dbraw/zinc/06/02/85/606060285.db2.gz NXSUKRVXMJOJSW-UHFFFAOYSA-N -2 0 368.436 2.667 20 0 FFADRL O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000834282926 606060311 /nfs/dbraw/zinc/06/03/11/606060311.db2.gz IIJBBBLGWYPEEI-LBPRGKRZSA-N -2 0 362.407 2.748 20 0 FFADRL O=C([O-])Cc1cccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000834064939 606066324 /nfs/dbraw/zinc/06/63/24/606066324.db2.gz HCFIUEODAWLJHU-INIZCTEOSA-N -2 0 356.378 2.521 20 0 FFADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000156366230 728849296 /nfs/dbraw/zinc/84/92/96/728849296.db2.gz IVQATOLHOTVWKO-UHFFFAOYSA-N -2 0 358.778 2.990 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(O)c1 ZINC000746055433 735460207 /nfs/dbraw/zinc/46/02/07/735460207.db2.gz KVIJQXQUYKIJAT-UHFFFAOYSA-N -2 0 363.178 2.593 20 0 FFADRL CCCNC(=O)[N-][N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000049275478 728059507 /nfs/dbraw/zinc/05/95/07/728059507.db2.gz JEMWSASBROUBDY-UHFFFAOYSA-N -2 0 360.650 2.549 20 0 FFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c[nH]1 ZINC000134617770 728731505 /nfs/dbraw/zinc/73/15/05/728731505.db2.gz RGLRBTWFDYMPGN-UHFFFAOYSA-N -2 0 351.428 2.741 20 0 FFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1F ZINC000195066176 729528194 /nfs/dbraw/zinc/52/81/94/729528194.db2.gz JYUGEIAQNVJTKO-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000322891897 729754126 /nfs/dbraw/zinc/75/41/26/729754126.db2.gz YNARWKSWZVYEFW-UHFFFAOYSA-N -2 0 354.815 2.861 20 0 FFADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000325814122 729759421 /nfs/dbraw/zinc/75/94/21/729759421.db2.gz LUMUGEXPTWJNSF-UHFFFAOYSA-N -2 0 353.346 2.953 20 0 FFADRL Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)OCO2 ZINC000781116104 738599846 /nfs/dbraw/zinc/59/98/46/738599846.db2.gz XZFPGNNEIXRTGT-UHFFFAOYSA-N -2 0 371.317 2.501 20 0 FFADRL CCc1nc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cn1CC1CC1 ZINC000663256221 732403294 /nfs/dbraw/zinc/40/32/94/732403294.db2.gz HNPIQRWYRLHSGT-UHFFFAOYSA-N -2 0 363.439 2.663 20 0 FFADRL Cc1cn(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000663263972 732406132 /nfs/dbraw/zinc/40/61/32/732406132.db2.gz FXKJUAALJNTPLU-UHFFFAOYSA-N -2 0 357.457 2.587 20 0 FFADRL Cc1oc(S(=O)(=O)NCC(F)(F)c2ccccc2C)cc1C(=O)[O-] ZINC000663430941 732438747 /nfs/dbraw/zinc/43/87/47/732438747.db2.gz YLEQAVRPWHIXMG-UHFFFAOYSA-N -2 0 359.350 2.665 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ncsc2C2CC2)c1 ZINC000882772058 733291766 /nfs/dbraw/zinc/29/17/66/733291766.db2.gz DYPLVPFJHXWBHE-UHFFFAOYSA-N -2 0 356.400 2.967 20 0 FFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000673885389 733655346 /nfs/dbraw/zinc/65/53/46/733655346.db2.gz WVKQZQSEEGXZIA-UHFFFAOYSA-N -2 0 369.830 2.754 20 0 FFADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC000677550577 733953320 /nfs/dbraw/zinc/95/33/20/733953320.db2.gz JIXVLDTUEKWEON-UHFFFAOYSA-N -2 0 373.381 2.980 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1F ZINC000749143880 735697801 /nfs/dbraw/zinc/69/78/01/735697801.db2.gz SDNAVZACUQGUFS-UHFFFAOYSA-N -3 0 367.354 2.640 20 0 FFADRL CC(=O)c1cc(F)c([O-])c([N-]S(=O)(=O)C[C@H]2CCCC(C)(C)O2)c1 ZINC000901953052 735876803 /nfs/dbraw/zinc/87/68/03/735876803.db2.gz RVTSOUGTNNZSPV-GFCCVEGCSA-N -2 0 359.419 2.823 20 0 FFADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000767732670 737361299 /nfs/dbraw/zinc/36/12/99/737361299.db2.gz GVXLJESPEFREKZ-UHFFFAOYSA-N -2 0 361.782 2.756 20 0 FFADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000775297154 738081342 /nfs/dbraw/zinc/08/13/42/738081342.db2.gz NSECQSFAMZIXLR-UHFFFAOYSA-N -2 0 371.798 2.613 20 0 FFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777637984 738308305 /nfs/dbraw/zinc/30/83/05/738308305.db2.gz PPXWWOBDNIPZOA-UHFFFAOYSA-N -2 0 369.830 2.754 20 0 FFADRL O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC(C2N=NC(=O)O2)CC1 ZINC000935830111 740017713 /nfs/dbraw/zinc/01/77/13/740017713.db2.gz UABOXSQZRLDKPQ-UHFFFAOYSA-N -2 0 358.181 2.807 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccc3nc(Cl)sc3c2)cc1C(=O)[O-] ZINC000821095976 742587395 /nfs/dbraw/zinc/58/73/95/742587395.db2.gz CMUVULMUNJLKTN-UHFFFAOYSA-N -2 0 371.827 2.787 20 0 FFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(Cl)c(C)c1 ZINC000323106007 970967430 /nfs/dbraw/zinc/96/74/30/970967430.db2.gz DGCVMHGWKUZNET-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1F ZINC000323714552 971031165 /nfs/dbraw/zinc/03/11/65/971031165.db2.gz JGTLRUWDDSIMGS-UHFFFAOYSA-N -2 0 352.368 2.934 20 0 FFADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000324076405 971081029 /nfs/dbraw/zinc/08/10/29/971081029.db2.gz DXOGISHBINTGDA-UHFFFAOYSA-N -2 0 360.344 2.603 20 0 FFADRL COc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000324917977 971169255 /nfs/dbraw/zinc/16/92/55/971169255.db2.gz YXDRRIBACVPGKR-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL O=C([O-])c1cnc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cn1 ZINC001602508969 971217617 /nfs/dbraw/zinc/21/76/17/971217617.db2.gz HMGGUVCUUFUSRQ-UHFFFAOYSA-N -2 0 372.562 2.549 20 0 FFADRL O=C([O-])[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccccc1 ZINC001594786848 953677020 /nfs/dbraw/zinc/67/70/20/953677020.db2.gz HZTBGMMFZVQXLV-HNNXBMFYSA-N -2 0 371.780 2.787 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)Oc2ccccc2C(=O)[O-])c1 ZINC000013026717 956906219 /nfs/dbraw/zinc/90/62/19/956906219.db2.gz RSXQRSIXXWRTSO-UHFFFAOYSA-N -2 0 356.739 2.504 20 0 FFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N(C)C)cc1 ZINC000392121807 972411986 /nfs/dbraw/zinc/41/19/86/972411986.db2.gz UVOOPLJSEAJORN-UHFFFAOYSA-N -2 0 352.387 2.699 20 0 FFADRL O=C(Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)c1cccc(F)c1[O-] ZINC001167451005 963545104 /nfs/dbraw/zinc/54/51/04/963545104.db2.gz BOHILOISVHHXIN-UHFFFAOYSA-N -2 0 354.341 2.681 20 0 FFADRL COC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C(C)=O)c1 ZINC001176244169 1013658541 /nfs/dbraw/zinc/65/85/41/1013658541.db2.gz HZKQXNRAUJEHNN-UHFFFAOYSA-N -2 0 357.318 2.816 20 0 FFADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000318724067 970465485 /nfs/dbraw/zinc/46/54/85/970465485.db2.gz LGMBZCHANGJHCL-UHFFFAOYSA-N -2 0 358.466 2.891 20 0 FFADRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000319888405 970585721 /nfs/dbraw/zinc/58/57/21/970585721.db2.gz ARPAILGIOGHESD-UHFFFAOYSA-N -2 0 354.746 2.850 20 0 FFADRL O=C(N[N-]C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])Nc1ccccc1 ZINC000038331125 1014265131 /nfs/dbraw/zinc/26/51/31/1014265131.db2.gz RPGZFLBUYGMAHX-UHFFFAOYSA-N -2 0 371.784 2.698 20 0 FFADRL C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC001592604778 978546815 /nfs/dbraw/zinc/54/68/15/978546815.db2.gz CWCNRUJPZCABNX-AWEZNQCLSA-N -2 0 371.389 2.513 20 0 FFADRL CCC(CC)(CC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001595053864 979290382 /nfs/dbraw/zinc/29/03/82/979290382.db2.gz GHIVZHXRJFICKJ-UHFFFAOYSA-N -2 0 367.352 2.619 20 0 FFADRL CCC1(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CCCC1 ZINC001595366692 980816744 /nfs/dbraw/zinc/81/67/44/980816744.db2.gz QBUQZNGWWIYAAS-UHFFFAOYSA-N -2 0 359.831 2.814 20 0 FFADRL CCC[C@](C)(NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC001595553307 981428592 /nfs/dbraw/zinc/42/85/92/981428592.db2.gz FNSAVEOXVOEBHF-INIZCTEOSA-N -2 0 351.790 2.605 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)n2)c1 ZINC000909989106 981777428 /nfs/dbraw/zinc/77/74/28/981777428.db2.gz UOOXHTYGPOVVOC-CJNGLKHVSA-N -2 0 371.437 2.884 20 0 FFADRL CCCC[C@@H](OC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C(=O)[O-] ZINC001595651619 982023785 /nfs/dbraw/zinc/02/37/85/982023785.db2.gz INBBBALAZLWYAM-CYBMUJFWSA-N -2 0 354.309 2.656 20 0 FFADRL CC[C@H](C)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(F)(F)F ZINC001594920227 982460642 /nfs/dbraw/zinc/46/06/42/982460642.db2.gz HNWIFWIZJIZTGD-JOYOIKCWSA-N -2 0 353.362 2.781 20 0 FFADRL CCCCc1nnc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC001595799133 982612378 /nfs/dbraw/zinc/61/23/78/982612378.db2.gz MENHQFPASPWRFV-UHFFFAOYSA-N -2 0 355.441 2.521 20 0 FFADRL CCCc1cc(C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)sc1C ZINC001596052869 983352895 /nfs/dbraw/zinc/35/28/95/983352895.db2.gz INKUNBUXHZNPIR-XYEKJYRLSA-N -2 0 365.451 2.647 20 0 FFADRL CCSCc1cccnc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001597267134 987300644 /nfs/dbraw/zinc/30/06/44/987300644.db2.gz FDOSUOORTGJUPW-UHFFFAOYSA-N -2 0 370.427 2.973 20 0 FFADRL CCc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])sc1-c1ccccc1 ZINC001597432024 987774227 /nfs/dbraw/zinc/77/42/27/987774227.db2.gz VRRUDHQBLCWAPY-JTQLQIEISA-N -2 0 367.448 2.510 20 0 FFADRL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001597470371 987921446 /nfs/dbraw/zinc/92/14/46/987921446.db2.gz QMGXSDRHFXHUTF-UHFFFAOYSA-N -2 0 371.798 2.621 20 0 FFADRL CCc1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1C(=O)[O-] ZINC001597561923 988301636 /nfs/dbraw/zinc/30/16/36/988301636.db2.gz GGVKLLIHWLGGCD-UHFFFAOYSA-N -2 0 355.393 2.508 20 0 FFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)n1 ZINC001597604863 988484359 /nfs/dbraw/zinc/48/43/59/988484359.db2.gz VHFZZTWJCBTZKR-QGZVFWFLSA-N -2 0 371.437 2.904 20 0 FFADRL CCc1nccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001597703660 988942513 /nfs/dbraw/zinc/94/25/13/988942513.db2.gz TXJJIKORAMXAJO-UHFFFAOYSA-N -2 0 352.387 2.899 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC001597791737 989325787 /nfs/dbraw/zinc/32/57/87/989325787.db2.gz RPLVBGWUYAMDOL-UHFFFAOYSA-N -2 0 356.425 2.676 20 0 FFADRL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001599878262 989448850 /nfs/dbraw/zinc/44/88/50/989448850.db2.gz TZUOYBOSUMUMKK-GHMZBOCLSA-N -2 0 363.801 2.557 20 0 FFADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)n[n-]1 ZINC001590363092 989820597 /nfs/dbraw/zinc/82/05/97/989820597.db2.gz QPSWXOYZGAWEHH-UHFFFAOYSA-N -2 0 359.382 2.635 20 0 FFADRL CC(C)(C)c1coc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC001590527195 990141822 /nfs/dbraw/zinc/14/18/22/990141822.db2.gz WVNXXFMHFLCNMO-TWGQIWQCSA-N -2 0 350.396 2.871 20 0 FFADRL CC(C)(C)c1nc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)sc1C(=O)[O-] ZINC001590542491 990172994 /nfs/dbraw/zinc/17/29/94/990172994.db2.gz XITHQSMTKMGKOK-VIFPVBQESA-N -2 0 354.428 2.968 20 0 FFADRL CC(C)(C)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001590605013 990269199 /nfs/dbraw/zinc/26/91/99/990269199.db2.gz JBJJUVPJLGKGLX-UHFFFAOYSA-N -2 0 357.819 2.791 20 0 FFADRL CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1(C)C ZINC001590914344 990897580 /nfs/dbraw/zinc/89/75/80/990897580.db2.gz FIUUMEBIJFAOML-HUUCEWRRSA-N -2 0 365.451 2.569 20 0 FFADRL COc1cccc(S(=O)(=O)[N-]c2cccc([C@H](C)C(=O)[O-])c2)c1OC ZINC001599684510 990966015 /nfs/dbraw/zinc/96/60/15/990966015.db2.gz RKBMVWGDJAOZQT-NSHDSACASA-N -2 0 365.407 2.693 20 0 FFADRL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001590956957 991034605 /nfs/dbraw/zinc/03/46/05/991034605.db2.gz PVOOWDDMBARDKB-CYBMUJFWSA-N -2 0 362.407 2.733 20 0 FFADRL CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591058551 991473876 /nfs/dbraw/zinc/47/38/76/991473876.db2.gz PSGFBARPYPBSSK-VFZGTOFNSA-N -2 0 370.199 2.833 20 0 FFADRL COc1ncc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)cc1Cl ZINC001599735480 991768215 /nfs/dbraw/zinc/76/82/15/991768215.db2.gz WOZFZBZLHRISTM-SECBINFHSA-N -2 0 370.814 2.733 20 0 FFADRL CC(C)CCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001591269764 992185757 /nfs/dbraw/zinc/18/57/57/992185757.db2.gz HEEQTDOBZNSYNA-UHFFFAOYSA-N -2 0 373.818 2.811 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2csc(C)c2)c(OC)c1C(=O)[O-] ZINC001599618019 994044021 /nfs/dbraw/zinc/04/40/21/994044021.db2.gz SRYALFSLIVVGJM-UHFFFAOYSA-N -2 0 357.409 2.573 20 0 FFADRL C[C@@H](NCc1ncc(Br)cc1[O-])c1ncc(C(=O)[O-])s1 ZINC001593317272 994817302 /nfs/dbraw/zinc/81/73/02/994817302.db2.gz NTYUVFSSDYFBCD-ZCFIWIBFSA-N -2 0 358.217 2.555 20 0 FFADRL COc1cc(C)c(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001599390698 997030357 /nfs/dbraw/zinc/03/03/57/997030357.db2.gz JPIHOSGQHVKXBN-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL COCc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc(C(=O)[O-])c1 ZINC001599289712 997042825 /nfs/dbraw/zinc/04/28/25/997042825.db2.gz TVADMWHBEDBIAO-UHFFFAOYSA-N -2 0 371.361 2.919 20 0 FFADRL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(Cl)cc1C ZINC001599292773 997090380 /nfs/dbraw/zinc/09/03/80/997090380.db2.gz GZDZEMZOTIJGBV-UHFFFAOYSA-N -2 0 370.814 2.689 20 0 FFADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001598916019 997466775 /nfs/dbraw/zinc/46/67/75/997466775.db2.gz LZAJIZPZAYGYEF-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COCCOc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1C ZINC001599260089 998370397 /nfs/dbraw/zinc/37/03/97/998370397.db2.gz PLEWOVWBGDTTPT-UHFFFAOYSA-N -2 0 371.436 2.581 20 0 FFADRL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001594158191 998583798 /nfs/dbraw/zinc/58/37/98/998583798.db2.gz DOQWWSDMIHWTHT-SVRRBLITSA-N -2 0 362.607 2.743 20 0 FFADRL C[C@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001594404116 999513617 /nfs/dbraw/zinc/51/36/17/999513617.db2.gz YPXVVZKUJPMXBF-OIBJUYFYSA-N -2 0 358.753 2.752 20 0 FFADRL Cc1ccnc2cc(NC(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])ccc12 ZINC001148926584 1001240843 /nfs/dbraw/zinc/24/08/43/1001240843.db2.gz PWWMTDFMGUVJTH-UHFFFAOYSA-N -2 0 358.375 2.748 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C)cc1C(=O)[O-] ZINC001184664285 1002679677 /nfs/dbraw/zinc/67/96/77/1002679677.db2.gz QASLQFMGEOPFNT-UHFFFAOYSA-N -2 0 351.428 2.525 20 0 FFADRL COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(C)=O)cc1C(=O)[O-] ZINC001185315004 1002910551 /nfs/dbraw/zinc/91/05/51/1002910551.db2.gz UHHAOKXYZQMXAK-UHFFFAOYSA-N -2 0 363.391 2.705 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccccn2)nc1 ZINC001185879382 1003115900 /nfs/dbraw/zinc/11/59/00/1003115900.db2.gz OLZLFOITZOQQFM-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)no2)cc1 ZINC001192110139 1004055182 /nfs/dbraw/zinc/05/51/82/1004055182.db2.gz QMQDHQSLGDBKDF-UHFFFAOYSA-N -2 0 373.390 2.555 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncs2)c(Cl)cc1Cl ZINC001192402285 1004162645 /nfs/dbraw/zinc/16/26/45/1004162645.db2.gz MBTQSYLEBGMSBY-UHFFFAOYSA-N -2 0 353.208 2.949 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)cc1C(=O)[O-] ZINC001192614017 1004216711 /nfs/dbraw/zinc/21/67/11/1004216711.db2.gz AYHOSMXXDHTGAG-UHFFFAOYSA-N -2 0 362.407 2.857 20 0 FFADRL O=C(NCCOP(=O)([O-])[O-])c1ccccc1-c1cccc(Cl)c1 ZINC001193815080 1004588431 /nfs/dbraw/zinc/58/84/31/1004588431.db2.gz VQQSMTOJUHPWCW-UHFFFAOYSA-N -2 0 355.714 2.846 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)sn1 ZINC001193971275 1004621549 /nfs/dbraw/zinc/62/15/49/1004621549.db2.gz ADKDVVATRWMGKJ-UHFFFAOYSA-N -2 0 350.780 2.743 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cn3ccccc3n2)c(Cl)cc1F ZINC001193974465 1004622389 /nfs/dbraw/zinc/62/23/89/1004622389.db2.gz LXNAVVFDTSGASJ-UHFFFAOYSA-N -2 0 369.761 2.626 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ncc1Br ZINC001198730392 1004713516 /nfs/dbraw/zinc/71/35/16/1004713516.db2.gz LZDMXBXIQNQCIK-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL CC(=O)c1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782386 1004725772 /nfs/dbraw/zinc/72/57/72/1004725772.db2.gz HMSGBPHRHULNQI-UHFFFAOYSA-N -2 0 355.318 2.666 20 0 FFADRL COc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195234944 1004913008 /nfs/dbraw/zinc/91/30/08/1004913008.db2.gz UKOYNUARJRJXAV-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cnoc32)c1 ZINC001187589675 1006145392 /nfs/dbraw/zinc/14/53/92/1006145392.db2.gz MUGATPSKCRPZQD-UHFFFAOYSA-N -2 0 352.755 2.980 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)c1 ZINC001187581000 1006162249 /nfs/dbraw/zinc/16/22/49/1006162249.db2.gz DLDPDIZTGLCBEV-UHFFFAOYSA-N -3 0 363.725 2.823 20 0 FFADRL O=C([O-])c1cc(-c2ccc(S(=O)(=O)[N-]c3nccs3)cn2)cs1 ZINC001206266151 1032205572 /nfs/dbraw/zinc/20/55/72/1032205572.db2.gz ZJRUCQBVQPMUDZ-UHFFFAOYSA-N -2 0 367.433 2.766 20 0 FFADRL O=C(NCCOP(=O)([O-])[O-])C1CCC(c2ccc(Cl)cc2)CC1 ZINC001179656405 1009386223 /nfs/dbraw/zinc/38/62/23/1009386223.db2.gz PQINUNUEOYKDTR-UHFFFAOYSA-N -2 0 361.762 2.839 20 0 FFADRL O=C(NCCOP(=O)([O-])[O-])c1cn(CCCCCF)c2ccccc12 ZINC001154563920 1028357372 /nfs/dbraw/zinc/35/73/72/1028357372.db2.gz PRSHKETYAHMTBL-UHFFFAOYSA-N -2 0 372.333 2.620 20 0 FFADRL CC(C)(C)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(C(C)(C)C)c1 ZINC001226392403 1034664569 /nfs/dbraw/zinc/66/45/69/1034664569.db2.gz IEOATZUTNCBHOW-CQSZACIVSA-N -2 0 374.370 2.657 20 0 FFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)cc2=O)cc1 ZINC000832910213 1035026711 /nfs/dbraw/zinc/02/67/11/1035026711.db2.gz UKSVQMNOTGMPSU-UHFFFAOYSA-N -2 0 351.362 2.733 20 0 FFADRL Cc1cccc(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)n(C)n2)c1 ZINC001260185144 1040445489 /nfs/dbraw/zinc/44/54/89/1040445489.db2.gz SPSUOHWIISUHEN-UHFFFAOYSA-N -2 0 371.418 2.895 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nc3ccc(F)cc3o2)c1 ZINC001260208490 1040462740 /nfs/dbraw/zinc/46/27/40/1040462740.db2.gz PAUZHNLPHRASBB-UHFFFAOYSA-N -2 0 354.290 2.605 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CCC3)c1 ZINC001260215903 1040466977 /nfs/dbraw/zinc/46/69/77/1040466977.db2.gz GNNZHFHDUIOXKV-OAHLLOKOSA-N -2 0 365.382 2.694 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccsc3c2)ccc1O ZINC001260393472 1040576915 /nfs/dbraw/zinc/57/69/15/1040576915.db2.gz KDQHKFYIVXXKRY-UHFFFAOYSA-N -2 0 350.377 2.501 20 0 FFADRL CSc1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)nn1C ZINC001260869306 1040857906 /nfs/dbraw/zinc/85/79/06/1040857906.db2.gz KWVUMHUKRVFOPA-UHFFFAOYSA-N -2 0 368.267 2.955 20 0 FFADRL Cc1ccccc1-c1noc(-c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)n1 ZINC001216751687 1042114082 /nfs/dbraw/zinc/11/40/82/1042114082.db2.gz GTXLVJDKFNFNMA-UHFFFAOYSA-N -2 0 360.347 2.657 20 0 FFADRL CCOC(=O)c1ncn2cccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c12 ZINC001242162912 1044693253 /nfs/dbraw/zinc/69/32/53/1044693253.db2.gz LWSGVAHSZAGUKD-UHFFFAOYSA-N -2 0 354.318 2.574 20 0 FFADRL O=C(CCCc1nnn[n-]1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC001466340066 1063399652 /nfs/dbraw/zinc/39/96/52/1063399652.db2.gz YFMVHDNGOARMNL-UHFFFAOYSA-N -2 0 350.593 2.827 20 0 FFADRL CC(C)[C@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])C(=O)[O-] ZINC001588829564 1080211025 /nfs/dbraw/zinc/21/10/25/1080211025.db2.gz JLCADLABLAIXSD-VIFPVBQESA-N -2 0 364.623 2.895 20 0 FFADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2)cc1 ZINC001589452859 1080540876 /nfs/dbraw/zinc/54/08/76/1080540876.db2.gz MWZJMRRFUWLEQH-CHWSQXEVSA-N -2 0 361.419 2.522 20 0 FFADRL CC(C)(C(=O)[O-])c1csc(NC(=O)NCc2cccc(C(=O)[O-])c2)n1 ZINC001589656602 1080654437 /nfs/dbraw/zinc/65/44/37/1080654437.db2.gz RSIPUBOQGMHPLL-UHFFFAOYSA-N -2 0 363.395 2.525 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1C(=O)[O-] ZINC000409865066 512156810 /nfs/dbraw/zinc/15/68/10/512156810.db2.gz BXOUUFBKYKTMOY-UHFFFAOYSA-N -2 0 356.403 2.776 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cncc(Br)c2)c(C(=O)[O-])c1 ZINC000044242960 506821917 /nfs/dbraw/zinc/82/19/17/506821917.db2.gz PTUNRKQYWZAGDN-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c1C ZINC000068175898 507137841 /nfs/dbraw/zinc/13/78/41/507137841.db2.gz WTUPIJNFJTWZAD-UHFFFAOYSA-N -2 0 351.428 2.754 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C)n2)cc1C(=O)[O-] ZINC000371322408 512328421 /nfs/dbraw/zinc/32/84/21/512328421.db2.gz ZCGAURFWRQUKRI-UHFFFAOYSA-N -2 0 374.422 2.501 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)cn1 ZINC000057783593 507327847 /nfs/dbraw/zinc/32/78/47/507327847.db2.gz BJVVTSPSVFAZCW-UHFFFAOYSA-N 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/nfs/dbraw/zinc/59/49/72/510594972.db2.gz RXLSOCJETDBLKT-UHFFFAOYSA-N -2 0 374.422 2.501 20 0 FFADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000266617959 510690834 /nfs/dbraw/zinc/69/08/34/510690834.db2.gz SISJCIBBYDZOGH-UHFFFAOYSA-N -2 0 357.819 2.692 20 0 FFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2sc(C)cc2C)c1OC ZINC000292336211 511556969 /nfs/dbraw/zinc/55/69/69/511556969.db2.gz OCVLAJOFPZXUMG-UHFFFAOYSA-N -2 0 371.436 2.881 20 0 FFADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000321041189 511817747 /nfs/dbraw/zinc/81/77/47/511817747.db2.gz ZDHPPHZZKJRCEU-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])s1 ZINC000323970173 511832767 /nfs/dbraw/zinc/83/27/67/511832767.db2.gz HNRIURHZAABZLW-UHFFFAOYSA-N -2 0 356.381 2.772 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c(F)c1 ZINC000325810334 511852222 /nfs/dbraw/zinc/85/22/22/511852222.db2.gz KBXXDNBHGNKOMP-UHFFFAOYSA-N -2 0 361.297 2.926 20 0 FFADRL Cc1c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cccc1C(=O)[O-] ZINC000326754521 511862486 /nfs/dbraw/zinc/86/24/86/511862486.db2.gz JDIILPCDNIUWDM-UHFFFAOYSA-N -2 0 363.391 2.511 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c(Cl)cc1F ZINC000284985112 511956582 /nfs/dbraw/zinc/95/65/82/511956582.db2.gz FWYOTGBPMOEQGG-UHFFFAOYSA-N -2 0 373.793 2.511 20 0 FFADRL CCc1ccc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)cc1C(=O)[O-] ZINC000392700566 512927143 /nfs/dbraw/zinc/92/71/43/512927143.db2.gz GNXOOYXEOLMGNB-UHFFFAOYSA-N -2 0 365.407 2.765 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)cc1C(=O)[O-] ZINC000372860151 513076934 /nfs/dbraw/zinc/07/69/34/513076934.db2.gz SNQYFHUTJZZDID-UHFFFAOYSA-N -2 0 372.406 2.533 20 0 FFADRL O=C([O-])[C@H]1CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000417793403 513210790 /nfs/dbraw/zinc/21/07/90/513210790.db2.gz PACDYGTUVZGXIC-VIFPVBQESA-N -2 0 366.830 2.609 20 0 FFADRL CO[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cccc21 ZINC000447787772 513568592 /nfs/dbraw/zinc/56/85/92/513568592.db2.gz RNDREICXTBRBKT-HNNXBMFYSA-N -2 0 363.391 2.656 20 0 FFADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cccc21 ZINC000447787774 513568890 /nfs/dbraw/zinc/56/88/90/513568890.db2.gz RNDREICXTBRBKT-OAHLLOKOSA-N -2 0 363.391 2.656 20 0 FFADRL CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000442230877 513687228 /nfs/dbraw/zinc/68/72/28/513687228.db2.gz SEGKNHHCFNIBRB-UHFFFAOYSA-N -2 0 355.799 2.959 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436026649 513740300 /nfs/dbraw/zinc/74/03/00/513740300.db2.gz JYIKWNKDVSBNBQ-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL CCOc1ccncc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000436475661 513864967 /nfs/dbraw/zinc/86/49/67/513864967.db2.gz HMZHRJCUSMRUOH-UHFFFAOYSA-N -2 0 364.423 2.688 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1O ZINC000436649029 513930756 /nfs/dbraw/zinc/93/07/56/513930756.db2.gz QPOAWPDIJBZPGA-UHFFFAOYSA-N -2 0 350.377 2.501 20 0 FFADRL O=c1[n-]c(CCCN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)n[nH]1 ZINC000444079075 514116929 /nfs/dbraw/zinc/11/69/29/514116929.db2.gz XDFLDFPAVROZLZ-UHFFFAOYSA-N -2 0 371.253 3.380 20 0 FFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000444420813 514225009 /nfs/dbraw/zinc/22/50/09/514225009.db2.gz SSKWJDXKHBFVPW-UHFFFAOYSA-N -2 0 357.391 2.505 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cs1 ZINC000438756247 514436205 /nfs/dbraw/zinc/43/62/05/514436205.db2.gz PDWCIVQJOGJAOO-UHFFFAOYSA-N -2 0 367.326 2.972 20 0 FFADRL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C(=O)[O-])c1 ZINC000438802374 514443867 /nfs/dbraw/zinc/44/38/67/514443867.db2.gz BDGKPRCQWWCJQY-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL CC[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1[O-])OC ZINC000421161356 514511687 /nfs/dbraw/zinc/51/16/87/514511687.db2.gz WZGAGHGFSPRLEQ-MRVPVSSYSA-N -2 0 372.668 2.975 20 0 FFADRL CCCCOc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cn1 ZINC000479467554 514594126 /nfs/dbraw/zinc/59/41/26/514594126.db2.gz ZUEVJYWMYXZZAS-UHFFFAOYSA-N -2 0 369.381 2.571 20 0 FFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000479491549 514605741 /nfs/dbraw/zinc/60/57/41/514605741.db2.gz SOMMILYJOGXNFU-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)c1 ZINC000484548811 514684808 /nfs/dbraw/zinc/68/48/08/514684808.db2.gz CHLLBOZWEBBRGL-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL Cc1noc2ncc([N-]S(=O)(=O)c3cc(C)c(C)c(C(=O)[O-])c3)cc12 ZINC000471117359 514760161 /nfs/dbraw/zinc/76/01/61/514760161.db2.gz TXHQKCBWGKACNM-UHFFFAOYSA-N -2 0 361.379 2.647 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)cc(C(=O)[O-])c1C ZINC000471127591 514763373 /nfs/dbraw/zinc/76/33/73/514763373.db2.gz PKLIILDYSYPBMZ-UHFFFAOYSA-N -2 0 351.428 2.655 20 0 FFADRL Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000471577157 514936645 /nfs/dbraw/zinc/93/66/45/514936645.db2.gz IFHQHWYNHXPZMN-GFCCVEGCSA-N -2 0 374.422 2.628 20 0 FFADRL CCCNc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000480572150 515003777 /nfs/dbraw/zinc/00/37/77/515003777.db2.gz AXIZGTBYJVPROZ-UHFFFAOYSA-N -2 0 353.382 2.819 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)ccc1C(=O)[O-] ZINC000509384904 515152005 /nfs/dbraw/zinc/15/20/05/515152005.db2.gz MIKLKRJYCUJLEQ-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL Cc1cc(C(=O)N2CC3(CCC3)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000481424617 515324893 /nfs/dbraw/zinc/32/48/93/515324893.db2.gz PGYLIFNHJNOTCU-UHFFFAOYSA-N -2 0 362.389 2.827 20 0 FFADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000481434024 515327326 /nfs/dbraw/zinc/32/73/26/515327326.db2.gz JNUGRBDXDKPTNZ-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc1 ZINC000481972316 515532376 /nfs/dbraw/zinc/53/23/76/515532376.db2.gz MLWJXFOJBYJYDY-UHFFFAOYSA-N -2 0 369.402 2.572 20 0 FFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cc(C)c(C)cc3C(=O)[O-])cc12 ZINC000478704013 515933672 /nfs/dbraw/zinc/93/36/72/515933672.db2.gz UBXRPEBOPBXGNO-UHFFFAOYSA-N -2 0 361.379 2.647 20 0 FFADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000478708639 515934729 /nfs/dbraw/zinc/93/47/29/515934729.db2.gz DQQVKEJYDGFVEA-LBPRGKRZSA-N -2 0 363.439 2.808 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)c(C(=O)[O-])c1 ZINC000496096908 516234722 /nfs/dbraw/zinc/23/47/22/516234722.db2.gz ZOETXRGUQKIKEL-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL CCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1F ZINC000507615216 516263873 /nfs/dbraw/zinc/26/38/73/516263873.db2.gz GTEGIRFLYFWWRE-UHFFFAOYSA-N -2 0 367.354 2.585 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000531195669 516342528 /nfs/dbraw/zinc/34/25/28/516342528.db2.gz IKZIIJCZEFTUMU-UHFFFAOYSA-N -3 0 355.393 2.508 20 0 FFADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512785606 516357476 /nfs/dbraw/zinc/35/74/76/516357476.db2.gz LSDPAEZCAGVFEZ-UHFFFAOYSA-N -2 0 363.391 2.589 20 0 FFADRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(F)c1 ZINC000547541532 516397409 /nfs/dbraw/zinc/39/74/09/516397409.db2.gz HTMJIHVDCXBJDU-UHFFFAOYSA-N -2 0 372.736 2.989 20 0 FFADRL COc1cc(Cl)c(S(=O)(=O)NCC[C@H](C)CC(=O)[O-])cc1Cl ZINC000547571713 516415085 /nfs/dbraw/zinc/41/50/85/516415085.db2.gz CEAOUIXTTDRQIN-QMMMGPOBSA-N -2 0 370.254 2.781 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000517924726 516493836 /nfs/dbraw/zinc/49/38/36/516493836.db2.gz GKLOIOYMGGUXPO-UHFFFAOYSA-N -2 0 365.392 2.606 20 0 FFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000517923180 516493946 /nfs/dbraw/zinc/49/39/46/516493946.db2.gz AMYUFVSPOJOSDO-UHFFFAOYSA-N -2 0 357.409 2.654 20 0 FFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000535895915 516547247 /nfs/dbraw/zinc/54/72/47/516547247.db2.gz OPBVXQHYIYCBLR-UHFFFAOYSA-N -2 0 372.406 2.533 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(C(=O)[O-])c1 ZINC000551109068 516564681 /nfs/dbraw/zinc/56/46/81/516564681.db2.gz XVQYCTKWCAOOIB-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000544096626 516579134 /nfs/dbraw/zinc/57/91/34/516579134.db2.gz NMPVGRQMVVWYCQ-LLVKDONJSA-N -2 0 363.391 2.764 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nn1-c1ccc(C)cc1 ZINC000540497873 516587465 /nfs/dbraw/zinc/58/74/65/516587465.db2.gz IPCNMDPMKDLKFM-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)sc1C(=O)[O-] ZINC000523979864 516621099 /nfs/dbraw/zinc/62/10/99/516621099.db2.gz SRRBLNRQSFVVOB-UHFFFAOYSA-N -2 0 370.452 2.985 20 0 FFADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccnc1 ZINC000547899661 516624451 /nfs/dbraw/zinc/62/44/51/516624451.db2.gz BGGFVKDIXNZPKL-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)OC)cs1 ZINC000532110737 516804350 /nfs/dbraw/zinc/80/43/50/516804350.db2.gz KMFPCTLXTJPHGQ-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000548205127 516824985 /nfs/dbraw/zinc/82/49/85/516824985.db2.gz GKIGNWZVBSNDLN-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1F ZINC000532291868 516895309 /nfs/dbraw/zinc/89/53/09/516895309.db2.gz UXANFCWCWQQZGA-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)[O-])cn1 ZINC000551946587 516979506 /nfs/dbraw/zinc/97/95/06/516979506.db2.gz XCOWTONDPHSKJU-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000548527327 517037209 /nfs/dbraw/zinc/03/72/09/517037209.db2.gz XNHUSZVLQPITLE-UHFFFAOYSA-N -3 0 355.755 2.537 20 0 FFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c1 ZINC000548534120 517038719 /nfs/dbraw/zinc/03/87/19/517038719.db2.gz QBWZDPCDEVGLHR-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1[C@@H](C)C1CC1 ZINC000542237093 517454440 /nfs/dbraw/zinc/45/44/40/517454440.db2.gz UDHGLSXSWKXZLG-VIFPVBQESA-N -2 0 355.441 2.723 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c2ncccc12 ZINC000546728406 517822320 /nfs/dbraw/zinc/82/23/20/517822320.db2.gz RKEMMCKQLCYHTB-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000534332110 517854942 /nfs/dbraw/zinc/85/49/42/517854942.db2.gz VXJSAMASSFSPAV-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000534401544 517881490 /nfs/dbraw/zinc/88/14/90/517881490.db2.gz OXIJQHPWONJXRU-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)c(Cl)c1 ZINC000534792048 518034297 /nfs/dbraw/zinc/03/42/97/518034297.db2.gz FGENQYIQPFOUOG-UHFFFAOYSA-N -2 0 369.708 2.581 20 0 FFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000534971996 518102506 /nfs/dbraw/zinc/10/25/06/518102506.db2.gz KURMAXIDZZLJJV-UHFFFAOYSA-N -2 0 356.400 2.967 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])o1 ZINC000569951046 518372869 /nfs/dbraw/zinc/37/28/69/518372869.db2.gz KEFXOFIUDICBMQ-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL CC[C@@H](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC000584824146 518493982 /nfs/dbraw/zinc/49/39/82/518493982.db2.gz PXLOVTGYZOGGNK-QMMMGPOBSA-N -2 0 357.325 2.624 20 0 FFADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cccc21 ZINC000564811962 518627263 /nfs/dbraw/zinc/62/72/63/518627263.db2.gz BQPGTFTVBZFBET-GFCCVEGCSA-N -2 0 369.420 2.717 20 0 FFADRL CN(CCCC(=O)[O-])C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000567862782 518754612 /nfs/dbraw/zinc/75/46/12/518754612.db2.gz UIDYOFLWXSYJLK-UHFFFAOYSA-N -2 0 350.596 2.745 20 0 FFADRL COCC[C@H](Cc1cccc(-c2cc(C(=O)[O-])ccc2CO)c1)C(=O)[O-] ZINC000565239741 518857526 /nfs/dbraw/zinc/85/75/26/518857526.db2.gz YQHRAOVCZUXNMZ-MRXNPFEDSA-N -2 0 358.390 2.824 20 0 FFADRL O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1cccc(Br)c1[O-] ZINC000582765537 518910014 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C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001594479359 985514851 /nfs/dbraw/zinc/51/48/51/985514851.db2.gz WFLQDYUATWSECW-WCBMZHEXSA-N -2 0 374.315 2.978 20 0 FFADRL C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001594479357 985514997 /nfs/dbraw/zinc/51/49/97/985514997.db2.gz WFLQDYUATWSECW-PSASIEDQSA-N -2 0 374.315 2.978 20 0 FFADRL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc(SC)c1 ZINC001597076147 986608685 /nfs/dbraw/zinc/60/86/85/986608685.db2.gz NVCIKNHGWPLBGG-UHFFFAOYSA-N -2 0 368.436 2.701 20 0 FFADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)c1 ZINC001594717486 987194479 /nfs/dbraw/zinc/19/44/79/987194479.db2.gz XTLNPZWWWWWSTD-UHFFFAOYSA-N -2 0 368.798 2.827 20 0 FFADRL CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001597267177 987300706 /nfs/dbraw/zinc/30/07/06/987300706.db2.gz GBKUDTROPOTADP-UHFFFAOYSA-N -2 0 370.427 2.973 20 0 FFADRL CCc1[nH]c(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)c1C(=O)[O-] ZINC001597366514 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367.405 2.865 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)ccc1C(=O)[O-] ZINC000671166967 992853788 /nfs/dbraw/zinc/85/37/88/992853788.db2.gz VYRSOKSDVMYNNW-UHFFFAOYSA-N -2 0 374.418 2.994 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nccc(C)c1C1CC1 ZINC001599387737 996974764 /nfs/dbraw/zinc/97/47/64/996974764.db2.gz LUYALKWLOQKIKQ-UHFFFAOYSA-N -2 0 368.436 2.837 20 0 FFADRL COc1ccc(C(=O)c2cc3cc(C(=O)[O-])ccc3o2)c2occ([O-])c21 ZINC001599505555 997205588 /nfs/dbraw/zinc/20/55/88/997205588.db2.gz PVIWZJJGUJBBDT-UHFFFAOYSA-N -2 0 352.298 2.946 20 0 FFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc(C(=O)[O-])c1 ZINC001598948984 998112392 /nfs/dbraw/zinc/11/23/92/998112392.db2.gz ONPKVOZAKDNSGS-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cc4[nH]ccc4c(C(=O)[O-])c3)cn21 ZINC001594389413 999475544 /nfs/dbraw/zinc/47/55/44/999475544.db2.gz XSOGBYDHTNQCEI-JTQLQIEISA-N -2 0 374.422 2.761 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)no2)cc1C(=O)[O-] ZINC001185272128 1002893890 /nfs/dbraw/zinc/89/38/90/1002893890.db2.gz ZTCQCDWVLHJMHQ-UHFFFAOYSA-N -2 0 366.395 2.840 20 0 FFADRL Cc1nc2sccc2c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001185871745 1003090675 /nfs/dbraw/zinc/09/06/75/1003090675.db2.gz WUSJWFXHCSQFTL-UHFFFAOYSA-N -2 0 363.420 2.807 20 0 FFADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cnccn3)cc2)c1 ZINC001196067693 1003651080 /nfs/dbraw/zinc/65/10/80/1003651080.db2.gz DBDGRPUBSKYVGF-UHFFFAOYSA-N -2 0 355.375 2.643 20 0 FFADRL Cc1cncnc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196076454 1003664413 /nfs/dbraw/zinc/66/44/13/1003664413.db2.gz VAKNIDLIDXUTDT-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ncccc2OC(F)F)cc1 ZINC001192113918 1004056163 /nfs/dbraw/zinc/05/61/63/1004056163.db2.gz PENUWGCQFMEOCZ-UHFFFAOYSA-N -2 0 372.349 2.501 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(O)c2)c(Cl)cc1Cl ZINC001192402449 1004163146 /nfs/dbraw/zinc/16/31/46/1004163146.db2.gz 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CCOc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188277383 1006498599 /nfs/dbraw/zinc/49/85/99/1006498599.db2.gz WHOUZADYDKLXTR-UHFFFAOYSA-N -2 0 356.787 2.633 20 0 FFADRL COc1c(O)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188322397 1006513413 /nfs/dbraw/zinc/51/34/13/1006513413.db2.gz DNKPPTQXODIEDI-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL COC(=O)c1c(C)scc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189873069 1007318097 /nfs/dbraw/zinc/31/80/97/1007318097.db2.gz ZSUXMCZHGSLJLR-UHFFFAOYSA-N -2 0 371.307 2.567 20 0 FFADRL Cc1cc(C(=O)N2c3ccc(Cl)cc3C[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001181547306 1010145402 /nfs/dbraw/zinc/14/54/02/1010145402.db2.gz HSLBTRAZUPEWNK-SECBINFHSA-N -2 0 370.796 2.989 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)c(C)cc1C ZINC000680810010 1018186567 /nfs/dbraw/zinc/18/65/67/1018186567.db2.gz XVSMYVXFLAMCOQ-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL O=C([O-])c1sccc1-c1ccc(S(=O)(=O)[N-]c2nccs2)cn1 ZINC001205548107 1031826119 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351.771 2.540 20 0 FFADRL CCc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC001260183974 1040442253 /nfs/dbraw/zinc/44/22/53/1040442253.db2.gz LMXVMFKTFZHWKG-UHFFFAOYSA-N -2 0 371.418 2.934 20 0 FFADRL Cc1nc(C(F)(F)F)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC001260183337 1040443248 /nfs/dbraw/zinc/44/32/48/1040443248.db2.gz LHSINHDYVWXUFQ-UHFFFAOYSA-N -2 0 366.342 2.969 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccncc2Oc2ccccc2)c1 ZINC001260183175 1040443325 /nfs/dbraw/zinc/44/33/25/1040443325.db2.gz AVDGYCGWLTVCBL-UHFFFAOYSA-N -2 0 370.386 2.795 20 0 FFADRL COc1cc2cccnc2c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260189594 1040446636 /nfs/dbraw/zinc/44/66/36/1040446636.db2.gz OCIWRQADJVQGBZ-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnc3cccc(O)c3c2)c1 ZINC001260209707 1040464496 /nfs/dbraw/zinc/46/44/96/1040464496.db2.gz DDWFVLCULVSUHB-UHFFFAOYSA-N -2 0 362.338 2.579 20 0 FFADRL Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F 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356.227 2.855 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])n2)cc1 ZINC001588963094 1080284333 /nfs/dbraw/zinc/28/43/33/1080284333.db2.gz UFQPYOOJOSSVBP-CABCVRRESA-N -2 0 357.410 2.684 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ncsc2C(C)C)cc1C(=O)[O-] ZINC000288220017 257161941 /nfs/dbraw/zinc/16/19/41/257161941.db2.gz MNPFPVCSYBBZJM-UHFFFAOYSA-N -2 0 356.425 2.774 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC000321265391 258116008 /nfs/dbraw/zinc/11/60/08/258116008.db2.gz GKWIEDPATJZLJU-UHFFFAOYSA-N -2 0 350.377 2.902 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c1C ZINC000024433346 507410923 /nfs/dbraw/zinc/41/09/23/507410923.db2.gz TWBIWXNJIVDFOB-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000026546862 507597846 /nfs/dbraw/zinc/59/78/46/507597846.db2.gz UHFWAIMCIVDMMW-UHFFFAOYSA-N -2 0 353.371 2.652 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c1 ZINC000156363328 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361.297 2.910 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(O)c1 ZINC000324641321 511838561 /nfs/dbraw/zinc/83/85/61/511838561.db2.gz UQGHXNGLSWYNTH-UHFFFAOYSA-N -2 0 361.297 2.910 20 0 FFADRL CC(C)n1ncc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cnc21 ZINC000324807003 511840018 /nfs/dbraw/zinc/84/00/18/511840018.db2.gz JVWWSEFFCWTQTA-UHFFFAOYSA-N -2 0 366.424 2.573 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000324910839 511843197 /nfs/dbraw/zinc/84/31/97/511843197.db2.gz PVHVLJXFJGROCS-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)no1 ZINC000366259213 511927444 /nfs/dbraw/zinc/92/74/44/511927444.db2.gz MXORJOFRKSGLFQ-UHFFFAOYSA-N -2 0 373.390 2.852 20 0 FFADRL CC(C)Oc1c([N-]S(=O)(=O)c2cnn(C(C)C)c2)cccc1C(=O)[O-] ZINC000281983359 512036992 /nfs/dbraw/zinc/03/69/92/512036992.db2.gz MEUHYGAGYNLGOF-UHFFFAOYSA-N -2 0 367.427 2.750 20 0 FFADRL CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C(=O)[O-] ZINC000392729886 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ZINC001167936123 978193392 /nfs/dbraw/zinc/19/33/92/978193392.db2.gz HXWFIPRJUUWRFW-UHFFFAOYSA-N -2 0 357.306 2.821 20 0 FFADRL C[C@@H](CCCc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001592492728 978288508 /nfs/dbraw/zinc/28/85/08/978288508.db2.gz YMJREAICVAKSCC-GGXMVYKUSA-N -2 0 373.449 2.669 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](C(=O)[O-])[C@H]3C)n2)c1 ZINC000909809765 981726098 /nfs/dbraw/zinc/72/60/98/981726098.db2.gz UGAPPJRHJWCCJB-DOMZBBRYSA-N -2 0 357.410 2.637 20 0 FFADRL CCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001595667054 982109137 /nfs/dbraw/zinc/10/91/37/982109137.db2.gz YSNYCFVHYNLWHL-CQSZACIVSA-N -2 0 362.473 2.643 20 0 FFADRL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(F)(F)F ZINC001594853404 982112577 /nfs/dbraw/zinc/11/25/77/982112577.db2.gz UUWVSNXYPZNHHU-NSHDSACASA-N -2 0 361.288 2.672 20 0 FFADRL CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC001595003815 982916771 /nfs/dbraw/zinc/91/67/71/982916771.db2.gz GRMWRWPWFNDMBS-LLVKDONJSA-N -2 0 350.396 2.758 20 0 FFADRL CCCOc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC001595976090 983214708 /nfs/dbraw/zinc/21/47/08/983214708.db2.gz ZHXRMYNQROJIKU-UHFFFAOYSA-N -2 0 350.396 2.678 20 0 FFADRL C[C@@H]1CN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC[C@H]1C(=O)[O-] ZINC001594487133 985572092 /nfs/dbraw/zinc/57/20/92/985572092.db2.gz OMBIEZJNVSJDHG-NXEZZACHSA-N -2 0 366.439 2.900 20 0 FFADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC001599960734 985776754 /nfs/dbraw/zinc/77/67/54/985776754.db2.gz MUIMSCLZZGPOHJ-QGZVFWFLSA-N -2 0 361.419 2.696 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2C(=O)[O-])cn1 ZINC001597137240 986875252 /nfs/dbraw/zinc/87/52/52/986875252.db2.gz DYZROLVNMHHOFU-UHFFFAOYSA-N -2 0 350.396 2.542 20 0 FFADRL CCC(=O)c1ccccc1[N-]S(=O)(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC001594722261 987210927 /nfs/dbraw/zinc/21/09/27/987210927.db2.gz LCWQAVSCHCVYTC-HNNXBMFYSA-N -2 0 361.419 2.889 20 0 FFADRL CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001597530814 988189153 /nfs/dbraw/zinc/18/91/53/988189153.db2.gz PXCQMOMCLNWIGO-UHFFFAOYSA-N -2 0 371.846 2.547 20 0 FFADRL CSc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)cc1Cl ZINC001599821181 988516837 /nfs/dbraw/zinc/51/68/37/988516837.db2.gz MHMNLNJHGAXYIC-UHFFFAOYSA-N -2 0 372.855 2.885 20 0 FFADRL CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc2[nH]1 ZINC001590545935 990186624 /nfs/dbraw/zinc/18/66/24/990186624.db2.gz WLFQYZPECIYOQD-UHFFFAOYSA-N -2 0 362.411 2.688 20 0 FFADRL COc1ccccc1C[C@@H](CNC(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC001599710957 991369480 /nfs/dbraw/zinc/36/94/80/991369480.db2.gz XRFKKZJDYCVBNE-LBPRGKRZSA-N -2 0 363.797 2.728 20 0 FFADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001598537919 992861256 /nfs/dbraw/zinc/86/12/56/992861256.db2.gz RIOQYZLJMQDAJI-UHFFFAOYSA-N -2 0 361.354 2.506 20 0 FFADRL C[C@]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)(C1CC1)C(F)(F)F ZINC001593326931 994884458 /nfs/dbraw/zinc/88/44/58/994884458.db2.gz QZQCZAFTIFUHDX-LBPRGKRZSA-N -2 0 355.309 2.533 20 0 FFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1c(C)sc(C)c1C(=O)[O-] ZINC001599682462 995004521 /nfs/dbraw/zinc/00/45/21/995004521.db2.gz OMAZIEVHIYWHEP-UHFFFAOYSA-N -2 0 371.436 2.881 20 0 FFADRL COC(=O)[C@@H](C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC001598693881 995106215 /nfs/dbraw/zinc/10/62/15/995106215.db2.gz WBPVRHGIHOQLBN-VIFPVBQESA-N -2 0 369.420 2.524 20 0 FFADRL CC1(C)CC=C(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001593870508 996680817 /nfs/dbraw/zinc/68/08/17/996680817.db2.gz DYMOZEWNPIEZMJ-UHFFFAOYSA-N -2 0 371.842 2.980 20 0 FFADRL COCc1nc(NC(=O)c2cc(F)c([O-])c(Cl)c2)sc1C(=O)[O-] ZINC001599302167 997252564 /nfs/dbraw/zinc/25/25/64/997252564.db2.gz VGPPTJHZAFHTAO-UHFFFAOYSA-N -2 0 360.750 2.738 20 0 FFADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599418883 997558577 /nfs/dbraw/zinc/55/85/77/997558577.db2.gz PRGNGZPOQNRMJJ-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL COc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC001599423433 997631804 /nfs/dbraw/zinc/63/18/04/997631804.db2.gz LPZQKQDWTWFZBA-UHFFFAOYSA-N -2 0 366.370 2.606 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)ccc1Cl ZINC001599445300 997999509 /nfs/dbraw/zinc/99/95/09/997999509.db2.gz CXZQCIYCHNCUQF-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001594344904 999304398 /nfs/dbraw/zinc/30/43/98/999304398.db2.gz KDZIWHBKFPFJSQ-STQMWFEESA-N -2 0 353.440 2.547 20 0 FFADRL C[C@@H]1CCN(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC001594406331 999521279 /nfs/dbraw/zinc/52/12/79/999521279.db2.gz WGQAMWIKNIKTQJ-SCZZXKLOSA-N -2 0 352.412 2.898 20 0 FFADRL O=C(Nc1ccnc(Cl)c1Cl)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148915057 1001234090 /nfs/dbraw/zinc/23/40/90/1001234090.db2.gz JNLBNJWJZMIWMV-UHFFFAOYSA-N -2 0 363.178 2.593 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2C)cc1C(=O)[O-] ZINC001185269007 1002891542 /nfs/dbraw/zinc/89/15/42/1002891542.db2.gz FDDDJBLKABLHEL-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cnccc2C2CCC2)cc1C(=O)[O-] ZINC001185275635 1002896264 /nfs/dbraw/zinc/89/62/64/1002896264.db2.gz MMDDGHXRYKUCIN-UHFFFAOYSA-N -2 0 362.407 2.857 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccsc3c2)ccc1F ZINC001186150653 1003198813 /nfs/dbraw/zinc/19/88/13/1003198813.db2.gz JOWMJKDPWBYILF-UHFFFAOYSA-N -2 0 352.368 2.934 20 0 FFADRL CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000794332727 1003610557 /nfs/dbraw/zinc/61/05/57/1003610557.db2.gz XPOLPYUAPHGXLZ-ZYHUDNBSSA-N -2 0 360.414 2.574 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)ncn1C ZINC001196075870 1003663240 /nfs/dbraw/zinc/66/32/40/1003663240.db2.gz VGLQGRFTZNPKEY-UHFFFAOYSA-N -2 0 371.418 2.895 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2O)c(Cl)cc1Cl ZINC001192401687 1004163116 /nfs/dbraw/zinc/16/31/16/1004163116.db2.gz QKRSBNSKHYARBK-UHFFFAOYSA-N -2 0 363.178 2.593 20 0 FFADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193971315 1004621696 /nfs/dbraw/zinc/62/16/96/1004621696.db2.gz BHKAYDISMKGVPF-UHFFFAOYSA-N -2 0 374.777 2.690 20 0 FFADRL Cc1cccc(CO)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194016304 1004630907 /nfs/dbraw/zinc/63/09/07/1004630907.db2.gz DVINYQREUIYVKY-UHFFFAOYSA-N -2 0 373.789 2.779 20 0 FFADRL Cc1oncc1S(=O)(=O)[N-]c1ccc([C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001187380262 1006046853 /nfs/dbraw/zinc/04/68/53/1006046853.db2.gz ZHEDXTQWTVFMGH-AWEZNQCLSA-N -2 0 352.412 2.998 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ncc2O)ccc1Cl ZINC001188279529 1006500323 /nfs/dbraw/zinc/50/03/23/1006500323.db2.gz GHRYKFZIAJMHIB-UHFFFAOYSA-N -2 0 363.178 2.593 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cnncc32)ccc1Cl ZINC001188308468 1006528020 /nfs/dbraw/zinc/52/80/20/1006528020.db2.gz BDMGVHIVAFPFGM-UHFFFAOYSA-N -2 0 363.782 2.782 20 0 FFADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001189886516 1007356347 /nfs/dbraw/zinc/35/63/47/1007356347.db2.gz HLORJTHTAYQUDW-BETUJISGSA-N -2 0 359.318 2.885 20 0 FFADRL C[C@@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])c1cc(F)cc(F)c1 ZINC001189899972 1007367448 /nfs/dbraw/zinc/36/74/48/1007367448.db2.gz LMGKFXURXZUTPV-SECBINFHSA-N -2 0 357.249 2.927 20 0 FFADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC001116683012 1021351754 /nfs/dbraw/zinc/35/17/54/1021351754.db2.gz OEQWVZPIKHWEQB-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL Cc1ccccc1NC(=S)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000016384379 1027402051 /nfs/dbraw/zinc/40/20/51/1027402051.db2.gz QRPGTTBEHYULHF-UHFFFAOYSA-N -2 0 367.434 2.518 20 0 FFADRL CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccsc1C(=O)[O-] ZINC001205614751 1031874346 /nfs/dbraw/zinc/87/43/46/1031874346.db2.gz PQFOMERRTDAITD-UHFFFAOYSA-N -2 0 351.409 2.951 20 0 FFADRL CC[C@@H](C)Oc1cc(S(=O)(=O)[O-])cc2cccc(S(=O)(=O)[O-])c21 ZINC001227552114 1035606779 /nfs/dbraw/zinc/60/67/79/1035606779.db2.gz YJZMHACMXMICRP-SECBINFHSA-N -2 0 360.409 2.511 20 0 FFADRL C[C@H](Oc1[nH]c(=O)nc2cn[n-]c21)c1c(F)cccc1Br ZINC001233945146 1036837837 /nfs/dbraw/zinc/83/78/37/1036837837.db2.gz QUMHVNDYBYEYFD-LURJTMIESA-N -2 0 353.151 2.688 20 0 FFADRL O=C([O-])c1cccc(-n2[n-]c(-c3ccc(N4CCOCC4)cc3)cc2=O)c1 ZINC001245941616 1039154390 /nfs/dbraw/zinc/15/43/90/1039154390.db2.gz FANJADSWDONVQO-UHFFFAOYSA-N -2 0 365.389 2.780 20 0 FFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259220195 1039813067 /nfs/dbraw/zinc/81/30/67/1039813067.db2.gz YZLIPQMXGCRQMR-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2F)cc1 ZINC001260222040 1040473968 /nfs/dbraw/zinc/47/39/68/1040473968.db2.gz IKHVOXHASFLMIG-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)C(F)(F)F)cc1 ZINC001260229189 1040477709 /nfs/dbraw/zinc/47/77/09/1040477709.db2.gz VMYYHDOEAPHYMN-UHFFFAOYSA-N -2 0 373.308 2.931 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2sc(NC(C)=O)nc2C)ccc1[S-] ZINC001250819780 1041384372 /nfs/dbraw/zinc/38/43/72/1041384372.db2.gz JMGRCMPGQPMPCR-UHFFFAOYSA-N -2 0 373.481 2.508 20 0 FFADRL CC(C)(C)OC(=O)Nc1ncc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001241850007 1044615496 /nfs/dbraw/zinc/61/54/96/1044615496.db2.gz IHBTZUJAZAEGOC-UHFFFAOYSA-N -2 0 359.338 2.887 20 0 FFADRL COc1cc2cnnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2cc1OC ZINC001242159437 1044691170 /nfs/dbraw/zinc/69/11/70/1044691170.db2.gz OLAGDFZEIIBHOO-UHFFFAOYSA-N -2 0 354.318 2.710 20 0 FFADRL CCOC(=O)c1cn2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2n1 ZINC001242161483 1044691702 /nfs/dbraw/zinc/69/17/02/1044691702.db2.gz XEAOJECHNZKAKL-UHFFFAOYSA-N -2 0 354.318 2.574 20 0 FFADRL CCOC(=O)c1cnc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccn12 ZINC001242162903 1044692792 /nfs/dbraw/zinc/69/27/92/1044692792.db2.gz MMKKBNVIMHRAPG-UHFFFAOYSA-N -2 0 354.318 2.574 20 0 FFADRL Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001455785251 1059914259 /nfs/dbraw/zinc/91/42/59/1059914259.db2.gz HIVQRMGNYQRXTO-AWEZNQCLSA-N -2 0 366.421 2.742 20 0 FFADRL C=Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CC[C@@H](C(=O)[O-])C3)cc1 ZINC001588921267 1080266609 /nfs/dbraw/zinc/26/66/09/1080266609.db2.gz DXAWHCDUQMYMKO-LLVKDONJSA-N -2 0 364.448 2.776 20 0 FFADRL CC(C)(C)OC(=O)N[C@H](C(=O)[N-]OCCCC(=O)[O-])C1CCCCCC1 ZINC001590110381 1081019951 /nfs/dbraw/zinc/01/99/51/1081019951.db2.gz UMWOTMXPUSSSCR-HNNXBMFYSA-N -2 0 372.462 2.763 20 0 FFADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013278799 220062944 /nfs/dbraw/zinc/06/29/44/220062944.db2.gz OEERHRUPKDWLCU-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000272443139 252040019 /nfs/dbraw/zinc/04/00/19/252040019.db2.gz UGJZCADBYWSCQM-UHFFFAOYSA-N -2 0 371.365 2.643 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000042793359 506668438 /nfs/dbraw/zinc/66/84/38/506668438.db2.gz WFFYGMSNXVVEEH-UHFFFAOYSA-N -2 0 373.333 2.796 20 0 FFADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000068077342 507100961 /nfs/dbraw/zinc/10/09/61/507100961.db2.gz MCRPMGJWGFJDIZ-UHFFFAOYSA-N -2 0 362.407 2.761 20 0 FFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000060800231 507577947 /nfs/dbraw/zinc/57/79/47/507577947.db2.gz ZMVNSGNWRLOKMQ-UHFFFAOYSA-N -2 0 354.315 2.541 20 0 FFADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000145802484 508846968 /nfs/dbraw/zinc/84/69/68/508846968.db2.gz CYKRMWQBPMXZBQ-UHFFFAOYSA-N -2 0 374.733 2.886 20 0 FFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000181701929 510547543 /nfs/dbraw/zinc/54/75/43/510547543.db2.gz BKJDJGWCZWIRQI-UHFFFAOYSA-N -2 0 365.455 2.963 20 0 FFADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000266591236 510677401 /nfs/dbraw/zinc/67/74/01/510677401.db2.gz ODZOICVSLUKGGA-UHFFFAOYSA-N -2 0 357.819 2.692 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1C(=O)[O-] ZINC000361685200 511079703 /nfs/dbraw/zinc/07/97/03/511079703.db2.gz MJOLXYUWMVRXTB-UHFFFAOYSA-N -2 0 361.379 2.662 20 0 FFADRL COc1cc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)c(Cl)cc1C(=O)[O-] ZINC000281177584 511749285 /nfs/dbraw/zinc/74/92/85/511749285.db2.gz QKORPPPLTDDHDE-UHFFFAOYSA-N -2 0 373.818 2.625 20 0 FFADRL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000319981859 511812776 /nfs/dbraw/zinc/81/27/76/511812776.db2.gz FOGZVZPCIUGLLS-UHFFFAOYSA-N -2 0 354.409 2.596 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000322791781 511825856 /nfs/dbraw/zinc/82/58/56/511825856.db2.gz PCDFRXKYLYOXBQ-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000327478942 511877230 /nfs/dbraw/zinc/87/72/30/511877230.db2.gz VYZZNOOXAAGJAW-UHFFFAOYSA-N -2 0 367.354 2.501 20 0 FFADRL CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cc1C(=O)[O-] ZINC000327502489 511877530 /nfs/dbraw/zinc/87/75/30/511877530.db2.gz NSIYGGXHICRBFD-UHFFFAOYSA-N -2 0 363.391 2.755 20 0 FFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])s1 ZINC000281886145 512000043 /nfs/dbraw/zinc/00/00/43/512000043.db2.gz OJMASXXFICNNDD-UHFFFAOYSA-N -2 0 354.453 2.968 20 0 FFADRL Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)o1 ZINC000376509566 512850137 /nfs/dbraw/zinc/85/01/37/512850137.db2.gz MHXLRNYLXAZLHO-UHFFFAOYSA-N -2 0 373.390 2.852 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)sc1C(=O)[O-] ZINC000383693422 512882121 /nfs/dbraw/zinc/88/21/21/512882121.db2.gz FSDHNADZARKJNZ-UHFFFAOYSA-N -2 0 353.421 2.881 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2 ZINC000392194212 512922398 /nfs/dbraw/zinc/92/23/98/512922398.db2.gz WSPNNSMOZZVMQO-UHFFFAOYSA-N -2 0 353.352 2.594 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c(F)c1 ZINC000393044444 512930341 /nfs/dbraw/zinc/93/03/41/512930341.db2.gz FINDDUDGDSAYAR-UHFFFAOYSA-N -2 0 361.354 2.715 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC000396422423 512942110 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CCCn1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C1CC1 ZINC000451081756 513503655 /nfs/dbraw/zinc/50/36/55/513503655.db2.gz FAIWFHGEKSACSX-UHFFFAOYSA-N -2 0 363.439 2.598 20 0 FFADRL CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000451102625 513523625 /nfs/dbraw/zinc/52/36/25/513523625.db2.gz JZGVGGUHINCWCY-UHFFFAOYSA-N -2 0 356.425 2.531 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)cc1C(=O)[O-] ZINC000451105331 513525600 /nfs/dbraw/zinc/52/56/00/513525600.db2.gz UPJULIPZSKOFCT-UHFFFAOYSA-N -2 0 356.425 2.774 20 0 FFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c1 ZINC000442240057 513688543 /nfs/dbraw/zinc/68/85/43/513688543.db2.gz WALVGFQLAUIZRI-UHFFFAOYSA-N -2 0 363.725 2.823 20 0 FFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000436495377 513872537 /nfs/dbraw/zinc/87/25/37/513872537.db2.gz KBJZMLZQZOAUGO-UHFFFAOYSA-N -2 0 351.355 2.908 20 0 FFADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000436612494 513918327 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Cc1nn(C)c(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])c1C(F)F ZINC000414382141 514081238 /nfs/dbraw/zinc/08/12/38/514081238.db2.gz NVGCNZLYXFQSPO-UHFFFAOYSA-N -2 0 373.381 2.782 20 0 FFADRL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1Cl ZINC000432755110 514277136 /nfs/dbraw/zinc/27/71/36/514277136.db2.gz AIQZBUVNIHBRNP-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1[O-] ZINC000421143957 514502650 /nfs/dbraw/zinc/50/26/50/514502650.db2.gz BEODRHHVVUBUJO-MRXNPFEDSA-N -2 0 363.435 2.594 20 0 FFADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433500279 514504822 /nfs/dbraw/zinc/50/48/22/514504822.db2.gz HEDMBTVWZTVDFX-UHFFFAOYSA-N -2 0 373.333 2.801 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000479490198 514604209 /nfs/dbraw/zinc/60/42/09/514604209.db2.gz SIESMTQNGPVXND-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000484577557 514700074 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COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000467079973 514891190 /nfs/dbraw/zinc/89/11/90/514891190.db2.gz BLUCUWREFSWWQE-UHFFFAOYSA-N -2 0 353.371 2.571 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1Cl ZINC000509076682 515012528 /nfs/dbraw/zinc/01/25/28/515012528.db2.gz XINZZMOTXOAMKC-UHFFFAOYSA-N -2 0 355.755 2.568 20 0 FFADRL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000481468094 515338062 /nfs/dbraw/zinc/33/80/62/515338062.db2.gz RKDKQMKEMSWXSY-UHFFFAOYSA-N -2 0 370.814 2.611 20 0 FFADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000477341802 515419007 /nfs/dbraw/zinc/41/90/07/515419007.db2.gz PDTDSQYBJKIGRV-UHFFFAOYSA-N -2 0 356.403 2.971 20 0 FFADRL CCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000496096866 516235403 /nfs/dbraw/zinc/23/54/03/516235403.db2.gz ZCCJEOLKRJWMSN-UHFFFAOYSA-N -2 0 363.391 2.755 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1 ZINC000470446231 516251277 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N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000547541454 516398364 /nfs/dbraw/zinc/39/83/64/516398364.db2.gz XTAZSJJUJCSZQK-UHFFFAOYSA-N -2 0 350.783 2.640 20 0 FFADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c1 ZINC000547548257 516401581 /nfs/dbraw/zinc/40/15/81/516401581.db2.gz KOVGKPKWJHKVFH-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL Cn1ncc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1C(=O)[O-] ZINC000540293832 516503346 /nfs/dbraw/zinc/50/33/46/516503346.db2.gz ZABALUXWTFUOHB-UHFFFAOYSA-N -2 0 371.374 2.819 20 0 FFADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C(=O)[O-])c1 ZINC000548206706 516826082 /nfs/dbraw/zinc/82/60/82/516826082.db2.gz BDVQTTWCYVIGOU-UHFFFAOYSA-N -2 0 374.340 2.669 20 0 FFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000548225170 516835933 /nfs/dbraw/zinc/83/59/33/516835933.db2.gz KAOGNCQAKPJPHA-UHFFFAOYSA-N -2 0 357.819 2.692 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cncc3ccccc32)ccc1OCC(=O)[O-] ZINC000536660124 516880423 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COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c2ncccc12 ZINC000546022341 517495769 /nfs/dbraw/zinc/49/57/69/517495769.db2.gz VKUSHEDISAHEHR-UHFFFAOYSA-N -2 0 362.363 2.644 20 0 FFADRL Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2)n1 ZINC000559996576 517523866 /nfs/dbraw/zinc/52/38/66/517523866.db2.gz QTRHCKXGKDTDSC-UHFFFAOYSA-N -2 0 361.379 2.581 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC2(C)C ZINC000530141136 517587785 /nfs/dbraw/zinc/58/77/85/517587785.db2.gz BVJGTRZJGYXTST-UHFFFAOYSA-N -2 0 351.380 2.757 20 0 FFADRL O=C([O-])CCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000533951134 517681290 /nfs/dbraw/zinc/68/12/90/517681290.db2.gz FGHRFLUNSLTKBH-UHFFFAOYSA-N -2 0 361.419 2.830 20 0 FFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000542735442 517709331 /nfs/dbraw/zinc/70/93/31/517709331.db2.gz REYRKTQKUJKNJI-SNVBAGLBSA-N -2 0 355.437 2.821 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000530887917 518033669 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20 0 FFADRL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000565057026 518764763 /nfs/dbraw/zinc/76/47/63/518764763.db2.gz APHNVUNONRVFSI-SECBINFHSA-N -2 0 355.790 2.786 20 0 FFADRL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000565057348 518767093 /nfs/dbraw/zinc/76/70/93/518767093.db2.gz DTRCNLAEVQQRMW-KYZUINATSA-N -2 0 367.801 2.788 20 0 FFADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c2ccccc2n1C ZINC000582895913 518973835 /nfs/dbraw/zinc/97/38/35/518973835.db2.gz VWUAEMBRLWVBLT-UHFFFAOYSA-N -2 0 360.391 2.691 20 0 FFADRL COc1cccc2c1n[nH]c2C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000580179564 519045074 /nfs/dbraw/zinc/04/50/74/519045074.db2.gz VBFHMIZDOACHRO-UHFFFAOYSA-N -2 0 365.418 2.688 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(C)c(OC)c1 ZINC000571625140 519187600 /nfs/dbraw/zinc/18/76/00/519187600.db2.gz LLRHIFWLLJKJTG-UHFFFAOYSA-N -2 0 371.436 2.881 20 0 FFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000566326162 519433639 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FFADRL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738756846 600245879 /nfs/dbraw/zinc/24/58/79/600245879.db2.gz NRHIPKLKUDSHNR-LLVKDONJSA-N -2 0 367.448 2.753 20 0 FFADRL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736904336 600520222 /nfs/dbraw/zinc/52/02/22/600520222.db2.gz SEPDVRPUEJPYJT-GFCCVEGCSA-N -2 0 367.448 2.520 20 0 FFADRL C[C@@H](CN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000736586281 600685556 /nfs/dbraw/zinc/68/55/56/600685556.db2.gz ZVBORJXHTMZVEQ-HNNXBMFYSA-N -2 0 366.421 2.696 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nc2cc(F)ccc2n1C ZINC000832852716 600988116 /nfs/dbraw/zinc/98/81/16/600988116.db2.gz GZKFCCKMJLPSOI-UHFFFAOYSA-N -2 0 363.370 2.520 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000326449696 601119708 /nfs/dbraw/zinc/11/97/08/601119708.db2.gz WJYCKEGOJYALMP-UHFFFAOYSA-N -3 0 369.782 2.846 20 0 FFADRL Cc1cc(C)c(NS(=O)(=O)Cc2ccccc2C(=O)[O-])c(C(=O)[O-])c1 ZINC000738358747 601120460 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FFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000833023358 601363095 /nfs/dbraw/zinc/36/30/95/601363095.db2.gz ZKRIOXPGOADNJK-UHFFFAOYSA-N -2 0 359.429 2.544 20 0 FFADRL O=C([O-])CCCCCCNC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000833225250 601387072 /nfs/dbraw/zinc/38/70/72/601387072.db2.gz QQOLEDJMHTYVNC-UHFFFAOYSA-N -2 0 367.352 2.621 20 0 FFADRL CCn1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1C1CC1 ZINC000830445828 601388645 /nfs/dbraw/zinc/38/86/45/601388645.db2.gz SIGHBKKRHGSEHC-UHFFFAOYSA-N -2 0 369.830 2.933 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000831945076 601492314 /nfs/dbraw/zinc/49/23/14/601492314.db2.gz FOVKRSVAVMEONY-UHFFFAOYSA-N -2 0 364.404 2.804 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](CC(=O)[O-])C3CC3)n2)c1 ZINC000827129519 601563631 /nfs/dbraw/zinc/56/36/31/601563631.db2.gz PGWBSIJRVXRJPT-OAHLLOKOSA-N -2 0 357.410 2.684 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cnc1Cl ZINC000832898145 601576746 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ZINC000151465469 984291557 /nfs/dbraw/zinc/29/15/57/984291557.db2.gz AIYOKHDNVMICLK-UHFFFAOYSA-N -2 0 352.394 2.882 20 0 FFADRL O=P([O-])([O-])c1ccc(NC2(c3ccc(C(F)(F)F)cc3)COC2)cc1 ZINC001168378116 984329792 /nfs/dbraw/zinc/32/97/92/984329792.db2.gz TZGVMLJJKSPWQK-UHFFFAOYSA-N -2 0 373.267 2.846 20 0 FFADRL Cc1[nH]c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001599952846 985639287 /nfs/dbraw/zinc/63/92/87/985639287.db2.gz NPCRFHLRLPQFFT-AWEZNQCLSA-N -2 0 358.394 2.536 20 0 FFADRL CCOCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)cc1 ZINC001596965555 986172439 /nfs/dbraw/zinc/17/24/39/986172439.db2.gz JUKIBBGEKAOGCC-UHFFFAOYSA-N -2 0 365.407 2.731 20 0 FFADRL CCc1cc(C2CC2)nc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC001597471576 987936593 /nfs/dbraw/zinc/93/65/93/987936593.db2.gz VFGHMCHLUQKYTH-UHFFFAOYSA-N -2 0 361.423 2.557 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C(=O)[O-])cs2)s1 ZINC001597561863 988300536 /nfs/dbraw/zinc/30/05/36/988300536.db2.gz AJUYXEYASBLKMN-UHFFFAOYSA-N -2 0 360.482 2.930 20 0 FFADRL CCc1nc([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)sc1C(=O)[O-] ZINC001597685724 988841470 /nfs/dbraw/zinc/84/14/70/988841470.db2.gz ZDTYDHKUAMWBPB-SNVBAGLBSA-N -2 0 373.283 2.729 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OC)c(F)c1 ZINC001597785180 989301277 /nfs/dbraw/zinc/30/12/77/989301277.db2.gz BMGLMNUVOWJCKO-UHFFFAOYSA-N -2 0 361.322 2.628 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C ZINC001597786194 989309522 /nfs/dbraw/zinc/30/95/22/989309522.db2.gz YVGJQDDDLITMOW-UHFFFAOYSA-N -2 0 352.412 2.715 20 0 FFADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n[n-]1 ZINC001590363417 989823236 /nfs/dbraw/zinc/82/32/36/989823236.db2.gz YGJADQWOFVOQFL-UHFFFAOYSA-N -2 0 365.773 2.969 20 0 FFADRL CC(C)(CS(=O)(=O)[N-]c1ccccc1Oc1ccccn1)C(=O)[O-] ZINC001590812540 990647608 /nfs/dbraw/zinc/64/76/08/990647608.db2.gz ZMTRATDQKKEVSC-UHFFFAOYSA-N -2 0 350.396 2.726 20 0 FFADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001599736245 991779355 /nfs/dbraw/zinc/77/93/55/991779355.db2.gz QEMVBABJDHXRAK-UHFFFAOYSA-N -2 0 374.777 2.690 20 0 FFADRL CC(C)C[C@H](CNC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C(=O)[O-] ZINC001591150552 991891896 /nfs/dbraw/zinc/89/18/96/991891896.db2.gz FCZJDZKVJUNESP-TZMCWYRMSA-N -2 0 350.415 2.818 20 0 FFADRL C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593117853 993819680 /nfs/dbraw/zinc/81/96/80/993819680.db2.gz XIYXXTDWZJZNEO-TVYUQYBPSA-N -2 0 366.389 2.710 20 0 FFADRL CC1(C)CCC[C@@H](CS(=O)(=O)[N-]c2c(F)ccc(F)c2C(=O)[O-])O1 ZINC001593887546 996725664 /nfs/dbraw/zinc/72/56/64/996725664.db2.gz AFUKQQJFAUBEOO-VIFPVBQESA-N -2 0 363.382 2.752 20 0 FFADRL COC(=O)c1c(C)csc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001598912239 997391133 /nfs/dbraw/zinc/39/11/33/997391133.db2.gz QZCXNXXNGIQSAG-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])ccc1C ZINC001598955287 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1004159788 /nfs/dbraw/zinc/15/97/88/1004159788.db2.gz BPVYJXKYHDSSEB-UHFFFAOYSA-N -2 0 362.194 2.591 20 0 FFADRL Cc1nccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC001192400737 1004161538 /nfs/dbraw/zinc/16/15/38/1004161538.db2.gz GYEPLZOOIQYPSF-UHFFFAOYSA-N -2 0 362.194 2.591 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2ncccc2C2CC2)cc1C(=O)[O-] ZINC001192615879 1004217519 /nfs/dbraw/zinc/21/75/19/1004217519.db2.gz ZSJCVTLSBWPWLN-UHFFFAOYSA-N -2 0 362.407 2.857 20 0 FFADRL Cc1cccc2ccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)nc12 ZINC001192682683 1004236200 /nfs/dbraw/zinc/23/62/00/1004236200.db2.gz BCJLPTINGHRKHM-UHFFFAOYSA-N -2 0 372.402 2.807 20 0 FFADRL Cc1cc(F)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC001193981245 1004624241 /nfs/dbraw/zinc/62/42/41/1004624241.db2.gz OLTCQEJWFFOQOZ-UHFFFAOYSA-N -2 0 362.741 2.821 20 0 FFADRL O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc2[nH]c(=O)sc2c1 ZINC001198778629 1004736313 /nfs/dbraw/zinc/73/63/13/1004736313.db2.gz IQYBWWHMFYSHIP-UHFFFAOYSA-N -2 0 350.377 2.501 20 0 FFADRL O=S(=O)([N-]c1nc2c(cccc2O)s1)c1cccc2nccnc21 ZINC001194933805 1004858154 /nfs/dbraw/zinc/85/81/54/1004858154.db2.gz UFIYUSHSPJQNCQ-UHFFFAOYSA-N -2 0 358.404 2.746 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c(F)cc1F ZINC001195194047 1004914261 /nfs/dbraw/zinc/91/42/61/1004914261.db2.gz AAPNDNJARUKFOJ-UHFFFAOYSA-N -2 0 368.361 2.738 20 0 FFADRL Cn1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc2ccccc21 ZINC001195202210 1004915518 /nfs/dbraw/zinc/91/55/18/1004915518.db2.gz STLLKOBXOXANSP-UHFFFAOYSA-N -2 0 366.345 2.956 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC001187545062 1006135207 /nfs/dbraw/zinc/13/52/07/1006135207.db2.gz BAIBCHHTOAYTBS-UHFFFAOYSA-N -2 0 370.692 2.846 20 0 FFADRL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1nccs1 ZINC001187900016 1006293154 /nfs/dbraw/zinc/29/31/54/1006293154.db2.gz JLVSLZLHCDFGFY-UHFFFAOYSA-N -2 0 351.272 2.995 20 0 FFADRL Cc1cn2c(cccc2[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC001188272688 1006495083 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O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]c1ncc(F)cc1[O-] ZINC001260890673 1040871181 /nfs/dbraw/zinc/87/11/81/1040871181.db2.gz IMHIVOHLQYQXME-UHFFFAOYSA-N -2 0 350.293 2.887 20 0 FFADRL Cn1ccc2ccc(-c3noc(-c4cc(S(=O)(=O)[O-])ccc4[O-])n3)cc21 ZINC001215454158 1041789068 /nfs/dbraw/zinc/78/90/68/1041789068.db2.gz LXEOANPKXTVHFE-UHFFFAOYSA-N -2 0 371.374 2.848 20 0 FFADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3ncccc3C3CC3)no2)c1 ZINC001215456029 1041790159 /nfs/dbraw/zinc/79/01/59/1041790159.db2.gz JZXYEVQSXTZJOH-UHFFFAOYSA-N -2 0 359.363 2.628 20 0 FFADRL CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccc(C(=O)[O-])s1 ZINC001240849104 1044446329 /nfs/dbraw/zinc/44/63/29/1044446329.db2.gz LSANWYQEWZTIJC-UHFFFAOYSA-N -2 0 351.409 2.951 20 0 FFADRL COC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(OC)cc1OC ZINC001242162199 1044692843 /nfs/dbraw/zinc/69/28/43/1044692843.db2.gz BYRSCKPBBJKODM-UHFFFAOYSA-N -2 0 360.318 2.554 20 0 FFADRL CCOC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc2c1OCC2 ZINC001242163192 1044693207 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FFADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC000392230108 512923461 /nfs/dbraw/zinc/92/34/61/512923461.db2.gz PRQATKSRUJPUDA-UHFFFAOYSA-N -3 0 373.745 2.676 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1nc[nH]n1 ZINC000376793480 512989375 /nfs/dbraw/zinc/98/93/75/512989375.db2.gz GTWLAWRWRYQEQN-UHFFFAOYSA-N -2 0 372.406 2.533 20 0 FFADRL Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000451072033 513497832 /nfs/dbraw/zinc/49/78/32/513497832.db2.gz UVNRJHYFYSWNPH-UHFFFAOYSA-N -2 0 364.423 2.605 20 0 FFADRL CCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1C1CC1 ZINC000451095713 513515028 /nfs/dbraw/zinc/51/50/28/513515028.db2.gz UEPBVNPVWTYHNJ-UHFFFAOYSA-N -2 0 353.400 2.571 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC000425995107 513821515 /nfs/dbraw/zinc/82/15/15/513821515.db2.gz JWRKRPTVRCWABB-UHFFFAOYSA-N -2 0 351.405 2.766 20 0 FFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1 ZINC000436765230 513972880 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FFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC ZINC000484999033 514869510 /nfs/dbraw/zinc/86/95/10/514869510.db2.gz XJZNFAZHZATYIK-UHFFFAOYSA-N -2 0 365.407 2.983 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)c(C)c1 ZINC000462102385 514885677 /nfs/dbraw/zinc/88/56/77/514885677.db2.gz NFECWKHXCRLHDQ-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000485043824 514886796 /nfs/dbraw/zinc/88/67/96/514886796.db2.gz RXROMVTUUXJHNY-UHFFFAOYSA-N -2 0 353.371 2.571 20 0 FFADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476389513 515029700 /nfs/dbraw/zinc/02/97/00/515029700.db2.gz XTYVQHXUPPEIDN-UHFFFAOYSA-N -2 0 370.814 2.941 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cs1 ZINC000471968278 515072349 /nfs/dbraw/zinc/07/23/49/515072349.db2.gz FJVFNGNRQSQROZ-UHFFFAOYSA-N -2 0 351.764 2.745 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)ccc1C(=O)[O-] ZINC000509384938 515151882 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FFADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cn(CC)c(C)n2)cc1)C(=O)[O-] ZINC000463796764 515619248 /nfs/dbraw/zinc/61/92/48/515619248.db2.gz GGXUFZVNOUQLSH-CQSZACIVSA-N -2 0 365.455 2.666 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1OC(C)C ZINC000463804167 515622723 /nfs/dbraw/zinc/62/27/23/515622723.db2.gz ZJPLKUXYPMUFOV-UHFFFAOYSA-N -2 0 369.395 2.883 20 0 FFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000464831878 515978682 /nfs/dbraw/zinc/97/86/82/515978682.db2.gz BFUIWRZIMUWORP-UHFFFAOYSA-N -2 0 371.798 2.618 20 0 FFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1C(=O)[O-] ZINC000479271187 516134918 /nfs/dbraw/zinc/13/49/18/516134918.db2.gz PBKWYBAWWFJKND-UHFFFAOYSA-N -2 0 365.745 2.739 20 0 FFADRL CCc1ncc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)s1 ZINC000460769972 516244416 /nfs/dbraw/zinc/24/44/16/516244416.db2.gz PSMVVCYBRZGCMK-UHFFFAOYSA-N -2 0 351.409 2.686 20 0 FFADRL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000512775808 516354224 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FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C)c2)c(C(=O)[O-])c1 ZINC000523983490 516623627 /nfs/dbraw/zinc/62/36/27/516623627.db2.gz QUIWVQHGLDSQPB-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000547955056 516655078 /nfs/dbraw/zinc/65/50/78/516655078.db2.gz OMPBIIHPQMPFLI-UHFFFAOYSA-N -2 0 358.375 2.748 20 0 FFADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3O)c2n1 ZINC000548198017 516819952 /nfs/dbraw/zinc/81/99/52/516819952.db2.gz VVOVFQZCFHMLBF-UHFFFAOYSA-N -2 0 358.375 2.748 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000541306670 516977354 /nfs/dbraw/zinc/97/73/54/516977354.db2.gz PLDFEVUPXVCHRY-LBPRGKRZSA-N -2 0 363.439 2.970 20 0 FFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c1 ZINC000537197491 517083164 /nfs/dbraw/zinc/08/31/64/517083164.db2.gz JOSYRCSMDSFNKJ-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000537349584 517151654 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Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)nn1[C@H](C)C1CC1 ZINC000542233304 517451887 /nfs/dbraw/zinc/45/18/87/517451887.db2.gz KJFLLHXDALYNSO-SNVBAGLBSA-N -2 0 367.402 2.801 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000533689156 517571331 /nfs/dbraw/zinc/57/13/31/517571331.db2.gz DXHYWFPZTRIZKU-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL COc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)ccc1F ZINC000527301648 517624526 /nfs/dbraw/zinc/62/45/26/517624526.db2.gz LSTQFVFEZXGXDU-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000556799874 517666987 /nfs/dbraw/zinc/66/69/87/517666987.db2.gz PVCHXFLMDHLVKZ-UHFFFAOYSA-N -2 0 363.439 2.842 20 0 FFADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C(=O)[O-] ZINC000542731151 517707188 /nfs/dbraw/zinc/70/71/88/517707188.db2.gz DNYRCDVDAWYLDN-SECBINFHSA-N -3 0 369.420 2.510 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2scnc2C2CC2)ccc1OCC(=O)[O-] ZINC000534237722 517799961 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2.658 20 0 FFADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3Cl)cn21 ZINC000579930386 518923856 /nfs/dbraw/zinc/92/38/56/518923856.db2.gz DLXPAAPXMVARRY-VIFPVBQESA-N -2 0 369.830 2.933 20 0 FFADRL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000580316977 519115659 /nfs/dbraw/zinc/11/56/59/519115659.db2.gz IRIXCDVQSOFIMN-SSDOTTSWSA-N -2 0 371.352 2.801 20 0 FFADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000583204608 519128485 /nfs/dbraw/zinc/12/84/85/519128485.db2.gz MHIVTAAQRSHKNA-UHFFFAOYSA-N -2 0 354.359 2.807 20 0 FFADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1O ZINC000574748768 519312644 /nfs/dbraw/zinc/31/26/44/519312644.db2.gz YMNRDGOCVXPPIG-UHFFFAOYSA-N -2 0 369.782 2.747 20 0 FFADRL CC(C)(C)c1n[n-]c(=NCc2cccc(-n3ccc(C(=O)[O-])n3)c2)s1 ZINC000572163985 519475688 /nfs/dbraw/zinc/47/56/88/519475688.db2.gz JEMBBZGCCMWILV-UHFFFAOYSA-N -2 0 357.439 3.332 20 0 FFADRL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000614872837 521176994 /nfs/dbraw/zinc/17/69/94/521176994.db2.gz FGPZVMBOQMIDMP-UHFFFAOYSA-N -2 0 368.436 2.822 20 0 FFADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000819626486 597316131 /nfs/dbraw/zinc/31/61/31/597316131.db2.gz ZAGXSPZWTJMODJ-UHFFFAOYSA-N -2 0 357.334 2.716 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cccc1C(=O)[O-] ZINC000392096391 599868103 /nfs/dbraw/zinc/86/81/03/599868103.db2.gz IOAXTYJDPJVJNR-UHFFFAOYSA-N -3 0 369.782 2.846 20 0 FFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000740089606 599873827 /nfs/dbraw/zinc/87/38/27/599873827.db2.gz GKNPSSBEDGPDOT-UHFFFAOYSA-N -3 0 361.784 2.599 20 0 FFADRL CCc1ccc([C@@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1 ZINC000737260346 599989542 /nfs/dbraw/zinc/98/95/42/599989542.db2.gz IZVCJUYACUDCQK-KRWDZBQOSA-N -2 0 360.410 2.929 20 0 FFADRL O=C([O-])Cc1csc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)n1 ZINC000738633908 600054182 /nfs/dbraw/zinc/05/41/82/600054182.db2.gz WSFLTPNBPSAYJI-AATRIKPKSA-N -2 0 358.828 2.836 20 0 FFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)n1 ZINC000006550021 600178745 /nfs/dbraw/zinc/17/87/45/600178745.db2.gz KIOSSZKDHRBXDU-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000740140775 600244645 /nfs/dbraw/zinc/24/46/45/600244645.db2.gz NJWWSBNCVVZTIE-UHFFFAOYSA-N -2 0 351.771 2.715 20 0 FFADRL Cc1ccc(F)c([C@@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])c1 ZINC000736745717 600253935 /nfs/dbraw/zinc/25/39/35/600253935.db2.gz JZWOQTYBIMOCLA-INIZCTEOSA-N -2 0 364.373 2.814 20 0 FFADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000738332728 600461186 /nfs/dbraw/zinc/46/11/86/600461186.db2.gz OZYLAPHOXYFRDN-UHFFFAOYSA-N -2 0 370.471 2.535 20 0 FFADRL CC(C)c1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000736511728 600511058 /nfs/dbraw/zinc/51/10/58/600511058.db2.gz BQVFJNGZZJXBTG-ZDUSSCGKSA-N -2 0 355.456 2.614 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cc1C(=O)[O-] ZINC000738069886 600544290 /nfs/dbraw/zinc/54/42/90/600544290.db2.gz MVTONJIZJFROQL-UHFFFAOYSA-N -2 0 365.411 2.506 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)n2)cc1 ZINC000827113025 600704670 /nfs/dbraw/zinc/70/46/70/600704670.db2.gz UDKKVCWPXPJOAN-CQSZACIVSA-N -2 0 372.425 2.574 20 0 FFADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000826007773 600941036 /nfs/dbraw/zinc/94/10/36/600941036.db2.gz ADIXUKIDENSXGH-QMMMGPOBSA-N -2 0 373.839 2.708 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000831944886 601202780 /nfs/dbraw/zinc/20/27/80/601202780.db2.gz AJJHVZLDUOSRJV-UHFFFAOYSA-N -2 0 366.420 2.747 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000832774668 601232094 /nfs/dbraw/zinc/23/20/94/601232094.db2.gz WPGLJZANDLVQJC-UHFFFAOYSA-N -3 0 371.392 2.507 20 0 FFADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n[nH]1 ZINC000832974071 601241666 /nfs/dbraw/zinc/24/16/66/601241666.db2.gz KWTJXSSYAYCHEY-UHFFFAOYSA-N -2 0 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CC(C)(C)CC[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC001588652765 1080142239 /nfs/dbraw/zinc/14/22/39/1080142239.db2.gz FQOYBWKSAXOTGM-GFCCVEGCSA-N -2 0 363.389 2.726 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCC[C@H]3C(=O)[O-])n2)c1 ZINC001588969651 1080288079 /nfs/dbraw/zinc/28/80/79/1080288079.db2.gz QBBIEIRRDDFVOH-HNNXBMFYSA-N -2 0 357.410 2.781 20 0 FFADRL CC[C@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])C(=O)[O-] ZINC001589548977 1080599456 /nfs/dbraw/zinc/59/94/56/1080599456.db2.gz BSOWKAIGQSLTND-ZCFIWIBFSA-N -2 0 350.596 2.649 20 0 FFADRL CC(C)(C(=O)[O-])c1csc([N-]S(=O)(=O)Cc2ccc(F)cc2)n1 ZINC001589657310 1080655970 /nfs/dbraw/zinc/65/59/70/1080655970.db2.gz YZFICSBKBAYOBQ-UHFFFAOYSA-N -2 0 358.416 2.586 20 0 FFADRL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001589771697 1080727196 /nfs/dbraw/zinc/72/71/96/1080727196.db2.gz CQKUJFKLOJSSOT-UHFFFAOYSA-N -2 0 363.382 2.684 20 0 FFADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000065844585 506378223 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FFADRL Cc1ccc([N-]S(=O)(=O)c2cncc(Br)c2)cc1C(=O)[O-] ZINC000110988628 508063340 /nfs/dbraw/zinc/06/33/40/508063340.db2.gz LTEKLBBHVXUEOE-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1 ZINC000153198071 508558199 /nfs/dbraw/zinc/55/81/99/508558199.db2.gz WKORTOSBBVILJD-UHFFFAOYSA-N -2 0 363.420 2.566 20 0 FFADRL Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000146187905 508849744 /nfs/dbraw/zinc/84/97/44/508849744.db2.gz DHEHLUUOQCPLLS-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL CC(C)c1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000192154220 509377395 /nfs/dbraw/zinc/37/73/95/509377395.db2.gz YWDAYJJBFCEHDU-UHFFFAOYSA-N -2 0 374.422 2.823 20 0 FFADRL CCn1nc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1C1CC1 ZINC000267430645 509477764 /nfs/dbraw/zinc/47/77/64/509477764.db2.gz MRVQAXABVYLWCK-UHFFFAOYSA-N -2 0 355.441 2.649 20 0 FFADRL CCn1nc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C1CC1 ZINC000267487870 509512748 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CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000327340069 511874668 /nfs/dbraw/zinc/87/46/68/511874668.db2.gz DVJDIVZSGZGZFJ-UHFFFAOYSA-N -2 0 366.395 2.744 20 0 FFADRL CCCc1nc(=NC(=O)c2cc(F)cc(Br)c2[O-])s[n-]1 ZINC000439561439 513140920 /nfs/dbraw/zinc/14/09/20/513140920.db2.gz HWEPKZDPEYMUIP-UHFFFAOYSA-N -2 0 360.208 2.772 20 0 FFADRL C[C@H](CN(C)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1)C(=O)[O-] ZINC000417775041 513202102 /nfs/dbraw/zinc/20/21/02/513202102.db2.gz OAXZARDMIJEOHA-SECBINFHSA-N -2 0 360.395 3.136 20 0 FFADRL Cc1csc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)c1 ZINC000450970847 513431318 /nfs/dbraw/zinc/43/13/18/513431318.db2.gz NXBZLEWTPICTEO-UHFFFAOYSA-N -2 0 369.420 2.717 20 0 FFADRL Cc1ccc(Br)cc1-c1n[n-]c(=N[C@H](C)CC(=O)[O-])s1 ZINC000416428349 513767792 /nfs/dbraw/zinc/76/77/92/513767792.db2.gz UDRXQORKOXMUFX-MRVPVSSYSA-N -2 0 356.245 3.551 20 0 FFADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000430984199 513798391 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O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1 ZINC000485278856 514981457 /nfs/dbraw/zinc/98/14/57/514981457.db2.gz UYZMWHCXRMMPRP-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cn1 ZINC000476282686 514981477 /nfs/dbraw/zinc/98/14/77/514981477.db2.gz ZZJYQBSQJSUZFK-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1F ZINC000471973342 515072684 /nfs/dbraw/zinc/07/26/84/515072684.db2.gz PBTVNKZYLPNJHG-UHFFFAOYSA-N -2 0 352.318 2.945 20 0 FFADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2)oc1C ZINC000509591392 515248002 /nfs/dbraw/zinc/24/80/02/515248002.db2.gz QAWQQUMOHCAZID-UHFFFAOYSA-N -2 0 361.379 2.786 20 0 FFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000509611568 515255664 /nfs/dbraw/zinc/25/56/64/515255664.db2.gz RJYZPLYOLRWUTA-UHFFFAOYSA-N -2 0 361.297 2.926 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1CC(C)C ZINC000499290718 515271044 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369.782 2.876 20 0 FFADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000513818981 516768272 /nfs/dbraw/zinc/76/82/72/516768272.db2.gz NPOCUDLDAYFNFN-UHFFFAOYSA-N -2 0 363.391 2.589 20 0 FFADRL CC1(CS(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)CCCCC1 ZINC000548196570 516820459 /nfs/dbraw/zinc/82/04/59/516820459.db2.gz IPLIVNDIKURHMS-UHFFFAOYSA-N -2 0 355.412 2.795 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1C(=O)[O-] ZINC000548525213 517036136 /nfs/dbraw/zinc/03/61/36/517036136.db2.gz UMFXCQWPPRDBRJ-UHFFFAOYSA-N -3 0 373.745 2.676 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1cn[nH]c1 ZINC000525877839 517212664 /nfs/dbraw/zinc/21/26/64/517212664.db2.gz SNUMJJBPOVYUOR-UHFFFAOYSA-N -2 0 363.420 2.946 20 0 FFADRL Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1C(=O)[O-] ZINC000538091163 517461918 /nfs/dbraw/zinc/46/19/18/517461918.db2.gz ZMGZDXYBEABXIM-UHFFFAOYSA-N -2 0 365.798 2.726 20 0 FFADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000520679038 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FFADRL CCC(CC)c1n[n-]c(=NC(=O)N(CCC(=O)[O-])C2CCOCC2)s1 ZINC000519155218 562126160 /nfs/dbraw/zinc/12/61/60/562126160.db2.gz AXJKEZFUAWITPB-UHFFFAOYSA-N -2 0 370.475 2.929 20 0 FFADRL CCOCc1cccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000737178092 599815448 /nfs/dbraw/zinc/81/54/48/599815448.db2.gz OZEBQNOFEJPSKQ-UHFFFAOYSA-N -2 0 353.396 2.932 20 0 FFADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000739051869 599886495 /nfs/dbraw/zinc/88/64/95/599886495.db2.gz ZTADGZVPRBJBOG-UHFFFAOYSA-N -2 0 357.457 2.569 20 0 FFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1F ZINC000736548601 599953569 /nfs/dbraw/zinc/95/35/69/599953569.db2.gz MEHWCQVECUCOMK-SECBINFHSA-N -2 0 371.411 2.584 20 0 FFADRL CC1=C(C(=O)[O-])[C@H](c2cc(F)ccc2F)NC(=O)N1CCCCC(=O)[O-] ZINC000736744458 599988476 /nfs/dbraw/zinc/98/84/76/599988476.db2.gz AAQCFTZKVOIWJR-HNNXBMFYSA-N -2 0 368.336 2.645 20 0 FFADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737051635 600056167 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FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c1F ZINC000777655667 738310698 /nfs/dbraw/zinc/31/06/98/738310698.db2.gz HQSDBQHXSWYOBX-SNVBAGLBSA-N -2 0 367.402 2.801 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2CCO3)c1F ZINC000794607257 739910287 /nfs/dbraw/zinc/91/02/87/739910287.db2.gz IHHGWIKGXHFSHA-UHFFFAOYSA-N -2 0 351.355 2.568 20 0 FFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)cc1C(=O)[O-] ZINC000795380479 740013219 /nfs/dbraw/zinc/01/32/19/740013219.db2.gz LIRUGHJQVONOBF-SECBINFHSA-N -2 0 371.361 2.826 20 0 FFADRL C[C@@H](c1ccccc1)[C@@H](C[N-]C(=O)C(F)(F)F)[N-]C(=O)C(F)(F)F ZINC000849391650 749130023 /nfs/dbraw/zinc/13/00/23/749130023.db2.gz RZDGKDPZIHIHIR-WCBMZHEXSA-N -2 0 356.266 2.516 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)ccc1F ZINC000392018880 845850233 /nfs/dbraw/zinc/85/02/33/845850233.db2.gz XKWAXJYWDFLVQM-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000323733901 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ZINC001597760666 989181661 /nfs/dbraw/zinc/18/16/61/989181661.db2.gz HGALKNYZMQHSSL-UHFFFAOYSA-N -2 0 371.798 2.621 20 0 FFADRL CC(C)(C)Oc1cccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])c1 ZINC001590420538 989964940 /nfs/dbraw/zinc/96/49/40/989964940.db2.gz VHCHAVXSNVPFKM-UHFFFAOYSA-N -2 0 350.396 2.758 20 0 FFADRL CCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1C ZINC001597960843 989983751 /nfs/dbraw/zinc/98/37/51/989983751.db2.gz SXKSJGVMIBYLHM-UHFFFAOYSA-N -2 0 357.819 2.672 20 0 FFADRL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2c(F)ccc(F)c2C(=O)[O-])no1 ZINC001590463342 990037994 /nfs/dbraw/zinc/03/79/94/990037994.db2.gz JDDYPLYRLLHBTQ-UHFFFAOYSA-N -2 0 374.365 2.890 20 0 FFADRL CC(C)[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001591007064 991267147 /nfs/dbraw/zinc/26/71/47/991267147.db2.gz ASRGQBZKLZRTSO-QNBXZPKWSA-N -2 0 374.437 2.591 20 0 FFADRL CC(C)C[C@@H](C(=O)[O-])[S@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001591123329 991807467 /nfs/dbraw/zinc/80/74/67/991807467.db2.gz 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506429426 /nfs/dbraw/zinc/42/94/26/506429426.db2.gz OCASGABIWNEWLD-UHFFFAOYSA-N -2 0 372.196 2.654 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)sc1C(=O)[O-] ZINC000042793728 506668112 /nfs/dbraw/zinc/66/81/12/506668112.db2.gz BZCORMLSWUPIHW-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC ZINC000055584022 506788306 /nfs/dbraw/zinc/78/83/06/506788306.db2.gz VPCWSENXUCCODX-UHFFFAOYSA-N -2 0 353.371 2.896 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1 ZINC000012649228 506887674 /nfs/dbraw/zinc/88/76/74/506887674.db2.gz KXTHGCJXWUAWGP-UHFFFAOYSA-N -2 0 361.404 2.704 20 0 FFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000048382768 507513483 /nfs/dbraw/zinc/51/34/83/507513483.db2.gz KVUINTPLLAPLPX-UHFFFAOYSA-N -2 0 365.407 2.519 20 0 FFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000070775404 507636008 /nfs/dbraw/zinc/63/60/08/507636008.db2.gz KSGJAOPGNBYKMF-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000070775400 507636438 /nfs/dbraw/zinc/63/64/38/507636438.db2.gz OQYPVUVOXATTEA-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000152590433 508475164 /nfs/dbraw/zinc/47/51/64/508475164.db2.gz ADTFXKKGEMQTRK-UHFFFAOYSA-N -2 0 371.418 2.609 20 0 FFADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000319654927 511811208 /nfs/dbraw/zinc/81/12/08/511811208.db2.gz DWQIXCLATRQQOS-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000321150825 511818618 /nfs/dbraw/zinc/81/86/18/511818618.db2.gz GAJPTYHZSGAVMR-RKDXNWHRSA-N -2 0 353.362 2.662 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000323967805 511833228 /nfs/dbraw/zinc/83/32/28/511833228.db2.gz BNEGHCVZAGLOCY-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000325846370 511851481 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Cc1ccsc1-c1nc(=NC(=O)NC2CCC(C(=O)[O-])CC2)s[n-]1 ZINC000417782453 513205954 /nfs/dbraw/zinc/20/59/54/513205954.db2.gz GENSVDRKAJVFKE-UHFFFAOYSA-N -2 0 366.468 2.762 20 0 FFADRL O=C([O-])c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)nn1-c1ccccc1 ZINC000436062233 513749592 /nfs/dbraw/zinc/74/95/92/513749592.db2.gz VMEIRNSQFLCHAF-UHFFFAOYSA-N -2 0 369.308 2.660 20 0 FFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)ccc1F ZINC000430982379 513799492 /nfs/dbraw/zinc/79/94/92/513799492.db2.gz QJHKEUWRRROBBZ-UHFFFAOYSA-N -2 0 367.251 2.881 20 0 FFADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000436601885 513914867 /nfs/dbraw/zinc/91/48/67/513914867.db2.gz DBESMZFNNFDDDV-UHFFFAOYSA-N -2 0 363.391 2.792 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c(C)c1 ZINC000436690126 513946203 /nfs/dbraw/zinc/94/62/03/513946203.db2.gz YEBNRPRUZUHHGU-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000436782129 513976761 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FFADRL CCOc1cc([N-]S(=O)(=O)c2ccco2)c(C(=O)[O-])cc1OCC ZINC000479187337 516097446 /nfs/dbraw/zinc/09/74/46/516097446.db2.gz NZBXVXXMVZESIZ-UHFFFAOYSA-N -2 0 355.368 2.576 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1C(=O)[O-] ZINC000479190316 516099028 /nfs/dbraw/zinc/09/90/28/516099028.db2.gz VYGIZAGHAFJGQS-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000479239574 516122939 /nfs/dbraw/zinc/12/29/39/516122939.db2.gz GBHXVGRAIJFWNT-UHFFFAOYSA-N -2 0 357.819 2.925 20 0 FFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1C(=O)[O-] ZINC000479262408 516130428 /nfs/dbraw/zinc/13/04/28/516130428.db2.gz VEUQEUNLQZMKSN-UHFFFAOYSA-N -2 0 369.782 2.876 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000460840912 516263690 /nfs/dbraw/zinc/26/36/90/516263690.db2.gz PUYUPWHQYQGFTJ-UHFFFAOYSA-N -2 0 361.297 2.926 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])o1 ZINC000543660519 516351787 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FFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(F)c1 ZINC000737890431 602644896 /nfs/dbraw/zinc/64/48/96/602644896.db2.gz ZAEOKYYJMGCPPA-UHFFFAOYSA-N -2 0 358.322 2.864 20 0 FFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000739923830 602652295 /nfs/dbraw/zinc/65/22/95/602652295.db2.gz LTNHWIGNZWHMQF-UHFFFAOYSA-N -2 0 364.379 2.616 20 0 FFADRL CN(Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1)C(=O)[O-] ZINC000739713527 602655153 /nfs/dbraw/zinc/65/51/53/602655153.db2.gz OXUUCNKCQWZVHP-UHFFFAOYSA-N -2 0 356.350 2.875 20 0 FFADRL CN(C[C@H]1CCCN(C(=O)c2cccc(Br)c2[O-])C1)C(=O)[O-] ZINC000739638453 602684964 /nfs/dbraw/zinc/68/49/64/602684964.db2.gz QACMFGCIGKXZSC-SNVBAGLBSA-N -2 0 371.231 2.617 20 0 FFADRL O=C([O-])NCc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000740680415 603152593 /nfs/dbraw/zinc/15/25/93/603152593.db2.gz QYEFEZGMKYCRGN-UHFFFAOYSA-N -2 0 357.391 2.803 20 0 FFADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1NC(=O)[O-] ZINC000828741299 603817669 /nfs/dbraw/zinc/81/76/69/603817669.db2.gz ZXOCFBGVHGXKHK-UHFFFAOYSA-N -2 0 368.342 2.503 20 0 FFADRL O=C([O-])N[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000832136310 603853113 /nfs/dbraw/zinc/85/31/13/603853113.db2.gz RZXGQNOVXHHEOH-ZDUSSCGKSA-N -2 0 357.391 2.855 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cn1 ZINC000164616324 604401877 /nfs/dbraw/zinc/40/18/77/604401877.db2.gz XHUHQKRCHKHNMW-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000829655475 604427490 /nfs/dbraw/zinc/42/74/90/604427490.db2.gz XBBRQPRFUFOZIC-UHFFFAOYSA-N -2 0 368.436 2.988 20 0 FFADRL CN(C(=O)c1ccc(Br)c([O-])c1)c1nc(CC(=O)[O-])cs1 ZINC000833686504 605047095 /nfs/dbraw/zinc/04/70/95/605047095.db2.gz YBPFVWVGLJVIRX-UHFFFAOYSA-N -2 0 371.212 2.515 20 0 FFADRL CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n[nH]1 ZINC000833491490 605134353 /nfs/dbraw/zinc/13/43/53/605134353.db2.gz YDLAEXJVLQIOTG-UHFFFAOYSA-N -2 0 363.439 2.525 20 0 FFADRL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000832234571 605146942 /nfs/dbraw/zinc/14/69/42/605146942.db2.gz CXNMKWVMIGCUKN-YOGCLGLASA-N -2 0 361.423 2.910 20 0 FFADRL Cc1cc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)ccc1NC(=O)[O-] ZINC000829961179 605344421 /nfs/dbraw/zinc/34/44/21/605344421.db2.gz AXZHBXDVIJYVBB-MDZDMXLPSA-N -2 0 360.391 2.815 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1noc(-c2cccs2)n1 ZINC000833747661 605490089 /nfs/dbraw/zinc/49/00/89/605490089.db2.gz CXNMVWVOVRUNFJ-UHFFFAOYSA-N -2 0 365.392 2.606 20 0 FFADRL CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833688600 605529643 /nfs/dbraw/zinc/52/96/43/605529643.db2.gz TYLHVLNPPDEPRQ-QGZVFWFLSA-N -2 0 369.352 2.615 20 0 FFADRL O=C([O-])COc1ccc(NC(=O)C[C@@H]2CCCN2C(=O)[O-])c2ccccc12 ZINC000834064908 606054551 /nfs/dbraw/zinc/05/45/51/606054551.db2.gz FXNXLLCBQZJJHI-LBPRGKRZSA-N -2 0 372.377 2.774 20 0 FFADRL O=C([O-])C[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccc(Cl)cc1 ZINC000834064746 606068064 /nfs/dbraw/zinc/06/80/64/606068064.db2.gz FWQJIMDBRBEFCK-OLZOCXBDSA-N -2 0 354.790 2.505 20 0 FFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000067124885 728180374 /nfs/dbraw/zinc/18/03/74/728180374.db2.gz ZNZVMTRQOKPNQJ-UHFFFAOYSA-N -2 0 364.210 2.534 20 0 FFADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000134618788 728731489 /nfs/dbraw/zinc/73/14/89/728731489.db2.gz LNZSIUAMTBJNJG-UHFFFAOYSA-N -2 0 359.407 2.771 20 0 FFADRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000326030666 729759900 /nfs/dbraw/zinc/75/99/00/729759900.db2.gz TVDLZRDDULNGLJ-UHFFFAOYSA-N -2 0 366.782 2.719 20 0 FFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000326820671 729791053 /nfs/dbraw/zinc/79/10/53/729791053.db2.gz ICKDXWIDGGAFCI-UHFFFAOYSA-N -2 0 368.342 2.850 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1C(=O)[O-] ZINC000392745214 729839046 /nfs/dbraw/zinc/83/90/46/729839046.db2.gz YPGABVXQRQTORA-UHFFFAOYSA-N -2 0 359.407 2.798 20 0 FFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1C(=O)[O-] ZINC000481589167 729911962 /nfs/dbraw/zinc/91/19/62/729911962.db2.gz YBJOTOLNLPXCEV-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL COC1(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC000650192894 730968404 /nfs/dbraw/zinc/96/84/04/730968404.db2.gz LWGNIRCUXPHRHZ-UHFFFAOYSA-N -2 0 370.254 2.636 20 0 FFADRL Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)C(F)(F)F)o1 ZINC000656179923 731554026 /nfs/dbraw/zinc/55/40/26/731554026.db2.gz CKWDKQMKFSZERI-LLVKDONJSA-N -2 0 367.301 2.770 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000663262742 732405763 /nfs/dbraw/zinc/40/57/63/732405763.db2.gz XCQQIWBVRSYEBX-CYBMUJFWSA-N -2 0 373.333 2.873 20 0 FFADRL Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C(F)(F)F)o1 ZINC000663427104 732437305 /nfs/dbraw/zinc/43/73/05/732437305.db2.gz GRUUVVLRNWMWOX-NSHDSACASA-N -2 0 367.301 2.770 20 0 FFADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749141213 735697324 /nfs/dbraw/zinc/69/73/24/735697324.db2.gz GGDKYPFXBACMQE-UHFFFAOYSA-N -2 0 351.355 2.836 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c(C)c1O ZINC000749143961 735697825 /nfs/dbraw/zinc/69/78/25/735697825.db2.gz XLCAKGZIBGEYHY-UHFFFAOYSA-N -2 0 353.371 2.956 20 0 FFADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000761954581 736776722 /nfs/dbraw/zinc/77/67/22/736776722.db2.gz SWIWNMGKUJKDMR-UHFFFAOYSA-N -2 0 374.777 2.528 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c2n[nH]cc21 ZINC000763281036 736922394 /nfs/dbraw/zinc/92/23/94/736922394.db2.gz WCHDYCNCHGATEZ-UHFFFAOYSA-N -2 0 363.370 2.818 20 0 FFADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000910185266 737037554 /nfs/dbraw/zinc/03/75/54/737037554.db2.gz WCIUPAKBWVFHGC-ADPBJBESSA-N -2 0 365.348 2.522 20 0 FFADRL CSc1ccc(CCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910185491 737037698 /nfs/dbraw/zinc/03/76/98/737037698.db2.gz WKDOESKDMQJDMM-ZFWWWQNUSA-N -2 0 365.451 2.508 20 0 FFADRL CCCc1ccc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c(C(=O)[O-])c1 ZINC000769829529 737571482 /nfs/dbraw/zinc/57/14/82/737571482.db2.gz UGHLTXZHFILOON-UHFFFAOYSA-N -2 0 357.819 2.525 20 0 FFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1C(=O)[O-] ZINC000790394259 739447031 /nfs/dbraw/zinc/44/70/31/739447031.db2.gz OKVRDYWGLJZKJY-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000811713526 741551581 /nfs/dbraw/zinc/55/15/81/741551581.db2.gz AOFBNFDSKGXFII-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1[N+](=O)[O-] ZINC000325677639 971234963 /nfs/dbraw/zinc/23/49/63/971234963.db2.gz PZHNSLKLZLMJSW-UHFFFAOYSA-N -2 0 354.315 2.541 20 0 FFADRL CCOc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1OC ZINC000326692511 971317390 /nfs/dbraw/zinc/31/73/90/971317390.db2.gz RSFPIHXAWUQNFV-UHFFFAOYSA-N -2 0 369.395 2.803 20 0 FFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1C(=O)[O-] ZINC000326981456 971353577 /nfs/dbraw/zinc/35/35/77/971353577.db2.gz KCTZWLGTLYMIFW-UHFFFAOYSA-N -2 0 364.423 2.996 20 0 FFADRL O=Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)c([O-])c2)o1 ZINC001595295456 950122233 /nfs/dbraw/zinc/12/22/33/950122233.db2.gz MLVCNYIZLWKADX-JKSUJKDBSA-N -2 0 369.373 2.648 20 0 FFADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC001595066680 951556639 /nfs/dbraw/zinc/55/66/39/951556639.db2.gz UUOHFDIQLADZFC-UHFFFAOYSA-N -2 0 374.340 2.918 20 0 FFADRL O=C([O-])C1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCSCC1 ZINC001594867121 954318983 /nfs/dbraw/zinc/31/89/83/954318983.db2.gz JBFVEAPZZJDUAI-UHFFFAOYSA-N -2 0 363.357 2.851 20 0 FFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000392142499 972414903 /nfs/dbraw/zinc/41/49/03/972414903.db2.gz FRRKBRBDDHTMBL-UHFFFAOYSA-N -3 0 373.770 2.747 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)ccc1C#N ZINC000392592936 972500935 /nfs/dbraw/zinc/50/09/35/972500935.db2.gz RYIUNCIYAPIZKL-UHFFFAOYSA-N -2 0 365.436 2.531 20 0 FFADRL C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900002 961643511 /nfs/dbraw/zinc/64/35/11/961643511.db2.gz MWHNZNNWESAMBI-SNIKSBKOSA-N -2 0 368.474 2.556 20 0 FFADRL O=C([O-])c1cc(Nc2nc3cccc(C(F)(F)F)n3n2)cc(C(=O)[O-])c1 ZINC001176238196 1013656233 /nfs/dbraw/zinc/65/62/33/1013656233.db2.gz OXWFBLIVPSZTSW-UHFFFAOYSA-N -2 0 366.255 2.888 20 0 FFADRL O=C([O-])c1cc(Nc2cc(Br)c[nH]c2=O)cc(C(=O)[O-])c1 ZINC001176239236 1013657250 /nfs/dbraw/zinc/65/72/50/1013657250.db2.gz OZFWJQJGOXJJCS-UHFFFAOYSA-N -2 0 353.128 2.690 20 0 FFADRL CCOC(=O)c1c([N-]c2cnn(CC(=O)[O-])c2)onc1-c1ccccc1 ZINC001176270205 1013675326 /nfs/dbraw/zinc/67/53/26/1013675326.db2.gz YFLYCQHOKLFNCB-UHFFFAOYSA-N -2 0 356.338 2.543 20 0 FFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC(=O)[O-])CC(C)(C)C)n1 ZINC000659782257 970185757 /nfs/dbraw/zinc/18/57/57/970185757.db2.gz OSBPZIXMNBPACN-UHFFFAOYSA-N -2 0 363.389 2.598 20 0 FFADRL C[C@@](NC(=O)c1cc(Br)ccc1O)(C(=O)[O-])c1ccccc1 ZINC000318851705 970480443 /nfs/dbraw/zinc/48/04/43/970480443.db2.gz CZFSKQALVVJAES-INIZCTEOSA-N -2 0 364.195 2.885 20 0 FFADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663026108 974858525 /nfs/dbraw/zinc/85/85/25/974858525.db2.gz NUVXKRASNZBROC-CQDKDKBSSA-N -2 0 373.384 2.575 20 0 FFADRL CC(C)Oc1c(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cccc1C(=O)[O-] ZINC001591744460 975769329 /nfs/dbraw/zinc/76/93/29/975769329.db2.gz MORUYTYYURTVDK-GFCCVEGCSA-N -2 0 364.398 2.891 20 0 FFADRL CC(C)c1cc(N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)nc(C(C)C)n1 ZINC001591934793 976445528 /nfs/dbraw/zinc/44/55/28/976445528.db2.gz FYRBTVJBPMEZLX-FWHMADFJSA-N -2 0 361.442 2.725 20 0 FFADRL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1Cl ZINC001591943591 976480583 /nfs/dbraw/zinc/48/05/83/976480583.db2.gz XFXQVXFVKJGVPY-ZJUUUORDSA-N -2 0 361.847 2.632 20 0 FFADRL CC(C)c1ncc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC001592037707 976758391 /nfs/dbraw/zinc/75/83/91/976758391.db2.gz YYPRFELMEWRQAF-UHFFFAOYSA-N -2 0 361.423 2.517 20 0 FFADRL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001595057152 979296288 /nfs/dbraw/zinc/29/62/88/979296288.db2.gz XMDLKEUURYZNFN-UHFFFAOYSA-N -2 0 355.790 2.930 20 0 FFADRL C[C@](Cc1ccc(F)cc1)(NC(=O)c1cc(F)c(F)c([O-])c1F)C(=O)[O-] ZINC001592846381 979618275 /nfs/dbraw/zinc/61/82/75/979618275.db2.gz KXSLKRJKNNHABG-QGZVFWFLSA-N -2 0 371.286 2.764 20 0 FFADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000910181598 981846947 /nfs/dbraw/zinc/84/69/47/981846947.db2.gz CMBIUJHFOIIVQS-GAFUQQFSSA-N -2 0 373.327 2.585 20 0 FFADRL C[C@H](c1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000910183543 981847344 /nfs/dbraw/zinc/84/73/44/981847344.db2.gz MHBHZLMBWUNAKE-WQAKAFBOSA-N -2 0 373.327 2.742 20 0 FFADRL CCCC[C@H](NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(=O)[O-] ZINC001595641501 981968046 /nfs/dbraw/zinc/96/80/46/981968046.db2.gz ZSARRMAFJQRHAL-JTQLQIEISA-N -2 0 371.436 2.521 20 0 FFADRL CC[C@@](C)(CC(=O)[O-])NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001594823689 981978088 /nfs/dbraw/zinc/97/80/88/981978088.db2.gz KUPHPKBBYVXTKB-INIZCTEOSA-N -2 0 351.790 2.605 20 0 FFADRL CCCC[C@H](OC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C(=O)[O-] ZINC001595651621 982024352 /nfs/dbraw/zinc/02/43/52/982024352.db2.gz INBBBALAZLWYAM-ZDUSSCGKSA-N -2 0 354.309 2.656 20 0 FFADRL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC)cc1 ZINC001595965193 983165323 /nfs/dbraw/zinc/16/53/23/983165323.db2.gz GQIMGCXPHASCPF-UHFFFAOYSA-N -2 0 365.407 2.983 20 0 FFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001596386968 983914636 /nfs/dbraw/zinc/91/46/36/983914636.db2.gz JZAUMWZGXAJFQJ-UHFFFAOYSA-N -2 0 363.391 2.607 20 0 FFADRL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC001599937933 985419408 /nfs/dbraw/zinc/41/94/08/985419408.db2.gz QQHKGWKLFFSCEX-APWZRJJASA-N -2 0 373.430 2.525 20 0 FFADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(COC)c2)s1 ZINC001597445606 987818106 /nfs/dbraw/zinc/81/81/06/987818106.db2.gz PXBDZYJOVUWFSM-UHFFFAOYSA-N -2 0 355.437 2.956 20 0 FFADRL CSc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1C(=O)[O-] ZINC001599816369 988432289 /nfs/dbraw/zinc/43/22/89/988432289.db2.gz FHTSWUKUPHFMKZ-ONGXEEELSA-N -2 0 352.412 2.681 20 0 FFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)n1 ZINC001597604597 988482606 /nfs/dbraw/zinc/48/26/06/988482606.db2.gz QREXTMXGGXURSB-OCCSQVGLSA-N -2 0 357.410 2.514 20 0 FFADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc([C@H](C)C(=O)[O-])cc1 ZINC001597717510 988985953 /nfs/dbraw/zinc/98/59/53/988985953.db2.gz DDONYFIMHVYRRL-NSHDSACASA-N -2 0 365.455 2.534 20 0 FFADRL COc1ncc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)[O-])cc2)cc1Cl ZINC001599735481 991767793 /nfs/dbraw/zinc/76/77/93/991767793.db2.gz WOZFZBZLHRISTM-VIFPVBQESA-N -2 0 370.814 2.733 20 0 FFADRL CC(C)Cn1[n-]c(CC(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])cc1=O ZINC001591505911 992651071 /nfs/dbraw/zinc/65/10/71/992651071.db2.gz MNKGFLLRCQYYGJ-UHFFFAOYSA-N -2 0 369.780 2.504 20 0 FFADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1C1CC1 ZINC001591533863 992712941 /nfs/dbraw/zinc/71/29/41/992712941.db2.gz OOFPVCCBDFVBAY-UHFFFAOYSA-N -2 0 363.439 2.916 20 0 FFADRL C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001593698226 996162424 /nfs/dbraw/zinc/16/24/24/996162424.db2.gz CEFLICWJIAHKIF-SSDOTTSWSA-N -2 0 364.301 2.541 20 0 FFADRL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC)cc1C ZINC001599393463 997081068 /nfs/dbraw/zinc/08/10/68/997081068.db2.gz MDWNTIKZJURXMQ-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL COCc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC001599295257 997128889 /nfs/dbraw/zinc/12/88/89/997128889.db2.gz RBLCTTHJWFUZBU-UHFFFAOYSA-N -2 0 368.436 2.666 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(F)F)c(C)c1 ZINC001599503545 997171105 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FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1C(F)(F)F ZINC001185877615 1003113115 /nfs/dbraw/zinc/11/31/15/1003113115.db2.gz PTJCDAWDSUPXJA-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc1[S-] ZINC001185918261 1003132623 /nfs/dbraw/zinc/13/26/23/1003132623.db2.gz OZMGOUISSKIWBS-UHFFFAOYSA-N -2 0 353.421 2.791 20 0 FFADRL Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186151103 1003199702 /nfs/dbraw/zinc/19/97/02/1003199702.db2.gz UKJOVUJBEURBMD-UHFFFAOYSA-N -2 0 367.402 2.630 20 0 FFADRL O=S(=O)([N-]c1ccc2onc([O-])c2c1)c1c(Cl)nc2sccn21 ZINC001187140015 1003582547 /nfs/dbraw/zinc/58/25/47/1003582547.db2.gz LYNASWFKQDTMCI-UHFFFAOYSA-N -2 0 370.799 2.697 20 0 FFADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cncnc3)cc2)c1 ZINC001196060788 1003645437 /nfs/dbraw/zinc/64/54/37/1003645437.db2.gz PFYNPZWJQBWLQA-UHFFFAOYSA-N -2 0 355.375 2.643 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2csc3nccnc23)cc1 ZINC001192109686 1004055708 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O=C([O-])c1ccccc1S(=O)(=O)[N-]c1nc(C(F)(F)F)cs1 ZINC001198739738 1004717816 /nfs/dbraw/zinc/71/78/16/1004717816.db2.gz YAFNNWMRHHJNAS-UHFFFAOYSA-N -2 0 352.315 2.661 20 0 FFADRL COc1ccc2cccnc2c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198790362 1004729135 /nfs/dbraw/zinc/72/91/35/1004729135.db2.gz UHQBWKOJZWXTQR-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL O=C([O-])c1ccccc1S(=O)(=O)Nc1c2nsnc2ccc1Cl ZINC001198779592 1004736707 /nfs/dbraw/zinc/73/67/07/1004736707.db2.gz SBIALAPCPCNNCG-UHFFFAOYSA-N -2 0 369.811 2.844 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2scnc2C2CC2)c(F)cc1F ZINC001195204867 1004916262 /nfs/dbraw/zinc/91/62/62/1004916262.db2.gz DLOUVZZKWFFNDK-UHFFFAOYSA-N -2 0 360.363 2.798 20 0 FFADRL Cc1cccc2ncc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)n21 ZINC001187552762 1006140542 /nfs/dbraw/zinc/14/05/42/1006140542.db2.gz AJGKCAKCQDFSLG-UHFFFAOYSA-N -2 0 365.798 2.795 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3oncc3c2)c1 ZINC001187581029 1006162140 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IXZTXAJNHHNVII-DVVUODLYSA-N -2 0 363.357 2.544 20 0 FFADRL C[C@@H](O)CC(=O)Oc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccccc1 ZINC001229772308 1036884761 /nfs/dbraw/zinc/88/47/61/1036884761.db2.gz ZXSQEPLKXDWZEN-SNVBAGLBSA-N -2 0 356.330 2.548 20 0 FFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001256928644 1038659318 /nfs/dbraw/zinc/65/93/18/1038659318.db2.gz ABLJFWHKJBDMPR-UHFFFAOYSA-N -2 0 361.828 2.696 20 0 FFADRL O=S(=O)([O-])c1ccc([O-])c(-c2nnc(-c3ccc4c(c3)CCC4)o2)c1 ZINC001258174894 1039248182 /nfs/dbraw/zinc/24/81/82/1039248182.db2.gz INJMAVQZAUXHRZ-UHFFFAOYSA-N -2 0 358.375 2.845 20 0 FFADRL Cc1ccc(CO)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259220485 1039812622 /nfs/dbraw/zinc/81/26/22/1039812622.db2.gz ARDQZEUTBBPZSI-UHFFFAOYSA-N -2 0 373.789 2.779 20 0 FFADRL Cc1cnn(-c2cccc(C)c2)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184431 1040445072 /nfs/dbraw/zinc/44/50/72/1040445072.db2.gz LBDXLBOCSOHVJB-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c1 ZINC001260208851 1040465062 /nfs/dbraw/zinc/46/50/62/1040465062.db2.gz BAUZOGNWWDFBJV-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL CCOc1nccnc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868738 1040858307 /nfs/dbraw/zinc/85/83/07/1040858307.db2.gz HKDNBBFFIBSYQF-UHFFFAOYSA-N -2 0 364.210 2.689 20 0 FFADRL CCOC(=O)c1cnc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)[nH]cc1-2 ZINC001242160971 1044691694 /nfs/dbraw/zinc/69/16/94/1044691694.db2.gz RVLNVRNQRAQOID-UHFFFAOYSA-N -2 0 354.318 2.803 20 0 FFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc(OCc3ccncc3)cn2)c1 ZINC001242163756 1044693198 /nfs/dbraw/zinc/69/31/98/1044693198.db2.gz JSMBZBZTPXIBMR-UHFFFAOYSA-N -2 0 351.318 2.514 20 0 FFADRL COc1cc(CN2CCOCC2)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163676 1044693235 /nfs/dbraw/zinc/69/32/35/1044693235.db2.gz FXWPXRGBZMICGY-UHFFFAOYSA-N -2 0 371.389 2.591 20 0 FFADRL O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC001332149203 1048267897 /nfs/dbraw/zinc/26/78/97/1048267897.db2.gz MBAITOAVKVNGJG-BDAKNGLRSA-N -2 0 351.708 2.771 20 0 FFADRL CCC(=O)c1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC001453432961 1059370679 /nfs/dbraw/zinc/37/06/79/1059370679.db2.gz QMNJKLFRGDCJKK-UHFFFAOYSA-N -2 0 352.350 2.589 20 0 FFADRL O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)c2ccccc21 ZINC001574557729 1078017584 /nfs/dbraw/zinc/01/75/84/1078017584.db2.gz LAVSJQXPFKUPAU-BXKDBHETSA-N -2 0 351.280 2.853 20 0 FFADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)cc1 ZINC001589643035 1080647324 /nfs/dbraw/zinc/64/73/24/1080647324.db2.gz GDLRRBWMVZVTGN-UHFFFAOYSA-N -2 0 354.815 2.898 20 0 FFADRL CC(C)(C(=O)[O-])c1csc([N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC001589656901 1080654650 /nfs/dbraw/zinc/65/46/50/1080654650.db2.gz DEHCAVQCOHBPFB-UHFFFAOYSA-N -2 0 362.379 2.584 20 0 FFADRL C[C@@H](SCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)c1ccc(F)cc1 ZINC001590033654 1080959729 /nfs/dbraw/zinc/95/97/29/1080959729.db2.gz 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O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000145528970 508845391 /nfs/dbraw/zinc/84/53/91/508845391.db2.gz VHZWLQDIKHIVJX-UHFFFAOYSA-N -2 0 356.743 2.747 20 0 FFADRL Cc1ccc(-n2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cn2)c(C)c1 ZINC000191898179 509236061 /nfs/dbraw/zinc/23/60/61/509236061.db2.gz UOFADVKWOZQUEJ-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000181785733 510591657 /nfs/dbraw/zinc/59/16/57/510591657.db2.gz XFNCKBNWTOLILW-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000178804929 510782953 /nfs/dbraw/zinc/78/29/53/510782953.db2.gz MYGMXZBIEGRZNN-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000323349266 511829863 /nfs/dbraw/zinc/82/98/63/511829863.db2.gz SASBBCHETGDFEP-UHFFFAOYSA-N -2 0 355.755 2.568 20 0 FFADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000324504952 511837658 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FFADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000682894983 734107469 /nfs/dbraw/zinc/10/74/69/734107469.db2.gz SSOVVNLMUJYDRC-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1F ZINC000749143717 735697926 /nfs/dbraw/zinc/69/79/26/735697926.db2.gz UZSDEIIYCNWUAO-UHFFFAOYSA-N -2 0 361.354 2.576 20 0 FFADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000758169523 736458289 /nfs/dbraw/zinc/45/82/89/736458289.db2.gz GVVPWVSVAIQBSJ-UHFFFAOYSA-N -2 0 365.745 2.808 20 0 FFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1O ZINC000762455914 736825159 /nfs/dbraw/zinc/82/51/59/736825159.db2.gz MZBRSZVBYOJWGQ-UHFFFAOYSA-N -2 0 353.371 2.956 20 0 FFADRL CCO[C@@H]1C[C@@](NC(=O)c2cc(F)c([O-])c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000909604900 736953789 /nfs/dbraw/zinc/95/37/89/736953789.db2.gz VCNYFDSIZRUZBM-BDJLRTHQSA-N -2 0 359.781 2.573 20 0 FFADRL CSc1ccc(CCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910185488 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RHVCFKPJAJBLJR-UHFFFAOYSA-N -2 0 354.359 2.507 20 0 FFADRL C[C@H](NC(=O)N=c1nc(-c2ccccc2)[n-]s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653535750 1014368463 /nfs/dbraw/zinc/36/84/63/1014368463.db2.gz CBEMYKFNCHMHHW-WCFLWFBJSA-N -2 0 374.466 2.884 20 0 FFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1ccco1 ZINC001592258494 977496844 /nfs/dbraw/zinc/49/68/44/977496844.db2.gz IJSNGLBHPIIIJR-VIFPVBQESA-N -2 0 371.798 2.630 20 0 FFADRL CC[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595041594 979226662 /nfs/dbraw/zinc/22/66/62/979226662.db2.gz BOGUHGYYLSMTRC-SSDOTTSWSA-N -2 0 369.773 2.525 20 0 FFADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001595780611 982551177 /nfs/dbraw/zinc/55/11/77/982551177.db2.gz IQEVZLVAZNZMQB-UHFFFAOYSA-N -2 0 359.444 2.727 20 0 FFADRL CCCCc1cnc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])nc1 ZINC001595797672 982608312 /nfs/dbraw/zinc/60/83/12/982608312.db2.gz SKQFXRMXRZOJMZ-UHFFFAOYSA-N -2 0 353.400 2.528 20 0 FFADRL CCCOc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001595975466 983211364 /nfs/dbraw/zinc/21/13/64/983211364.db2.gz HCQKVQNZPNCPBI-UHFFFAOYSA-N -2 0 372.349 2.648 20 0 FFADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)Cc1ccsc1Cl ZINC001599961175 985784189 /nfs/dbraw/zinc/78/41/89/985784189.db2.gz QRVKTTJDYGIKCG-UHFFFAOYSA-N -2 0 361.828 2.534 20 0 FFADRL CCOc1cc(CC(=O)[O-])c(-c2cc(C(=O)[O-])ccc2CO)cc1OCC ZINC000517042053 986276517 /nfs/dbraw/zinc/27/65/17/986276517.db2.gz KHHYCXWVKZAFDB-UHFFFAOYSA-N -2 0 374.389 2.969 20 0 FFADRL CCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnn(C2CCC2)c1 ZINC001597028098 986437736 /nfs/dbraw/zinc/43/77/36/986437736.db2.gz HOPORJCTXJQELU-UHFFFAOYSA-N -2 0 365.411 2.506 20 0 FFADRL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1scnc1CC ZINC001597077182 986613091 /nfs/dbraw/zinc/61/30/91/986613091.db2.gz ZKVGIUUMHGVNHU-UHFFFAOYSA-N -2 0 356.425 2.603 20 0 FFADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c2ncccc12 ZINC001597126201 986836821 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FFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2nc(C(C)C)c(C(=O)[O-])s2)c1 ZINC001591525606 992700889 /nfs/dbraw/zinc/70/08/89/992700889.db2.gz FTNWHAQBPKDXFE-UHFFFAOYSA-N -2 0 372.472 2.618 20 0 FFADRL CC1(C)CCc2nc([N-]S(=O)(=O)c3csnc3C(=O)[O-])sc2C1 ZINC001593916716 996821366 /nfs/dbraw/zinc/82/13/66/996821366.db2.gz YAGARDQUWHQHEV-UHFFFAOYSA-N -2 0 373.481 2.614 20 0 FFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC001599383732 996906246 /nfs/dbraw/zinc/90/62/46/996906246.db2.gz IUOYLJHNMHPHRQ-UHFFFAOYSA-N -2 0 365.407 2.981 20 0 FFADRL COCc1nc([N-]S(=O)(=O)c2ccc(Cl)s2)sc1C(=O)[O-] ZINC001599303334 997269797 /nfs/dbraw/zinc/26/97/97/997269797.db2.gz HSKOPMGTMPAJHL-UHFFFAOYSA-N -2 0 368.845 2.503 20 0 FFADRL COC(=O)c1cc(C)sc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001598928194 997691152 /nfs/dbraw/zinc/69/11/52/997691152.db2.gz MBPDMTDOYKCHFD-UHFFFAOYSA-N -2 0 373.408 2.552 20 0 FFADRL C[C@@]1(NC(=O)c2cccc(Br)c2[O-])CCCC[C@@H]1C(=O)[O-] ZINC001594055373 997782869 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Cn1ncc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1C(=O)[O-] ZINC000540293511 516504365 /nfs/dbraw/zinc/50/43/65/516504365.db2.gz SOYKCAOBIHIELL-UHFFFAOYSA-N -2 0 371.827 2.787 20 0 FFADRL CCCc1nc(C)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)s1 ZINC000547949314 516651483 /nfs/dbraw/zinc/65/14/83/516651483.db2.gz WXBVRFSBAXTXQC-UHFFFAOYSA-N -2 0 359.411 2.714 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)Cc1ccccc1F ZINC000548264134 516857075 /nfs/dbraw/zinc/85/70/75/516857075.db2.gz ORPRDCUPEYDTEQ-UHFFFAOYSA-N -2 0 357.334 2.614 20 0 FFADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000519041468 516864911 /nfs/dbraw/zinc/86/49/11/516864911.db2.gz SXVYCVRJAUZKSJ-UHFFFAOYSA-N -2 0 359.762 2.613 20 0 FFADRL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccco1 ZINC000555374525 516904448 /nfs/dbraw/zinc/90/44/48/516904448.db2.gz KKBDVCGKWZIHEK-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL COc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1Cl ZINC000525379271 517022919 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Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1ccc2nnn(C)c2c1 ZINC000563436051 517903492 /nfs/dbraw/zinc/90/34/92/517903492.db2.gz FZFDEFATGHHZFG-UHFFFAOYSA-N -2 0 353.378 2.977 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000530868167 518021855 /nfs/dbraw/zinc/02/18/55/518021855.db2.gz SSGNAECZADUDGM-UHFFFAOYSA-N -3 0 369.420 2.871 20 0 FFADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1O ZINC000578957112 518451978 /nfs/dbraw/zinc/45/19/78/518451978.db2.gz VXAVLBYAWNNQLN-UHFFFAOYSA-N -2 0 355.799 2.782 20 0 FFADRL CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])CC2 ZINC000573561488 518727314 /nfs/dbraw/zinc/72/73/14/518727314.db2.gz NYFYCKXNTPDMPX-CYBMUJFWSA-N -2 0 366.464 2.931 20 0 FFADRL COc1cc(F)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(F)c1 ZINC000588625677 518790828 /nfs/dbraw/zinc/79/08/28/518790828.db2.gz OUJUOEDOFGBTKX-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cn1C ZINC000583008939 519031888 /nfs/dbraw/zinc/03/18/88/519031888.db2.gz SOAZPDCYLLTQLA-GFCCVEGCSA-N -2 0 365.455 2.923 20 0 FFADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000574796153 519335761 /nfs/dbraw/zinc/33/57/61/519335761.db2.gz BTXYRPNLRRVFLJ-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000569100867 519377071 /nfs/dbraw/zinc/37/70/71/519377071.db2.gz MVVBWWBOGBWYMC-UHFFFAOYSA-N -2 0 358.803 2.954 20 0 FFADRL CC(=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1O ZINC000580952465 519445688 /nfs/dbraw/zinc/44/56/88/519445688.db2.gz GCXSMXCZHLHWOL-INIZCTEOSA-N -2 0 355.390 2.801 20 0 FFADRL Cc1ccc(-c2n[n-]c(=NC(=O)c3ccc(C(=O)[O-])cn3)s2)c(C)c1 ZINC000620355157 522199670 /nfs/dbraw/zinc/19/96/70/522199670.db2.gz GWRJNJVAMKMFSQ-UHFFFAOYSA-N -2 0 354.391 2.589 20 0 FFADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000821539460 597718408 /nfs/dbraw/zinc/71/84/08/597718408.db2.gz XISXAQQMJGTXSJ-UHFFFAOYSA-N -2 0 358.375 2.770 20 0 FFADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000232209967 599739604 /nfs/dbraw/zinc/73/96/04/599739604.db2.gz QJCLAWZOULTGMJ-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL O=C([O-])COc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000739824064 599802464 /nfs/dbraw/zinc/80/24/64/599802464.db2.gz SVOSNTFUSNDIBO-FPYGCLRLSA-N -2 0 366.329 2.667 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)o1 ZINC000740186746 599802665 /nfs/dbraw/zinc/80/26/65/599802665.db2.gz RVDQBZGUTUPAIC-UHFFFAOYSA-N -2 0 364.404 2.826 20 0 FFADRL O=C([O-])CCc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1 ZINC000739755935 599860392 /nfs/dbraw/zinc/86/03/92/599860392.db2.gz DOLMWGHYITZNCW-UHFFFAOYSA-N -2 0 367.401 2.902 20 0 FFADRL O=C([O-])c1sc2ccccc2c1CNC(=O)c1cc2c(cc1O)OCO2 ZINC000739435907 599881889 /nfs/dbraw/zinc/88/18/89/599881889.db2.gz JXKANKPTMKFCAL-UHFFFAOYSA-N -2 0 371.370 2.964 20 0 FFADRL COC(=O)c1sc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1C ZINC000737719012 599905303 /nfs/dbraw/zinc/90/53/03/599905303.db2.gz KNTKHUCWXRULTK-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL Cc1cc(C)cc([C@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])c1 ZINC000736744916 599988734 /nfs/dbraw/zinc/98/87/34/599988734.db2.gz FRUOXSBZDDNRRY-QGZVFWFLSA-N -2 0 360.410 2.983 20 0 FFADRL Cc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c1C(=O)[O-] ZINC000738746129 600052228 /nfs/dbraw/zinc/05/22/28/600052228.db2.gz DJDYOTJXOHDQIG-UHFFFAOYSA-N -2 0 352.437 2.829 20 0 FFADRL O=C([O-])Cc1csc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)n1 ZINC000738633909 600054233 /nfs/dbraw/zinc/05/42/33/600054233.db2.gz WSFLTPNBPSAYJI-WAYWQWQTSA-N -2 0 358.828 2.836 20 0 FFADRL Cc1nc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)sc1C(=O)[O-] ZINC000738478622 600054630 /nfs/dbraw/zinc/05/46/30/600054630.db2.gz ZGUBYENOZQVPOX-UHFFFAOYSA-N -2 0 363.420 2.807 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000738241044 600054964 /nfs/dbraw/zinc/05/49/64/600054964.db2.gz SESJZWCNGAPRHL-UHFFFAOYSA-N -2 0 371.418 2.739 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)c1 ZINC000738688761 600055416 /nfs/dbraw/zinc/05/54/16/600055416.db2.gz KGBTZYAKSDVDPL-UHFFFAOYSA-N -2 0 371.418 2.625 20 0 FFADRL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000738513937 600056794 /nfs/dbraw/zinc/05/67/94/600056794.db2.gz YGMPZLULKZOUBO-UHFFFAOYSA-N -2 0 367.810 2.606 20 0 FFADRL CCCCCc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000736991619 600230662 /nfs/dbraw/zinc/23/06/62/600230662.db2.gz OOUZKWMACYJCAI-UHFFFAOYSA-N -2 0 351.428 2.950 20 0 FFADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000738214325 600233735 /nfs/dbraw/zinc/23/37/35/600233735.db2.gz YAFBZLJKEYOCNT-UHFFFAOYSA-N -2 0 361.832 2.592 20 0 FFADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)F ZINC000738143491 600237464 /nfs/dbraw/zinc/23/74/64/600237464.db2.gz ZLVUKOFRUYNHSK-UHFFFAOYSA-N -2 0 373.333 2.796 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cnc1Cl ZINC000738477058 600302681 /nfs/dbraw/zinc/30/26/81/600302681.db2.gz FNZCORIGJJNLHK-UHFFFAOYSA-N -2 0 355.803 2.612 20 0 FFADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000738873103 600481337 /nfs/dbraw/zinc/48/13/37/600481337.db2.gz OLHMPAFFRSWCEF-UHFFFAOYSA-N -2 0 374.784 2.585 20 0 FFADRL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000739687564 600489786 /nfs/dbraw/zinc/48/97/86/600489786.db2.gz QHSZNUJAAGYKIF-UHFFFAOYSA-N -2 0 353.371 2.870 20 0 FFADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000392193165 600637263 /nfs/dbraw/zinc/63/72/63/600637263.db2.gz PIEAQQPMTDKRNG-UHFFFAOYSA-N -2 0 374.733 2.886 20 0 FFADRL COC(=O)c1sc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000831479810 600810394 /nfs/dbraw/zinc/81/03/94/600810394.db2.gz UETCXBYQIRFTJR-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)n2)cc1C(=O)[O-] ZINC000832956453 600830571 /nfs/dbraw/zinc/83/05/71/600830571.db2.gz BOVXEALZKJWYCQ-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC000826676146 600937600 /nfs/dbraw/zinc/93/76/00/600937600.db2.gz FAHNYDPWFSSUML-CYBMUJFWSA-N -2 0 367.448 2.691 20 0 FFADRL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000827139858 600983794 /nfs/dbraw/zinc/98/37/94/600983794.db2.gz UAOUCRKPKWDDML-UHFFFAOYSA-N -2 0 370.452 2.921 20 0 FFADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000829373014 601201869 /nfs/dbraw/zinc/20/18/69/601201869.db2.gz BUIKWJYJYOCFQY-UHFFFAOYSA-N -2 0 365.455 2.810 20 0 FFADRL CCCn1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)nc2ccccc21 ZINC000829578994 601229011 /nfs/dbraw/zinc/22/90/11/601229011.db2.gz AMVPHLFVUXGQSQ-UHFFFAOYSA-N -2 0 363.395 2.847 20 0 FFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000747621108 601334950 /nfs/dbraw/zinc/33/49/50/601334950.db2.gz LZEGWPGFMUJHJU-UHFFFAOYSA-N -3 0 367.354 2.640 20 0 FFADRL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000830109578 601383886 /nfs/dbraw/zinc/38/38/86/601383886.db2.gz GLBFSTWMHSSHCJ-UHFFFAOYSA-N -2 0 356.787 2.633 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ncc1Br ZINC000148616773 601395966 /nfs/dbraw/zinc/39/59/66/601395966.db2.gz VLISRZOFIVBHLN-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833195894 601476295 /nfs/dbraw/zinc/47/62/95/601476295.db2.gz RWKZYVGAAUXLEX-OAHLLOKOSA-N -2 0 354.387 2.941 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000832852859 601503991 /nfs/dbraw/zinc/50/39/91/601503991.db2.gz NRXIQKSARBDWSL-UHFFFAOYSA-N -2 0 355.441 2.643 20 0 FFADRL CSc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000832790752 601577372 /nfs/dbraw/zinc/57/73/72/601577372.db2.gz QKEXGFRQDGVHTM-UHFFFAOYSA-N -2 0 360.363 2.581 20 0 FFADRL CC(C)CC1(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CCCC1 ZINC000826826772 601598905 /nfs/dbraw/zinc/59/89/05/601598905.db2.gz QRVPMVWDGIIZAY-UHFFFAOYSA-N -2 0 353.440 2.796 20 0 FFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c1 ZINC000321250619 601770862 /nfs/dbraw/zinc/77/08/62/601770862.db2.gz KCBLJJRQPLRAOA-UHFFFAOYSA-N -2 0 358.416 2.799 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1F ZINC000321115167 601770877 /nfs/dbraw/zinc/77/08/77/601770877.db2.gz BCEGFZNLBWQKJX-UHFFFAOYSA-N -2 0 358.416 2.799 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c2ccccc12 ZINC000832468348 601783348 /nfs/dbraw/zinc/78/33/48/601783348.db2.gz AIOXNVYPLONZLI-UHFFFAOYSA-N -2 0 360.391 2.686 20 0 FFADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751143185 601831302 /nfs/dbraw/zinc/83/13/02/601831302.db2.gz WTIMLZMZYBMRIU-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000833345825 601834987 /nfs/dbraw/zinc/83/49/87/601834987.db2.gz ZAYSXQOVYKPWPI-UHFFFAOYSA-N -2 0 368.436 2.964 20 0 FFADRL CCOCc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000830021269 601839796 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O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cc1 ZINC000777645643 738309483 /nfs/dbraw/zinc/30/94/83/738309483.db2.gz RTSWHHNEWJJDTN-UHFFFAOYSA-N -2 0 363.439 2.501 20 0 FFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000793432905 739780936 /nfs/dbraw/zinc/78/09/36/739780936.db2.gz RSRDXOAOJYXXOG-UHFFFAOYSA-N -2 0 367.402 2.622 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000833334912 745782963 /nfs/dbraw/zinc/78/29/63/745782963.db2.gz SMVNXUZPBLCOGX-UHFFFAOYSA-N -2 0 361.404 2.704 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCC2(F)F)c1F ZINC000840890559 747214468 /nfs/dbraw/zinc/21/44/68/747214468.db2.gz ARLCBASERWXYIN-JTQLQIEISA-N -2 0 351.346 2.546 20 0 FFADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000325380972 971210357 /nfs/dbraw/zinc/21/03/57/971210357.db2.gz WTDXIWPTDAVMTJ-UHFFFAOYSA-N -2 0 370.452 2.668 20 0 FFADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000326869740 971338349 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CC(C)(C)OC(=O)Nc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncn1 ZINC001176239720 1013657593 /nfs/dbraw/zinc/65/75/93/1013657593.db2.gz RJNGNCIUZZPPPE-UHFFFAOYSA-N -2 0 374.353 2.964 20 0 FFADRL Nc1c(F)cnc(Br)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176240576 1013657638 /nfs/dbraw/zinc/65/76/38/1013657638.db2.gz YGUJPRILNBXXNZ-UHFFFAOYSA-N -2 0 370.134 2.705 20 0 FFADRL C[C@H]1Cc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2N(C)C1=O ZINC001176243970 1013658581 /nfs/dbraw/zinc/65/85/81/1013658581.db2.gz NPKSJFNNNGBNNH-JTQLQIEISA-N -2 0 354.362 2.982 20 0 FFADRL CC(C)C[C@@H](CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(=O)[O-] ZINC000874966333 1013937545 /nfs/dbraw/zinc/93/75/45/1013937545.db2.gz JOEFAGYTEBZQNB-ZDUSSCGKSA-N -2 0 359.378 2.941 20 0 FFADRL CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])cc2O1 ZINC000319879790 970584310 /nfs/dbraw/zinc/58/43/10/970584310.db2.gz UKSZXNINURYGBE-UHFFFAOYSA-N -2 0 355.393 2.754 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c(Cl)c1 ZINC000321325817 970761336 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COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1 ZINC001599504186 997181653 /nfs/dbraw/zinc/18/16/53/997181653.db2.gz AGGUHPXHIFOEGL-UHFFFAOYSA-N -2 0 364.423 2.887 20 0 FFADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC001599378102 998521654 /nfs/dbraw/zinc/52/16/54/998521654.db2.gz RNRVFFFSCYMGCT-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001594158192 998583679 /nfs/dbraw/zinc/58/36/79/998583679.db2.gz DOQWWSDMIHWTHT-XPUUQOCRSA-N -2 0 362.607 2.743 20 0 FFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(C)cc2)c(C(=O)[O-])c1C ZINC001599022607 998992663 /nfs/dbraw/zinc/99/26/63/998992663.db2.gz NHLNDTRRGNYNLO-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL C[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)sc2C1 ZINC001594450790 999648182 /nfs/dbraw/zinc/64/81/82/999648182.db2.gz KLJUSOJBHMJOLD-SNVBAGLBSA-N -2 0 366.464 2.696 20 0 FFADRL O=C(Nc1cccc2cncc(F)c21)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926427 1001240621 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MWOMYQPULKVRIB-JTQLQIEISA-N -2 0 365.436 2.908 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000046303211 507112587 /nfs/dbraw/zinc/11/25/87/507112587.db2.gz FJVORBPPSMLCHO-UHFFFAOYSA-N -2 0 373.390 2.584 20 0 FFADRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000064479008 507798520 /nfs/dbraw/zinc/79/85/20/507798520.db2.gz PBCSYHGEBXCWKI-UHFFFAOYSA-N -2 0 360.391 2.683 20 0 FFADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000164634767 509520662 /nfs/dbraw/zinc/52/06/62/509520662.db2.gz KPRKWRMIEAPAET-UHFFFAOYSA-N -2 0 355.391 2.567 20 0 FFADRL CCn1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1C1CC1 ZINC000269106564 510238364 /nfs/dbraw/zinc/23/83/64/510238364.db2.gz WCHWKTUUKKILFN-UHFFFAOYSA-N -2 0 369.830 2.933 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C2CCCC2)c1C ZINC000194226685 510271174 /nfs/dbraw/zinc/27/11/74/510271174.db2.gz JVGPNXVQFSBCHL-UHFFFAOYSA-N -2 0 353.400 2.707 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1C1CCCC1 ZINC000194229807 510271213 /nfs/dbraw/zinc/27/12/13/510271213.db2.gz SHQZPEQCGACRMF-UHFFFAOYSA-N -2 0 367.402 2.945 20 0 FFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000181660643 510525639 /nfs/dbraw/zinc/52/56/39/510525639.db2.gz ZYXNPISPBRYVQA-UHFFFAOYSA-N -2 0 351.428 2.655 20 0 FFADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000327326473 511873200 /nfs/dbraw/zinc/87/32/00/511873200.db2.gz BENATQXTQVLVCN-UHFFFAOYSA-N -2 0 365.407 2.983 20 0 FFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1C ZINC000327448061 511876853 /nfs/dbraw/zinc/87/68/53/511876853.db2.gz OHJXDFNLIICWAK-UHFFFAOYSA-N -2 0 366.370 2.592 20 0 FFADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000390249207 512906202 /nfs/dbraw/zinc/90/62/02/512906202.db2.gz WHDFCFCSACYHOQ-UHFFFAOYSA-N -2 0 351.771 2.715 20 0 FFADRL CCC(CC)(CNC(=O)N=c1[n-]nc(-c2ccsc2)s1)C(=O)[O-] ZINC000424476397 513163156 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FFADRL CC1=C(C(=O)[O-])[C@H](c2c(F)cccc2F)NC(=O)N1CCCCC(=O)[O-] ZINC000736748184 599989055 /nfs/dbraw/zinc/98/90/55/599989055.db2.gz WCCAIHCYYWUZBU-OAHLLOKOSA-N -2 0 368.336 2.645 20 0 FFADRL Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2F)sc1C(=O)[O-] ZINC000738364862 600054648 /nfs/dbraw/zinc/05/46/48/600054648.db2.gz XQPBSGIGVRTTBO-UHFFFAOYSA-N -2 0 350.780 2.743 20 0 FFADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000740034188 600056494 /nfs/dbraw/zinc/05/64/94/600056494.db2.gz SWWVRTSNNKDPTA-UHFFFAOYSA-N -2 0 354.771 2.549 20 0 FFADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000740034611 600057010 /nfs/dbraw/zinc/05/70/10/600057010.db2.gz XYQLYHYQQQTMDE-UHFFFAOYSA-N -2 0 372.402 2.823 20 0 FFADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(NC(=O)[O-])c1 ZINC000737693003 600097815 /nfs/dbraw/zinc/09/78/15/600097815.db2.gz HVJRNMKDDDDDSE-UHFFFAOYSA-N -2 0 368.342 2.503 20 0 FFADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000737050664 600126950 /nfs/dbraw/zinc/12/69/50/600126950.db2.gz MIIKKXPGIUREJK-UHFFFAOYSA-N -2 0 359.407 2.945 20 0 FFADRL Cc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc2o1 ZINC000738875722 600232698 /nfs/dbraw/zinc/23/26/98/600232698.db2.gz RWDLWJOIHCCAOQ-UHFFFAOYSA-N -2 0 368.317 2.913 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)o1 ZINC000036751798 600236087 /nfs/dbraw/zinc/23/60/87/600236087.db2.gz ARQPLNMAEWUWCO-UHFFFAOYSA-N -2 0 364.148 2.680 20 0 FFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)n1 ZINC000020302131 600246516 /nfs/dbraw/zinc/24/65/16/600246516.db2.gz IPLNMOFSCHDORY-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000740272460 600513302 /nfs/dbraw/zinc/51/33/02/600513302.db2.gz UYGLGJKYJHYEJI-UHFFFAOYSA-N -2 0 370.427 2.986 20 0 FFADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cn1 ZINC000739911981 600674582 /nfs/dbraw/zinc/67/45/82/600674582.db2.gz SVXFYABJQOAWML-UHFFFAOYSA-N -2 0 373.390 2.561 20 0 FFADRL O=C([O-])[C@@H](CNC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC000833133278 600780664 /nfs/dbraw/zinc/78/06/64/600780664.db2.gz IQNUCWAOOAORFQ-LBPRGKRZSA-N -2 0 364.195 2.753 20 0 FFADRL CC(C)=CCSc1ccccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736344070 600814766 /nfs/dbraw/zinc/81/47/66/600814766.db2.gz YVJAUZXBXAUXCJ-UHFFFAOYSA-N -2 0 371.480 2.669 20 0 FFADRL Cc1cc2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)nc2c(C)c1 ZINC000832874361 600827670 /nfs/dbraw/zinc/82/76/70/600827670.db2.gz GTWABRYGZHHOFR-UHFFFAOYSA-N -2 0 365.436 2.751 20 0 FFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000833315562 600944443 /nfs/dbraw/zinc/94/44/43/600944443.db2.gz TZTFVKWYKZHCBU-JKSUJKDBSA-N -2 0 365.451 2.547 20 0 FFADRL Cc1[nH]c(C([O-])=CS(=O)(=O)[C@H](C)c2cccc(C)c2)c(C)c1C(=O)[O-] ZINC000832966746 600975228 /nfs/dbraw/zinc/97/52/28/600975228.db2.gz XSCGKGUNBGNNCI-CYBMUJFWSA-N -2 0 363.435 2.997 20 0 FFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC000833318275 600988905 /nfs/dbraw/zinc/98/89/05/600988905.db2.gz LVFHILRGUJCQQQ-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)o1 ZINC000740177635 601117067 /nfs/dbraw/zinc/11/70/67/601117067.db2.gz OSBDHUBLOSPOOL-UHFFFAOYSA-N -2 0 351.258 2.503 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c(C(=O)[O-])c1 ZINC000749140930 601224184 /nfs/dbraw/zinc/22/41/84/601224184.db2.gz DUSDCDHZDISQIX-UHFFFAOYSA-N -3 0 367.354 2.640 20 0 FFADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000833297491 601224944 /nfs/dbraw/zinc/22/49/44/601224944.db2.gz OUYZPRQUWDVIGZ-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL O=C([O-])Nc1cccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000833289960 601233301 /nfs/dbraw/zinc/23/33/01/601233301.db2.gz QUKVNDNHIKPXHI-UHFFFAOYSA-N -2 0 372.305 2.554 20 0 FFADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000833184239 601235121 /nfs/dbraw/zinc/23/51/21/601235121.db2.gz OQMAYDAPZKHXLO-LSDHHAIUSA-N -2 0 361.419 2.536 20 0 FFADRL O=C([O-])CCCCCNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000833224799 601386450 /nfs/dbraw/zinc/38/64/50/601386450.db2.gz NIGXUOJELRMPRG-UHFFFAOYSA-N -2 0 351.790 2.606 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000831945507 601395571 /nfs/dbraw/zinc/39/55/71/601395571.db2.gz JFDGBWVSUVUBNT-UHFFFAOYSA-N -2 0 360.413 2.541 20 0 FFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000833344976 601485485 /nfs/dbraw/zinc/48/54/85/601485485.db2.gz NXHKURYWXCCCKU-UHFFFAOYSA-N -2 0 366.704 2.651 20 0 FFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000833345969 601486740 /nfs/dbraw/zinc/48/67/40/601486740.db2.gz IIRGBWPUFXKTEV-UHFFFAOYSA-N -2 0 365.392 2.661 20 0 FFADRL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000829373375 601502291 /nfs/dbraw/zinc/50/22/91/601502291.db2.gz UDEWNGLYIMVDOQ-UHFFFAOYSA-N -2 0 355.441 2.770 20 0 FFADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000826528118 601502827 /nfs/dbraw/zinc/50/28/27/601502827.db2.gz JPKOYINVXIZCGT-RMKNXTFCSA-N -2 0 367.452 2.734 20 0 FFADRL O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833234485 601515094 /nfs/dbraw/zinc/51/50/94/601515094.db2.gz PZRSJQWPSISVJY-UHFFFAOYSA-N -2 0 357.391 2.629 20 0 FFADRL O=C([O-])C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccccc1 ZINC000833200428 601756309 /nfs/dbraw/zinc/75/63/09/601756309.db2.gz RRDNSCVPZQNVHO-HNNXBMFYSA-N -2 0 369.352 2.663 20 0 FFADRL O=C([O-])[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c2ccccc21 ZINC000833192851 601757258 /nfs/dbraw/zinc/75/72/58/601757258.db2.gz WJYGZLZMILZAFT-CQSZACIVSA-N -2 0 367.336 2.546 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)ccc1Cl ZINC000833306488 601844023 /nfs/dbraw/zinc/84/40/23/601844023.db2.gz YAGWMJVANQDRJJ-UHFFFAOYSA-N -2 0 369.761 2.854 20 0 FFADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000829740447 601862833 /nfs/dbraw/zinc/86/28/33/601862833.db2.gz JNOYQQIKROLFCS-UHFFFAOYSA-N -2 0 363.391 2.607 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)c1 ZINC000833333688 602103778 /nfs/dbraw/zinc/10/37/78/602103778.db2.gz FRHLWVGPJXBDCP-UHFFFAOYSA-N -2 0 367.433 2.766 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1C ZINC000832868255 602117862 /nfs/dbraw/zinc/11/78/62/602117862.db2.gz KCBNIKPEKFDABO-UHFFFAOYSA-N -3 0 355.393 2.562 20 0 FFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000833346644 602156645 /nfs/dbraw/zinc/15/66/45/602156645.db2.gz MPLIHNXNSJBIJQ-UHFFFAOYSA-N -2 0 366.342 2.802 20 0 FFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000833345943 602157666 /nfs/dbraw/zinc/15/76/66/602157666.db2.gz CDNLCUIHIXURIL-UHFFFAOYSA-N -2 0 353.208 2.949 20 0 FFADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000827304368 602179200 /nfs/dbraw/zinc/17/92/00/602179200.db2.gz SIEVKPGJASBSTP-GFCCVEGCSA-N -2 0 353.440 2.650 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)ccc1F ZINC000833304037 602308726 /nfs/dbraw/zinc/30/87/26/602308726.db2.gz MBPRPCVTVMQTEP-UHFFFAOYSA-N -2 0 353.375 2.705 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCNC(=O)[O-])c2)s1 ZINC000740151317 602455621 /nfs/dbraw/zinc/45/56/21/602455621.db2.gz ZJACWSFHENDQRW-UHFFFAOYSA-N -2 0 356.425 2.504 20 0 FFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1NC(=O)[O-] ZINC000740241993 602869132 /nfs/dbraw/zinc/86/91/32/602869132.db2.gz HMLJWXMITMTUER-UHFFFAOYSA-N -2 0 352.416 2.972 20 0 FFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000739924681 602930312 /nfs/dbraw/zinc/93/03/12/602930312.db2.gz VLGKPRJSYQLTFJ-UHFFFAOYSA-N -2 0 357.775 2.634 20 0 FFADRL O=C([O-])N1CCc2c(cccc2[N-]S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000740530444 603183552 /nfs/dbraw/zinc/18/35/52/603183552.db2.gz XDIYUNIWZAMYFT-UHFFFAOYSA-N -2 0 368.361 2.802 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H]3CNC(=O)[O-])n2)cc1 ZINC000824464626 603995971 /nfs/dbraw/zinc/99/59/71/603995971.db2.gz SYUARGGIVOPGKI-OAHLLOKOSA-N -2 0 372.425 2.574 20 0 FFADRL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000825442408 604002471 /nfs/dbraw/zinc/00/24/71/604002471.db2.gz GEZUGVBCZMTLJN-SNVBAGLBSA-N -2 0 368.349 2.611 20 0 FFADRL C[C@@H](CC(=O)Nc1cc(Cl)cc(Br)c1[O-])NC(=O)[O-] ZINC000824680409 604116245 /nfs/dbraw/zinc/11/62/45/604116245.db2.gz VIHRNSBZPSSKCV-YFKPBYRVSA-N -2 0 351.584 2.793 20 0 FFADRL O=C([O-])Nc1ccc(CCNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832841683 604158204 /nfs/dbraw/zinc/15/82/04/604158204.db2.gz LIGAZQCTLQFGHE-MRXNPFEDSA-N -2 0 356.378 2.694 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)c(NC(=O)[O-])c2)c(C)c1 ZINC000830414053 604208283 /nfs/dbraw/zinc/20/82/83/604208283.db2.gz GKGVCOQUFVLNRU-UHFFFAOYSA-N -2 0 362.407 2.820 20 0 FFADRL C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000825377771 604283331 /nfs/dbraw/zinc/28/33/31/604283331.db2.gz KEKOCBDMZLQLMS-CXAGYDPISA-N -2 0 370.405 2.890 20 0 FFADRL Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000832886668 604406629 /nfs/dbraw/zinc/40/66/29/604406629.db2.gz QJVNXZYRLQXATC-UHFFFAOYSA-N -2 0 359.812 2.527 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c2cccnc12 ZINC000833733339 604503150 /nfs/dbraw/zinc/50/31/50/604503150.db2.gz OUFVHUMZQOXVJV-UHFFFAOYSA-N -2 0 362.363 2.644 20 0 FFADRL Cc1cc([C@@H](C)OC(=O)c2ccccc2[N-]S(C)(=O)=O)oc1C(=O)[O-] ZINC000832875342 604555191 /nfs/dbraw/zinc/55/51/91/604555191.db2.gz NOSPXTWZCXMOLA-SNVBAGLBSA-N -2 0 367.379 2.576 20 0 FFADRL Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833583572 604623794 /nfs/dbraw/zinc/62/37/94/604623794.db2.gz IYKPDYWVIZDDDE-KRWDZBQOSA-N -2 0 365.389 2.979 20 0 FFADRL CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833505762 604687258 /nfs/dbraw/zinc/68/72/58/604687258.db2.gz SEWUWVWVYLCKCP-UHFFFAOYSA-N -2 0 350.396 2.506 20 0 FFADRL CCCN(C(=O)c1cccc(Br)c1[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000826887382 604929327 /nfs/dbraw/zinc/92/93/27/604929327.db2.gz QWALISREVXMSEN-SNVBAGLBSA-N -2 0 371.231 2.759 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])nn1[C@@H](C)C1CC1 ZINC000833747289 605330907 /nfs/dbraw/zinc/33/09/07/605330907.db2.gz VDGPEDNHVWHEMF-JTQLQIEISA-N -2 0 367.402 2.801 20 0 FFADRL C/C(=C/c1ccc(C)cc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833381927 605492653 /nfs/dbraw/zinc/49/26/53/605492653.db2.gz AUKTUVPICYIARJ-RAXLEYEMSA-N -2 0 359.403 2.602 20 0 FFADRL CCCN(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CCN(C(=O)[O-])CC1 ZINC000826887302 605819251 /nfs/dbraw/zinc/81/92/51/605819251.db2.gz QNZNUIRPLJBDRZ-UHFFFAOYSA-N -2 0 372.425 2.573 20 0 FFADRL O=C([O-])C[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000834061322 606031574 /nfs/dbraw/zinc/03/15/74/606031574.db2.gz SYCWQXSOUDMAOI-OAHLLOKOSA-N -2 0 360.341 2.790 20 0 FFADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000833788636 606053108 /nfs/dbraw/zinc/05/31/08/606053108.db2.gz BLPAOLLLFRXZAI-MLGOLLRUSA-N -2 0 356.378 2.646 20 0 FFADRL C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000833789447 606054120 /nfs/dbraw/zinc/05/41/20/606054120.db2.gz KBHYEFMPHKIVCK-XCRHUMRWSA-N -2 0 370.405 2.964 20 0 FFADRL O=C([O-])c1sc2ccsc2c1CNC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000834283726 606061270 /nfs/dbraw/zinc/06/12/70/606061270.db2.gz VEPSMIAQBYIWMY-VIFPVBQESA-N -2 0 368.436 2.810 20 0 FFADRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000064479101 728150376 /nfs/dbraw/zinc/15/03/76/728150376.db2.gz OOAJELNFZNQZEH-UHFFFAOYSA-N -2 0 366.782 2.719 20 0 FFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1Cl ZINC000067124867 728180309 /nfs/dbraw/zinc/18/03/09/728180309.db2.gz NMSPKHHAAJRNMR-UHFFFAOYSA-N -2 0 374.733 2.886 20 0 FFADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000323673917 729755439 /nfs/dbraw/zinc/75/54/39/729755439.db2.gz FVGVAQLSRVNSOK-UHFFFAOYSA-N -2 0 355.799 2.985 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2COC)cc1C(=O)[O-] ZINC000424077017 729862380 /nfs/dbraw/zinc/86/23/80/729862380.db2.gz ATQDAMVYWYLWOR-UHFFFAOYSA-N -2 0 372.830 2.807 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1C(=O)[O-] ZINC000481619421 729912024 /nfs/dbraw/zinc/91/20/24/729912024.db2.gz JTWKXLNEHKOELO-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL COCC1(S(=O)(=O)[N-]c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000641685246 730245836 /nfs/dbraw/zinc/24/58/36/730245836.db2.gz GBLVCNRTFHIMRJ-UHFFFAOYSA-N -2 0 370.652 2.729 20 0 FFADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000863959044 730818055 /nfs/dbraw/zinc/81/80/55/730818055.db2.gz RLYZYQCMKAQKSM-UHFFFAOYSA-N -2 0 355.456 2.581 20 0 FFADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000863963455 730818258 /nfs/dbraw/zinc/81/82/58/730818258.db2.gz XGQLQFPTKZXFBU-ZDUSSCGKSA-N -2 0 367.398 2.531 20 0 FFADRL CCCOc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc1C(C)C ZINC000863965426 730818322 /nfs/dbraw/zinc/81/83/22/730818322.db2.gz WXXDPDNGSXMIOU-UHFFFAOYSA-N -2 0 371.455 2.515 20 0 FFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cn1C ZINC000654768432 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ZINC001591982738 976599837 /nfs/dbraw/zinc/59/98/37/976599837.db2.gz DKJHUQJYLHRLMO-UHFFFAOYSA-N -2 0 369.377 2.923 20 0 FFADRL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001592259341 977499146 /nfs/dbraw/zinc/49/91/46/977499146.db2.gz OLOCDEGRWQCNGN-CYBMUJFWSA-N -2 0 361.419 2.525 20 0 FFADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n[nH]1 ZINC001595579681 981509925 /nfs/dbraw/zinc/50/99/25/981509925.db2.gz SLXAPAONQQFFEJ-LLVKDONJSA-N -2 0 351.428 2.741 20 0 FFADRL CC[C@H](C)C[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001594950399 982659426 /nfs/dbraw/zinc/65/94/26/982659426.db2.gz YLHLRKFZYXNBGX-GXFFZTMASA-N -2 0 365.817 2.851 20 0 FFADRL CCCOc1cncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001595975871 983213940 /nfs/dbraw/zinc/21/39/40/983213940.db2.gz SYAAWCCBWHCTML-UHFFFAOYSA-N -2 0 350.396 2.678 20 0 FFADRL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC001596723503 984970574 /nfs/dbraw/zinc/97/05/74/984970574.db2.gz 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362.363 2.755 20 0 FFADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)ccn1 ZINC001259213297 1039808427 /nfs/dbraw/zinc/80/84/27/1039808427.db2.gz MASYOKJOESIZJT-UHFFFAOYSA-N -2 0 374.777 2.772 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3o2)c1 ZINC001260182973 1040443348 /nfs/dbraw/zinc/44/33/48/1040443348.db2.gz ZKFPTXQDRSFPED-UHFFFAOYSA-N -2 0 352.755 2.980 20 0 FFADRL COC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190123 1040447791 /nfs/dbraw/zinc/44/77/91/1040447791.db2.gz BUUNGNBZIJXSRJ-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccnc2C2CCC2)c1 ZINC001260210450 1040464007 /nfs/dbraw/zinc/46/40/07/1040464007.db2.gz LFXQCUFYMVQJLI-UHFFFAOYSA-N -2 0 350.371 2.987 20 0 FFADRL Cc1cc(Br)nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260221888 1040473134 /nfs/dbraw/zinc/47/31/34/1040473134.db2.gz YQOFKNDADGILOF-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)cn2)cc1 ZINC001260221404 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COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000298854258 257944481 /nfs/dbraw/zinc/94/44/81/257944481.db2.gz MMHJBVPHSFDWAO-UHFFFAOYSA-N -2 0 371.436 2.581 20 0 FFADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)c2n1 ZINC000066235514 506454425 /nfs/dbraw/zinc/45/44/25/506454425.db2.gz LJWJOOQIRFPYQU-UHFFFAOYSA-N -2 0 372.402 2.807 20 0 FFADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2F)c1 ZINC000054796055 506624034 /nfs/dbraw/zinc/62/40/34/506624034.db2.gz SRVLYJXYRYTDRV-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000057122662 507177750 /nfs/dbraw/zinc/17/77/50/507177750.db2.gz QGPWPNOGBZUEFH-UHFFFAOYSA-N -2 0 360.391 2.844 20 0 FFADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000057178015 507197384 /nfs/dbraw/zinc/19/73/84/507197384.db2.gz TUONDCAIEMHKPR-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000137234452 508746261 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C[C@@H](SCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)c1ccccc1F ZINC001590032817 1080958681 /nfs/dbraw/zinc/95/86/81/1080958681.db2.gz FPOLZJFIQRSVOJ-SECBINFHSA-N -2 0 371.401 2.749 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)[nH]nc1C(F)F ZINC000272448914 252040921 /nfs/dbraw/zinc/04/09/21/252040921.db2.gz VNOBATJEDNPYPF-UHFFFAOYSA-N -2 0 359.354 2.717 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000410402159 512255073 /nfs/dbraw/zinc/25/50/73/512255073.db2.gz PCJSWEAWHIRYGQ-UHFFFAOYSA-N -2 0 365.407 2.981 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)c(O)c1 ZINC000037592401 506429332 /nfs/dbraw/zinc/42/93/32/506429332.db2.gz SRIUFHMSMFDJIF-UHFFFAOYSA-N -2 0 372.196 2.654 20 0 FFADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cn1 ZINC000066585378 506563246 /nfs/dbraw/zinc/56/32/46/506563246.db2.gz RQCWNICEPHSDRV-UHFFFAOYSA-N -2 0 363.439 2.842 20 0 FFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000042792611 506669109 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FFADRL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1[O-] ZINC000193332893 509869949 /nfs/dbraw/zinc/86/99/49/509869949.db2.gz KCEXEYVUJDUMGI-LURJTMIESA-N -2 0 358.641 2.585 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000174273230 510034078 /nfs/dbraw/zinc/03/40/78/510034078.db2.gz NEBSEUGNQMDLNU-ZJUUUORDSA-N -2 0 369.336 2.923 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c(C)c1C(=O)[O-] ZINC000187716540 510399218 /nfs/dbraw/zinc/39/92/18/510399218.db2.gz LHJQCSKOTNHVKM-LBPRGKRZSA-N -2 0 363.439 2.970 20 0 FFADRL COc1ccsc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000281952810 512024270 /nfs/dbraw/zinc/02/42/70/512024270.db2.gz SHJOFAVTEGNHQF-UHFFFAOYSA-N -2 0 355.437 2.965 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1-c1ncco1 ZINC000371979333 512664068 /nfs/dbraw/zinc/66/40/68/512664068.db2.gz LJVWTEYFGZCWGF-UHFFFAOYSA-N -2 0 374.374 2.855 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C)n(C(C)C)n2)cc1C(=O)[O-] ZINC000421175332 513136308 /nfs/dbraw/zinc/13/63/08/513136308.db2.gz CKTNYPYWXHPDNP-UHFFFAOYSA-N -2 0 351.428 2.834 20 0 FFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000447116046 513402177 /nfs/dbraw/zinc/40/21/77/513402177.db2.gz JLYUIKKBPHYWJM-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cccc(Cl)c3C(=O)[O-])cn21 ZINC000416407806 513756014 /nfs/dbraw/zinc/75/60/14/513756014.db2.gz MGPTVMJKWPKIGD-VIFPVBQESA-N -2 0 369.830 2.933 20 0 FFADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436726543 513958638 /nfs/dbraw/zinc/95/86/38/513958638.db2.gz VSUZQYGXQLJAKU-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000436879909 514018185 /nfs/dbraw/zinc/01/81/85/514018185.db2.gz LVGUMMNRRHXYTD-UHFFFAOYSA-N -2 0 363.391 2.711 20 0 FFADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cn1 ZINC000436934657 514040019 /nfs/dbraw/zinc/04/00/19/514040019.db2.gz YFJZZUJPICAXHP-SNVBAGLBSA-N -2 0 365.411 2.503 20 0 FFADRL CCOc1ccncc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000414379447 514077767 /nfs/dbraw/zinc/07/77/67/514077767.db2.gz GHXZYMIWZMVIFX-LBPRGKRZSA-N -2 0 364.423 2.859 20 0 FFADRL Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1C(=O)[O-] ZINC000438780423 514441738 /nfs/dbraw/zinc/44/17/38/514441738.db2.gz RFRLCMZUYKAYSP-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL COc1c(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC000438787173 514442293 /nfs/dbraw/zinc/44/22/93/514442293.db2.gz ARJUORWYRDPRLO-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NCCC(C)(C)C(=O)[O-])s2)c1 ZINC000424389929 514470928 /nfs/dbraw/zinc/47/09/28/514470928.db2.gz MNLNBHBIJIBYSC-UHFFFAOYSA-N -2 0 362.455 3.444 20 0 FFADRL CC(C)(C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1O ZINC000479540498 514623629 /nfs/dbraw/zinc/62/36/29/514623629.db2.gz FZVURFZIWBSDNL-UHFFFAOYSA-N -2 0 365.407 2.894 20 0 FFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000507963866 514624782 /nfs/dbraw/zinc/62/47/82/514624782.db2.gz IJUAAQFIMWKAKD-UHFFFAOYSA-N -2 0 365.407 2.649 20 0 FFADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(-n3cccc3C(=O)[O-])c(C)c2)c1 ZINC000484782426 514793344 /nfs/dbraw/zinc/79/33/44/514793344.db2.gz XUVGAPRSTZBEDO-UHFFFAOYSA-N -2 0 374.422 2.501 20 0 FFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489577258 514901617 /nfs/dbraw/zinc/90/16/17/514901617.db2.gz LJZKHALUCXWASP-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)ccc1OCC(=O)[O-] ZINC000471571647 514934414 /nfs/dbraw/zinc/93/44/14/514934414.db2.gz UEOIHISFJDLAHP-UHFFFAOYSA-N -2 0 374.418 2.751 20 0 FFADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000485277040 514982220 /nfs/dbraw/zinc/98/22/20/514982220.db2.gz WHNFOJXYADLWGJ-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000471926334 515057851 /nfs/dbraw/zinc/05/78/51/515057851.db2.gz BYKGBBOWMLQXSE-UHFFFAOYSA-N -2 0 351.428 2.700 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nccc(C)n2)c1 ZINC000467760267 515107830 /nfs/dbraw/zinc/10/78/30/515107830.db2.gz XICFKOPQWSICMC-UHFFFAOYSA-N -2 0 373.390 2.852 20 0 FFADRL CCc1oncc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000509373061 515145369 /nfs/dbraw/zinc/14/53/69/515145369.db2.gz CECAZHOOETVWDT-UHFFFAOYSA-N -2 0 368.411 2.590 20 0 FFADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000510095269 515432760 /nfs/dbraw/zinc/43/27/60/515432760.db2.gz JOEMXDJONLHPNM-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000506995273 516048304 /nfs/dbraw/zinc/04/83/04/516048304.db2.gz RKRZHWIJHPCFSR-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC ZINC000507023766 516058431 /nfs/dbraw/zinc/05/84/31/516058431.db2.gz ZLXYJLZEPSDGSC-UHFFFAOYSA-N -2 0 353.371 2.896 20 0 FFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)cc1C(=O)[O-] ZINC000479244633 516123950 /nfs/dbraw/zinc/12/39/50/516123950.db2.gz BRPCPIKQYKAXGB-UHFFFAOYSA-N -2 0 371.846 3.000 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c(F)c1 ZINC000470456596 516256273 /nfs/dbraw/zinc/25/62/73/516256273.db2.gz XXWSVECKFJUVPE-UHFFFAOYSA-N -2 0 357.334 2.673 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000512786359 516356925 /nfs/dbraw/zinc/35/69/25/516356925.db2.gz ZDTXYBLGPDVFJK-UHFFFAOYSA-N -2 0 365.382 2.958 20 0 FFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c1C ZINC000547545776 516402369 /nfs/dbraw/zinc/40/23/69/516402369.db2.gz SRBGCTFTDGIWOT-UHFFFAOYSA-N -2 0 357.819 2.672 20 0 FFADRL Cc1sc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000547587984 516422937 /nfs/dbraw/zinc/42/29/37/516422937.db2.gz LCWFONGEXAXQTM-UHFFFAOYSA-N -2 0 360.344 2.603 20 0 FFADRL CN(C)c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c(C(=O)[O-])c1 ZINC000547873435 516613168 /nfs/dbraw/zinc/61/31/68/516613168.db2.gz IZCQQWXIKWQBOM-UHFFFAOYSA-N -2 0 360.391 2.998 20 0 FFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(N)c1 ZINC000547932313 516639699 /nfs/dbraw/zinc/63/96/99/516639699.db2.gz CDYSCMAMIBKGIY-UHFFFAOYSA-N -2 0 350.396 2.555 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)c1C ZINC000536118475 516640388 /nfs/dbraw/zinc/64/03/88/516640388.db2.gz LTHCCQDLLQAUIL-UHFFFAOYSA-N -2 0 363.391 2.574 20 0 FFADRL Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000548199259 516822840 /nfs/dbraw/zinc/82/28/40/516822840.db2.gz NNKZNEWJQGVMJV-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000519325875 516959528 /nfs/dbraw/zinc/95/95/28/516959528.db2.gz KPLDDVGZVPIEEX-UHFFFAOYSA-N -2 0 365.407 2.981 20 0 FFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000552017049 517029867 /nfs/dbraw/zinc/02/98/67/517029867.db2.gz BUYBIIQKJNNZAX-UHFFFAOYSA-N -2 0 365.407 2.649 20 0 FFADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000548524495 517033033 /nfs/dbraw/zinc/03/30/33/517033033.db2.gz OXDQKOWSTNLWIP-UHFFFAOYSA-N -2 0 369.761 2.854 20 0 FFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000552025752 517036010 /nfs/dbraw/zinc/03/60/10/517036010.db2.gz HHSUEYFNTZCPPE-UHFFFAOYSA-N -2 0 351.428 2.888 20 0 FFADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C(=O)[O-] ZINC000548536809 517041111 /nfs/dbraw/zinc/04/11/11/517041111.db2.gz VCSDEDOZHUNYJG-UHFFFAOYSA-N -2 0 364.423 2.569 20 0 FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2sc(C)cc2C)c(C(=O)[O-])c1 ZINC000562384021 517069421 /nfs/dbraw/zinc/06/94/21/517069421.db2.gz WIDCLAMLLDVMQO-UHFFFAOYSA-N -2 0 371.436 2.881 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000532850298 517165828 /nfs/dbraw/zinc/16/58/28/517165828.db2.gz HHSUKCPJPCTXJF-UHFFFAOYSA-N -2 0 367.354 2.585 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1-c1ccccc1 ZINC000537838187 517369784 /nfs/dbraw/zinc/36/97/84/517369784.db2.gz FAAIJHUEVWAUKR-UHFFFAOYSA-N -2 0 371.418 2.609 20 0 FFADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1Cl ZINC000542093289 517375764 /nfs/dbraw/zinc/37/57/64/517375764.db2.gz JBEYEEFJXKLVDT-UHFFFAOYSA-N -2 0 357.771 2.943 20 0 FFADRL CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C)c3)cc12 ZINC000545829729 517384503 /nfs/dbraw/zinc/38/45/03/517384503.db2.gz RWFNBSRQNPVXFC-UHFFFAOYSA-N -2 0 361.379 2.593 20 0 FFADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000520627818 517462072 /nfs/dbraw/zinc/46/20/72/517462072.db2.gz YGIWFZYDXSIJGU-UHFFFAOYSA-N -2 0 369.420 2.732 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2ccc(Br)o2)cccc1C(=O)[O-] ZINC000546071925 517527564 /nfs/dbraw/zinc/52/75/64/517527564.db2.gz DOTPRVNWHPTEJF-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1 ZINC000516345413 517668013 /nfs/dbraw/zinc/66/80/13/517668013.db2.gz DNIACYIHBDAZQT-UHFFFAOYSA-N -2 0 355.799 2.864 20 0 FFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c1C ZINC000543165459 517941653 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FFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000573944210 518912754 /nfs/dbraw/zinc/91/27/54/518912754.db2.gz WCGOAGXBMIEKGS-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000579953743 518936613 /nfs/dbraw/zinc/93/66/13/518936613.db2.gz GYZISFMRBVJULS-DTWKUNHWSA-N -2 0 369.361 2.940 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2C(=O)[O-])cn1 ZINC000589435885 519002722 /nfs/dbraw/zinc/00/27/22/519002722.db2.gz LNCHQXANOWVLKY-UHFFFAOYSA-N -2 0 351.428 2.700 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)oc21 ZINC000574435144 519154212 /nfs/dbraw/zinc/15/42/12/519154212.db2.gz GSTJKGBFDJZDQB-UHFFFAOYSA-N -2 0 362.363 2.595 20 0 FFADRL O=C([O-])Cc1cccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000583729431 519401034 /nfs/dbraw/zinc/40/10/34/519401034.db2.gz GPBUGLZXUJTEGR-UHFFFAOYSA-N -2 0 355.325 2.596 20 0 FFADRL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccoc1 ZINC000575110792 519505483 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365.407 2.820 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)cc(C(=O)[O-])c1C ZINC000471117058 514759924 /nfs/dbraw/zinc/75/99/24/514759924.db2.gz RZGZUDIYKVULGZ-UHFFFAOYSA-N -2 0 363.439 2.890 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)cc(C(=O)[O-])c1C ZINC000475824525 514824397 /nfs/dbraw/zinc/82/43/97/514824397.db2.gz DSLJACBSNLCSHD-UHFFFAOYSA-N -2 0 363.439 2.791 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)c1 ZINC000475823990 514824852 /nfs/dbraw/zinc/82/48/52/514824852.db2.gz BKIXZBKSHZABQH-UHFFFAOYSA-N -2 0 367.402 2.622 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc(CCC(=O)[O-])ccc2OC)cc1 ZINC000484961205 514856248 /nfs/dbraw/zinc/85/62/48/514856248.db2.gz JXHDUDAHIBGNHT-UHFFFAOYSA-N -2 0 365.407 2.522 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1 ZINC000462103540 514885705 /nfs/dbraw/zinc/88/57/05/514885705.db2.gz PIBISMUOXMZSCX-UHFFFAOYSA-N -2 0 361.297 2.910 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000485060928 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FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1 ZINC000474388387 516026204 /nfs/dbraw/zinc/02/62/04/516026204.db2.gz DUJSFOISZYGXJW-UHFFFAOYSA-N -2 0 357.334 2.830 20 0 FFADRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccco1 ZINC000479204044 516106752 /nfs/dbraw/zinc/10/67/52/516106752.db2.gz ZAFUFZCIVYMFHU-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000479266544 516131514 /nfs/dbraw/zinc/13/15/14/516131514.db2.gz OOMUVUYZDGZGIP-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C(=O)[O-])c1 ZINC000496086312 516233249 /nfs/dbraw/zinc/23/32/49/516233249.db2.gz DHWMNSGWMKAIBF-UHFFFAOYSA-N -2 0 363.391 2.755 20 0 FFADRL O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1cccc(Cl)c1[O-] ZINC000517644177 516395634 /nfs/dbraw/zinc/39/56/34/516395634.db2.gz AHJSFXWQKIPFOU-UHFFFAOYSA-N -2 0 353.827 2.965 20 0 FFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000547545584 516399726 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RXCUWCBSMBHYME-UHFFFAOYSA-N -2 0 362.607 2.745 20 0 FFADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000589938802 519109510 /nfs/dbraw/zinc/10/95/10/519109510.db2.gz KMJQVRUSBDPELJ-UHFFFAOYSA-N -2 0 354.409 2.514 20 0 FFADRL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000572092423 519437726 /nfs/dbraw/zinc/43/77/26/519437726.db2.gz QCGCABFRXDRNGN-NSHDSACASA-N -2 0 353.362 2.662 20 0 FFADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000572257240 519523154 /nfs/dbraw/zinc/52/31/54/519523154.db2.gz JGPUSHBIXVNBDW-UHFFFAOYSA-N -2 0 351.428 2.525 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1Cl ZINC000608341834 519938485 /nfs/dbraw/zinc/93/84/85/519938485.db2.gz FDYKPVGLCBMDIM-UHFFFAOYSA-N -2 0 353.787 2.506 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)cc1C(=O)[O-] ZINC000614841052 521165731 /nfs/dbraw/zinc/16/57/31/521165731.db2.gz IEZMSSJPEQRRSG-UHFFFAOYSA-N -2 0 364.423 2.846 20 0 FFADRL 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O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000910186677 981846954 /nfs/dbraw/zinc/84/69/54/981846954.db2.gz UXAZIJFHLRZNAV-IRXDYDNUSA-N -2 0 353.374 2.744 20 0 FFADRL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC001594919452 982455491 /nfs/dbraw/zinc/45/54/91/982455491.db2.gz AGVITPXCSGINBE-WRWORJQWSA-N -2 0 357.325 2.779 20 0 FFADRL CC[C@H](C)C[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001594950397 982659734 /nfs/dbraw/zinc/65/97/34/982659734.db2.gz YLHLRKFZYXNBGX-GWCFXTLKSA-N -2 0 365.817 2.851 20 0 FFADRL CCCc1cnc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC001596081557 983395871 /nfs/dbraw/zinc/39/58/71/983395871.db2.gz CHKQWGHUESEEHK-RMKNXTFCSA-N -2 0 352.437 2.994 20 0 FFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)s1 ZINC001596089596 983413500 /nfs/dbraw/zinc/41/35/00/983413500.db2.gz JSRZDGYTIQJSLV-UHFFFAOYSA-N -2 0 372.443 2.971 20 0 FFADRL CCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)c1 ZINC001596949074 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FFADRL O=P([O-])([O-])OCCNC(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC001157796007 1003441494 /nfs/dbraw/zinc/44/14/94/1003441494.db2.gz QRKNEYSLLMIEMD-UHFFFAOYSA-N -2 0 370.598 2.502 20 0 FFADRL Cn1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)n1 ZINC001196060701 1003645374 /nfs/dbraw/zinc/64/53/74/1003645374.db2.gz OCSBQXGNGPDKPQ-UHFFFAOYSA-N -2 0 357.391 2.586 20 0 FFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)on1 ZINC001192106762 1004054751 /nfs/dbraw/zinc/05/47/51/1004054751.db2.gz QFJUARRMABFAPQ-UHFFFAOYSA-N -2 0 352.412 2.790 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3nnsc32)cc1 ZINC001192140610 1004079152 /nfs/dbraw/zinc/07/91/52/1004079152.db2.gz CQXYPGAZYJSNDU-UHFFFAOYSA-N -2 0 363.420 2.509 20 0 FFADRL CCOc1ccc(S(=O)(=O)Nc2ccnc(Cl)c2C)cc1C(=O)[O-] ZINC001192609171 1004214669 /nfs/dbraw/zinc/21/46/69/1004214669.db2.gz UPSSPYDOTKMRHV-UHFFFAOYSA-N -2 0 370.814 2.941 20 0 FFADRL Cc1cc(C)c(NC(=O)c2ccc(F)c(F)c2[O-])c(S(=O)(=O)[O-])c1 ZINC001192810763 1004284586 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O=C(Nc1cn2c(cccc2Cl)n1)c1ccccc1OP(=O)([O-])[O-] ZINC001189871971 1007317545 /nfs/dbraw/zinc/31/75/45/1007317545.db2.gz QVEZOYJVPCRJJD-UHFFFAOYSA-N -2 0 367.685 2.712 20 0 FFADRL Cc1ccc(CCCO)c(NC(=O)c2ccccc2OP(=O)([O-])[O-])c1 ZINC001189888702 1007358408 /nfs/dbraw/zinc/35/84/08/1007358408.db2.gz KHDCSKDVDWWQQJ-UHFFFAOYSA-N -2 0 365.322 2.644 20 0 FFADRL CC(C)(NC(=O)c1ccccc1OP(=O)([O-])[O-])c1cccc(F)c1 ZINC001189899506 1007366787 /nfs/dbraw/zinc/36/67/87/1007366787.db2.gz DCNSLGPXPRPTAB-UHFFFAOYSA-N -2 0 353.286 2.962 20 0 FFADRL C[C@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC(C)(C)C1 ZINC001189933029 1007376978 /nfs/dbraw/zinc/37/69/78/1007376978.db2.gz GRSPEDSJBQRFFF-GXFFZTMASA-N -2 0 369.439 2.576 20 0 FFADRL Cc1cccc(C)c1Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001173875256 1012995978 /nfs/dbraw/zinc/99/59/78/1012995978.db2.gz RUQVISUMIGRTKK-UHFFFAOYSA-N -2 0 357.409 2.540 20 0 FFADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000680808659 1018186664 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511857833 /nfs/dbraw/zinc/85/78/33/511857833.db2.gz JZLZBKMECNJJJJ-UHFFFAOYSA-N -2 0 364.423 2.930 20 0 FFADRL O=C([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000326973670 511867395 /nfs/dbraw/zinc/86/73/95/511867395.db2.gz MYOQLGQUDORJAP-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(F)c1 ZINC000327276984 511872293 /nfs/dbraw/zinc/87/22/93/511872293.db2.gz HZXBWRSOVNHUBG-UHFFFAOYSA-N -2 0 366.370 2.592 20 0 FFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000327247367 511872349 /nfs/dbraw/zinc/87/23/49/511872349.db2.gz OAEQSEKWZSMLMN-UHFFFAOYSA-N -2 0 367.354 2.501 20 0 FFADRL Cc1ncc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)s1 ZINC000281958280 512026663 /nfs/dbraw/zinc/02/66/63/512026663.db2.gz KDUVHLZCQIFHOU-UHFFFAOYSA-N -2 0 356.425 2.738 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)cc(C(=O)[O-])c1C ZINC000378279491 512673373 /nfs/dbraw/zinc/67/33/73/512673373.db2.gz IDBZKUUQLFVBOR-UHFFFAOYSA-N -2 0 372.406 2.588 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1C(=O)[O-] ZINC000436025103 513738996 /nfs/dbraw/zinc/73/89/96/513738996.db2.gz UQQZHTYUZLHDJV-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000430974963 513797532 /nfs/dbraw/zinc/79/75/32/513797532.db2.gz GYBQFBGSZQEDPE-UHFFFAOYSA-N -2 0 367.251 2.881 20 0 FFADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000436612053 513918320 /nfs/dbraw/zinc/91/83/20/513918320.db2.gz XPSMBIDNORISGE-UHFFFAOYSA-N -2 0 367.398 2.945 20 0 FFADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1C ZINC000436649447 513931023 /nfs/dbraw/zinc/93/10/23/513931023.db2.gz SKQFBXHAQYYVBA-JTQLQIEISA-N -2 0 367.427 2.676 20 0 FFADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436780548 513977222 /nfs/dbraw/zinc/97/72/22/513977222.db2.gz DMYVZODAACBKTR-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL COCc1nc(=NC(=O)c2cc(OCc3ccccc3)ccc2[O-])s[n-]1 ZINC000436836994 514002374 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2.511 20 0 FFADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438772999 514439897 /nfs/dbraw/zinc/43/98/97/514439897.db2.gz REYOKHQGAZAYDC-UHFFFAOYSA-N -2 0 366.370 2.592 20 0 FFADRL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cc12 ZINC000438776254 514440230 /nfs/dbraw/zinc/44/02/30/514440230.db2.gz IEBVEKIOSBJSMK-UHFFFAOYSA-N -2 0 367.770 2.684 20 0 FFADRL CC(C)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000424391301 514470886 /nfs/dbraw/zinc/47/08/86/514470886.db2.gz MNFRQNOBIHVHLL-QMMMGPOBSA-N -2 0 355.790 2.643 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)ccc1C(=O)[O-] ZINC000489393265 514828407 /nfs/dbraw/zinc/82/84/07/514828407.db2.gz YKNDIDMMZBXTRO-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000462104765 514885149 /nfs/dbraw/zinc/88/51/49/514885149.db2.gz SZWFGWIJWXOISM-UHFFFAOYSA-N -2 0 373.333 2.796 20 0 FFADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000485252806 514973171 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FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2sccc2C)c(C(=O)[O-])c1 ZINC000525009196 516894866 /nfs/dbraw/zinc/89/48/66/516894866.db2.gz YKSMVKQAQMLALW-UHFFFAOYSA-N -2 0 357.409 2.573 20 0 FFADRL Cn1ncc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1C(=O)[O-] ZINC000551946467 516978506 /nfs/dbraw/zinc/97/85/06/516978506.db2.gz WJSSPQWZOHFEMH-UHFFFAOYSA-N -2 0 357.391 2.586 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1C(=O)[O-] ZINC000519397404 516986567 /nfs/dbraw/zinc/98/65/67/516986567.db2.gz DRDGLCGSKOEDAZ-UHFFFAOYSA-N -2 0 365.436 2.530 20 0 FFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000519581747 517058230 /nfs/dbraw/zinc/05/82/30/517058230.db2.gz MGCYULGLEXCKLZ-UHFFFAOYSA-N -2 0 355.334 2.866 20 0 FFADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000562781145 517393761 /nfs/dbraw/zinc/39/37/61/517393761.db2.gz UKPUDXFFJIDZFE-JTQLQIEISA-N -2 0 367.402 2.727 20 0 FFADRL Cc1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1C(=O)[O-] ZINC000522652145 518142068 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20 0 FFADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cccc(F)c3)nc2n1 ZINC000738345694 600102426 /nfs/dbraw/zinc/10/24/26/600102426.db2.gz QAQJBZMUIFREAZ-UHFFFAOYSA-N -2 0 367.383 2.638 20 0 FFADRL Cc1cccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000738746203 600102515 /nfs/dbraw/zinc/10/25/15/600102515.db2.gz GBQAVUPLUAXJMK-UHFFFAOYSA-N -2 0 363.420 2.807 20 0 FFADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000740120786 600104434 /nfs/dbraw/zinc/10/44/34/600104434.db2.gz MKXQWTDVYUXNDW-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c1C(=O)[O-] ZINC000325013721 600104819 /nfs/dbraw/zinc/10/48/19/600104819.db2.gz CPBMTHYLPHEHES-UHFFFAOYSA-N -2 0 352.412 2.770 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(OC(F)F)c1 ZINC000740154452 600237916 /nfs/dbraw/zinc/23/79/16/600237916.db2.gz BLGBKPXXVINYNL-UHFFFAOYSA-N -2 0 361.297 2.926 20 0 FFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000740147034 600361157 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O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000672786540 733554209 /nfs/dbraw/zinc/55/42/09/733554209.db2.gz BAURXVKVYWNJGJ-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC000685902484 734351009 /nfs/dbraw/zinc/35/10/09/734351009.db2.gz UXNRUVWZURVPRQ-UHFFFAOYSA-N -2 0 364.301 2.809 20 0 FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000742231338 735213110 /nfs/dbraw/zinc/21/31/10/735213110.db2.gz SIMNFOCDNHVOEU-UHFFFAOYSA-N -2 0 374.777 2.772 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)nn1C ZINC000747794068 735591544 /nfs/dbraw/zinc/59/15/44/735591544.db2.gz BZSNKPSQCFHYHD-UHFFFAOYSA-N -2 0 364.210 2.534 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1F ZINC000749141322 735697249 /nfs/dbraw/zinc/69/72/49/735697249.db2.gz DYQYJQNTWIUFGO-UHFFFAOYSA-N -2 0 351.355 2.568 20 0 FFADRL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000749145187 735698435 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1013656207 /nfs/dbraw/zinc/65/62/07/1013656207.db2.gz GZDFOBBUOKWNQX-UHFFFAOYSA-N -2 0 367.155 2.993 20 0 FFADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n(CC2CCOCC2)n1 ZINC001176238566 1013656260 /nfs/dbraw/zinc/65/62/60/1013656260.db2.gz QSSFKIRZKWDDOC-UHFFFAOYSA-N -2 0 359.382 2.758 20 0 FFADRL COc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Br)cn1 ZINC001176240630 1013657573 /nfs/dbraw/zinc/65/75/73/1013657573.db2.gz ZIXCIBBTHRAESD-UHFFFAOYSA-N -2 0 367.155 2.993 20 0 FFADRL CC1(C)C(=O)NCc2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc21 ZINC001176245162 1013659289 /nfs/dbraw/zinc/65/92/89/1013659289.db2.gz VPDVJLVMESLGLS-UHFFFAOYSA-N -2 0 354.362 2.734 20 0 FFADRL O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)Cc2ccccc21 ZINC000327509549 968049550 /nfs/dbraw/zinc/04/95/50/968049550.db2.gz MBTNLJOMIWUFRP-LLVKDONJSA-N -2 0 351.280 2.634 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2cn(-c3ccccc3)nc2C)cc1C(=O)[O-] ZINC000510119593 968359500 /nfs/dbraw/zinc/35/95/00/968359500.db2.gz XVYLKJZFGCGMQW-UHFFFAOYSA-N -2 0 374.422 2.501 20 0 FFADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)cc1 ZINC000321233319 970754441 /nfs/dbraw/zinc/75/44/41/970754441.db2.gz BYFRVBZQRRGRKF-FPYGCLRLSA-N -2 0 350.421 2.919 20 0 FFADRL O=C([O-])Cc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001606320461 973737767 /nfs/dbraw/zinc/73/77/67/973737767.db2.gz CKBLOCILSHPHLW-UHFFFAOYSA-N -2 0 373.315 2.736 20 0 FFADRL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001591942184 976466864 /nfs/dbraw/zinc/46/68/64/976466864.db2.gz DKHOKQHQXNSBBE-UHFFFAOYSA-N -2 0 353.421 2.688 20 0 FFADRL C[C@@](CC(=O)[O-])([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C1CC1 ZINC001592335000 977780559 /nfs/dbraw/zinc/78/05/59/977780559.db2.gz VFDRVCCZWXISBM-ZDUSSCGKSA-N -2 0 353.774 2.540 20 0 FFADRL C[C@@H](Cc1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)o1)CC(C)(C)C ZINC001592912674 979880136 /nfs/dbraw/zinc/88/01/36/979880136.db2.gz KOWLMKSHHAOEIH-VIFPVBQESA-N -2 0 370.431 2.512 20 0 FFADRL CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001595566167 981459460 /nfs/dbraw/zinc/45/94/60/981459460.db2.gz AVMPGODFBNNOPE-QMMMGPOBSA-N -2 0 367.345 2.645 20 0 FFADRL CC(C)N(CC(=O)[O-])C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000908913071 981565248 /nfs/dbraw/zinc/56/52/48/981565248.db2.gz GCMDPABOWSXMHR-UHFFFAOYSA-N -2 0 371.315 2.532 20 0 FFADRL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001595663492 982085072 /nfs/dbraw/zinc/08/50/72/982085072.db2.gz YMFDLTCTCZSSKG-UHFFFAOYSA-N -2 0 373.446 2.864 20 0 FFADRL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595666460 982100911 /nfs/dbraw/zinc/10/09/11/982100911.db2.gz JSLWLXLYUGODFW-ZDUSSCGKSA-N -2 0 355.456 2.937 20 0 FFADRL CCCCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])C(=O)[O-] ZINC001595687468 982179546 /nfs/dbraw/zinc/17/95/46/982179546.db2.gz QXWCKALTAVIYPS-SNVBAGLBSA-N -2 0 369.361 2.723 20 0 FFADRL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC001594919451 982455201 /nfs/dbraw/zinc/45/52/01/982455201.db2.gz AGVITPXCSGINBE-RDDDGLTNSA-N -2 0 357.325 2.779 20 0 FFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2sc(CC)cc2C(=O)[O-])o1 ZINC001596725973 984981011 /nfs/dbraw/zinc/98/10/11/984981011.db2.gz DPRHGNIVVYXYGZ-UHFFFAOYSA-N -2 0 373.408 2.579 20 0 FFADRL O=P([O-])([O-])OCCNc1nnc(N2CCCCCC2)c2ccccc21 ZINC001168589944 985663097 /nfs/dbraw/zinc/66/30/97/985663097.db2.gz RMIZPZRMFBXFMJ-UHFFFAOYSA-N -2 0 366.358 2.531 20 0 FFADRL CCOC(=O)c1sc2nc(NCCOP(=O)([O-])[O-])cc(C)c2c1C ZINC001168589981 985663845 /nfs/dbraw/zinc/66/38/45/985663845.db2.gz SDFZGGGLSVBQFT-UHFFFAOYSA-N -2 0 374.355 2.611 20 0 FFADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)[C@H](C)c1ccc(F)cc1 ZINC001599959662 985758075 /nfs/dbraw/zinc/75/80/75/985758075.db2.gz CHXNEVFKOXPBGW-SNVBAGLBSA-N -2 0 353.371 2.519 20 0 FFADRL CCOc1cc(C(=O)Nc2nc(Cl)ccc2O)ccc1OCC(=O)[O-] ZINC001597011047 986355388 /nfs/dbraw/zinc/35/53/88/986355388.db2.gz MQMMFODWGWPZFP-UHFFFAOYSA-N -2 0 366.757 2.555 20 0 FFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001597129750 986840974 /nfs/dbraw/zinc/84/09/74/986840974.db2.gz ACQUBSDJEAFURD-UHFFFAOYSA-N -2 0 369.370 2.732 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC)c(C)c1 ZINC001597137275 986876108 /nfs/dbraw/zinc/87/61/08/986876108.db2.gz IDJSXESYVDSVHH-UHFFFAOYSA-N -2 0 365.407 2.901 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001599807981 988287401 /nfs/dbraw/zinc/28/74/01/988287401.db2.gz YYZRNGPRLIZOTG-UHFFFAOYSA-N -2 0 367.404 2.606 20 0 FFADRL CSc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccccc2[O-])cc1 ZINC001599812561 988362933 /nfs/dbraw/zinc/36/29/33/988362933.db2.gz ZMLRVVZOAJCYII-CYBMUJFWSA-N -2 0 367.448 2.608 20 0 FFADRL CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(O)c1 ZINC001590298022 989726553 /nfs/dbraw/zinc/72/65/53/989726553.db2.gz YRIZTGXSHMJRKV-SFHVURJKSA-N -2 0 364.398 2.676 20 0 FFADRL CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1(C)C ZINC001590914439 990897871 /nfs/dbraw/zinc/89/78/71/990897871.db2.gz HFQZYXZDQQNULG-CABCVRRESA-N -2 0 365.451 2.569 20 0 FFADRL COc1cccc2c(N3C[C@H](C(=O)[O-])C4(CC(C(=O)[O-])C4)C3)cc(C)nc12 ZINC001599689810 991050419 /nfs/dbraw/zinc/05/04/19/991050419.db2.gz UFVITRNWAZRSIY-HHGQXBFMSA-N -2 0 370.405 2.554 20 0 FFADRL CN(Cc1nc(=O)c2sccc2[n-]1)c1ncc(C(=O)[O-])cc1Cl ZINC001598538292 992867975 /nfs/dbraw/zinc/86/79/75/992867975.db2.gz NFEKGKZUIUZTOX-UHFFFAOYSA-N -2 0 350.787 2.780 20 0 FFADRL C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593112622 993787746 /nfs/dbraw/zinc/78/77/46/993787746.db2.gz OKZLXDLRPHISEW-KPXOXKRLSA-N -2 0 352.362 2.781 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC)cc1Cl ZINC001599616695 994024847 /nfs/dbraw/zinc/02/48/47/994024847.db2.gz KLBMNQKVPCQVAQ-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL COc1ccc2c(c1)onc2[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001599624883 994134649 /nfs/dbraw/zinc/13/46/49/994134649.db2.gz BZTMCXMFVQOJAS-UHFFFAOYSA-N -2 0 362.363 2.644 20 0 FFADRL COCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1O ZINC001599296205 997146385 /nfs/dbraw/zinc/14/63/85/997146385.db2.gz FOGKDNKLEMALHM-UHFFFAOYSA-N -2 0 371.798 2.691 20 0 FFADRL CON(C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])[C@@H](C)CC(=O)[O-] ZINC001599313243 997452866 /nfs/dbraw/zinc/45/28/66/997452866.db2.gz KDNSUXYWRRMUHD-LBPRGKRZSA-N -2 0 361.398 2.568 20 0 FFADRL CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C(=O)[O-])C1 ZINC001599110740 997562571 /nfs/dbraw/zinc/56/25/71/997562571.db2.gz RBNXNFZDEWUAEF-UDZFHETQSA-N -2 0 364.423 2.505 20 0 FFADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1cccc(CCC(=O)[O-])c1 ZINC001599426042 997677894 /nfs/dbraw/zinc/67/78/94/997677894.db2.gz WSRKEXHRBQUZCX-UHFFFAOYSA-N -2 0 371.361 2.791 20 0 FFADRL CC1=C(C(=O)[O-])[C@H](c2ccc3c(c2)CCC3)NC(=O)N1CCCCC(=O)[O-] ZINC001594098648 998085596 /nfs/dbraw/zinc/08/55/96/998085596.db2.gz XOOWZGZCJKGQPN-SFHVURJKSA-N -2 0 372.421 2.855 20 0 FFADRL COc1cc(S(=O)(=O)Nc2cccc(-c3cn[nH]c3)c2)ccc1C(=O)[O-] ZINC001599459236 998241813 /nfs/dbraw/zinc/24/18/13/998241813.db2.gz HTPPSUBEEFDVDD-UHFFFAOYSA-N -2 0 373.390 2.584 20 0 FFADRL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001594158190 998583450 /nfs/dbraw/zinc/58/34/50/998583450.db2.gz DOQWWSDMIHWTHT-POYBYMJQSA-N -2 0 362.607 2.743 20 0 FFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1C(=O)[O-] ZINC001598983042 998675573 /nfs/dbraw/zinc/67/55/73/998675573.db2.gz YAYMKKDRIDAFSO-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COc1cc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)ccc1OCC(=O)[O-] ZINC000740616907 999677994 /nfs/dbraw/zinc/67/79/94/999677994.db2.gz WXRIUEMVGZEGCA-FNORWQNLSA-N -2 0 372.377 2.941 20 0 FFADRL O=P([O-])([O-])c1ccc(NC2CCN(c3ncccc3Cl)CC2)cc1 ZINC001169171118 1000030626 /nfs/dbraw/zinc/03/06/26/1000030626.db2.gz HEYPYVSMTZNOCH-UHFFFAOYSA-N -2 0 367.773 2.619 20 0 FFADRL O=C(Nc1nccc(Br)c1[O-])c1cc(F)c(F)c([O-])c1F ZINC001169383370 1000044357 /nfs/dbraw/zinc/04/43/57/1000044357.db2.gz UPGQHKRQKNNIPS-UHFFFAOYSA-N -2 0 363.089 2.925 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)no1 ZINC001185876546 1003112521 /nfs/dbraw/zinc/11/25/21/1003112521.db2.gz TTWXKHWDLGAOQQ-UHFFFAOYSA-N -2 0 350.274 2.501 20 0 FFADRL COc1cc(Cl)cnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185877692 1003113487 /nfs/dbraw/zinc/11/34/87/1003113487.db2.gz RSGSKMHVSCGKFZ-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1-c1ccccn1 ZINC001185879776 1003115970 /nfs/dbraw/zinc/11/59/70/1003115970.db2.gz TYVHHRNQBSEJNG-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)n2)ccc1F ZINC001186150726 1003199657 /nfs/dbraw/zinc/19/96/57/1003199657.db2.gz LAOVCEGNNNZUQN-UHFFFAOYSA-N -2 0 350.371 2.987 20 0 FFADRL CCc1ccc(OC)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001192728613 1004246650 /nfs/dbraw/zinc/24/66/50/1004246650.db2.gz IHTSSYBUEYYWRT-UHFFFAOYSA-N -2 0 365.407 2.522 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)c(Cl)cc1F ZINC001194034000 1004634616 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FFADRL O=[P@@]([O-])(O)CCOC(COc1ccccc1)COc1ccccc1 ZINC001224608143 1033950977 /nfs/dbraw/zinc/95/09/77/1033950977.db2.gz ZZUWCVNWRNJBJQ-UHFFFAOYSA-N -2 0 352.323 2.707 20 0 FFADRL CC(C)[C@H](C)Oc1cc(S(=O)(=O)[O-])cc2cccc(S(=O)(=O)[O-])c21 ZINC001227555022 1035608361 /nfs/dbraw/zinc/60/83/61/1035608361.db2.gz NYBGLWWVABAWQX-JTQLQIEISA-N -2 0 374.436 2.757 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3O)s2)cc1OC ZINC001257000189 1038675857 /nfs/dbraw/zinc/67/58/57/1038675857.db2.gz HPNVMAUNPODJTL-UHFFFAOYSA-N -2 0 366.420 2.820 20 0 FFADRL O=c1cc(-c2cc(F)c(F)cc2F)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245914446 1039146619 /nfs/dbraw/zinc/14/66/19/1039146619.db2.gz QKUYNSLUSMSBNQ-UHFFFAOYSA-N -2 0 370.308 2.909 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2CC2CC2)c(F)cc1Cl ZINC001259213872 1039808154 /nfs/dbraw/zinc/80/81/54/1039808154.db2.gz QLBPKNXXACNFHF-UHFFFAOYSA-N -2 0 373.793 2.585 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cnc1F ZINC001259213535 1039808208 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ZINC001244091722 1045078776 /nfs/dbraw/zinc/07/87/76/1045078776.db2.gz KGGGVLUXCJXVQM-UHFFFAOYSA-N -2 0 363.345 2.928 20 0 FFADRL O=C(c1cccc(F)c1[O-])N1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC001586605148 1079655934 /nfs/dbraw/zinc/65/59/34/1079655934.db2.gz AXSVAXAIJZPWAA-UHFFFAOYSA-N -2 0 364.804 2.848 20 0 FFADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(s1)CCCCCC2 ZINC001589451537 1080541084 /nfs/dbraw/zinc/54/10/84/1080541084.db2.gz IUKVJRCBDUHDNW-WDEREUQCSA-N -2 0 373.496 2.576 20 0 FFADRL CC(C)(C)C[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001589751162 1080702018 /nfs/dbraw/zinc/70/20/18/1080702018.db2.gz AGNDBJHZOYNRCH-LBPRGKRZSA-N -2 0 365.817 2.851 20 0 FFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000280883980 256580191 /nfs/dbraw/zinc/58/01/91/256580191.db2.gz DOYHZPLXHQXZII-UHFFFAOYSA-N -2 0 357.819 2.925 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000042791618 506667491 /nfs/dbraw/zinc/66/74/91/506667491.db2.gz 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COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000047318158 507307205 /nfs/dbraw/zinc/30/72/05/507307205.db2.gz QVPLDUCJYLJPPD-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c2n[nH]cc21 ZINC000063635422 507753039 /nfs/dbraw/zinc/75/30/39/507753039.db2.gz QOQBRDFEUWRAGR-UHFFFAOYSA-N -2 0 359.407 2.689 20 0 FFADRL Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(Cc3nn[nH]n3)cc2)c1C ZINC000122937993 508610171 /nfs/dbraw/zinc/61/01/71/508610171.db2.gz SIWGHAVROTXTMP-UHFFFAOYSA-N -2 0 371.466 2.825 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)cc1C(=O)[O-] ZINC000191803059 509189347 /nfs/dbraw/zinc/18/93/47/509189347.db2.gz DGJZRBQWRILGDG-UHFFFAOYSA-N -2 0 367.185 2.970 20 0 FFADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000298846798 511429187 /nfs/dbraw/zinc/42/91/87/511429187.db2.gz ISZDXIFTHOMSGS-UHFFFAOYSA-N -2 0 371.436 2.581 20 0 FFADRL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000319626306 511811200 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CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001592003594 976663100 /nfs/dbraw/zinc/66/31/00/976663100.db2.gz ZUBFVEMNKDVRPX-UHFFFAOYSA-N -2 0 359.450 2.750 20 0 FFADRL CC(C)n1cccc1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001592142642 976989902 /nfs/dbraw/zinc/98/99/02/976989902.db2.gz JVVXCPSSBYMTJE-UHFFFAOYSA-N -2 0 370.814 2.539 20 0 FFADRL C[C@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001592211235 977261201 /nfs/dbraw/zinc/26/12/01/977261201.db2.gz KPYBHVPOCRITMO-HYDMIIDASA-N -2 0 374.212 2.503 20 0 FFADRL C[C@@](CC(=O)[O-])(NC(=O)c1cc(Br)c(F)cc1[O-])C1CC1 ZINC001592304619 977666140 /nfs/dbraw/zinc/66/61/40/977666140.db2.gz SECBKHHSURZAEH-AWEZNQCLSA-N -2 0 360.179 2.667 20 0 FFADRL C[C@@H](CN(Cc1ccccc1)C(=O)c1coc(/C=C\C(=O)[O-])c1)C(=O)[O-] ZINC001592604839 978547688 /nfs/dbraw/zinc/54/76/88/978547688.db2.gz ORTSMZMKJAHERD-WSROAFLRSA-N -2 0 357.362 2.741 20 0 FFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)cc1C ZINC001595024158 979125460 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O=P([O-])([O-])OCCNc1nccc2nc(-c3ccccc3Cl)[nH]c21 ZINC001168585717 985626629 /nfs/dbraw/zinc/62/66/29/985626629.db2.gz DBSQBLSYYNAEBZ-UHFFFAOYSA-N -2 0 368.717 2.800 20 0 FFADRL CCOc1ccc(-c2nc(CC(=O)[N-]OCCCC(=O)[O-])cs2)cc1 ZINC001597049287 986518958 /nfs/dbraw/zinc/51/89/58/986518958.db2.gz ILPCMXMHIDHSFJ-UHFFFAOYSA-N -2 0 364.423 2.664 20 0 FFADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC001594721116 987202521 /nfs/dbraw/zinc/20/25/21/987202521.db2.gz PPWAIIVYSJTUIP-UHFFFAOYSA-N -2 0 363.391 2.792 20 0 FFADRL CCSCc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001597268409 987309491 /nfs/dbraw/zinc/30/94/91/987309491.db2.gz YOSVMYPLLZLKMF-UHFFFAOYSA-N -2 0 356.425 2.735 20 0 FFADRL Cc1[n-]n(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)c2)c(=O)c1CC(=O)[O-] ZINC000657202973 987810216 /nfs/dbraw/zinc/81/02/16/987810216.db2.gz FMJZMMBHNGKXDJ-NSHDSACASA-N -2 0 366.299 2.909 20 0 FFADRL CCc1cc(Cl)c(Cl)cc1OS(=O)(=O)c1cc(C(=O)[O-])n[n-]1 ZINC001597478098 987956212 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FFADRL CC(C)(CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC001590621826 990304000 /nfs/dbraw/zinc/30/40/00/990304000.db2.gz PHUKFVFBLOTYBE-UHFFFAOYSA-N -2 0 367.448 2.619 20 0 FFADRL COc1cccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)c1OC ZINC001599684456 990964939 /nfs/dbraw/zinc/96/49/39/990964939.db2.gz NLVZXVWTBINXOM-UHFFFAOYSA-N -2 0 365.407 2.522 20 0 FFADRL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)cc1 ZINC001590989576 991201464 /nfs/dbraw/zinc/20/14/64/991201464.db2.gz LXXVQJRSNJJWKU-GFCCVEGCSA-N -2 0 372.830 2.744 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc(C(=O)[O-])c1 ZINC000507629652 992554929 /nfs/dbraw/zinc/55/49/29/992554929.db2.gz KTIPTPVYTGVQRF-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL COc1ccc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c(C(=O)[O-])c1 ZINC001599596449 993754396 /nfs/dbraw/zinc/75/43/96/993754396.db2.gz CCXCAVBHFDJPEC-UHFFFAOYSA-N -2 0 371.324 2.676 20 0 FFADRL COc1ccc2c(c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1)CCC2 ZINC001599633442 994252231 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ZINC001242161457 1044691344 /nfs/dbraw/zinc/69/13/44/1044691344.db2.gz AMJPAOSUZHURTQ-UHFFFAOYSA-N -2 0 372.308 2.714 20 0 FFADRL COc1ccc(-n2cccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2=O)cc1 ZINC001242163816 1044692713 /nfs/dbraw/zinc/69/27/13/1044692713.db2.gz MVJMCNFRLPJYCS-UHFFFAOYSA-N -2 0 365.341 2.910 20 0 FFADRL O=C(c1cc(-c2ccc(P(=O)([O-])[O-])cc2)ccc1F)N1CCCCC1 ZINC001243301819 1044910239 /nfs/dbraw/zinc/91/02/39/1044910239.db2.gz ZRTPIZWOZJLFSJ-UHFFFAOYSA-N -2 0 363.325 2.922 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC001323949208 1045786842 /nfs/dbraw/zinc/78/68/42/1045786842.db2.gz RRFQZMGIHPCIGQ-UHFFFAOYSA-N -2 0 364.301 2.541 20 0 FFADRL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(Cl)c(O)c1 ZINC001557252759 1075827858 /nfs/dbraw/zinc/82/78/58/1075827858.db2.gz VCRCEOIIDJAHCD-KWQFWETISA-N -2 0 364.751 2.717 20 0 FFADRL CC(C)C[C@H](CNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC001588858247 1080220007 /nfs/dbraw/zinc/22/00/07/1080220007.db2.gz IKOXNLIBSVAJIR-LLVKDONJSA-N -2 0 365.817 2.708 20 0 FFADRL CC(=O)c1[nH]c(CC(=O)Nc2cc(F)cc(Cl)c2[O-])c(C(=O)[O-])c1C ZINC001589244716 1080443985 /nfs/dbraw/zinc/44/39/85/1080443985.db2.gz WNRWMDOUQLOKOA-UHFFFAOYSA-N -2 0 368.748 2.903 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)c1Cl ZINC000290511376 257337381 /nfs/dbraw/zinc/33/73/81/257337381.db2.gz LTUFEZGAWHVHQS-UHFFFAOYSA-N -2 0 369.830 2.758 20 0 FFADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)no1 ZINC000367003900 512291079 /nfs/dbraw/zinc/29/10/79/512291079.db2.gz QCSWUSSDEDKXOO-UHFFFAOYSA-N -2 0 373.390 2.852 20 0 FFADRL Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000067124062 506763742 /nfs/dbraw/zinc/76/37/42/506763742.db2.gz WIHIOWMYDWOSIR-UHFFFAOYSA-N -2 0 363.391 2.511 20 0 FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C)ccc2C)c(C(=O)[O-])c1 ZINC000060362420 507531012 /nfs/dbraw/zinc/53/10/12/507531012.db2.gz CVELZRQIMPFRAH-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1C ZINC000060707138 507574810 /nfs/dbraw/zinc/57/48/10/507574810.db2.gz DWHYKUYVXRVMPW-UHFFFAOYSA-N -2 0 368.342 2.850 20 0 FFADRL Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000122935599 508610297 /nfs/dbraw/zinc/61/02/97/508610297.db2.gz KFLOFKYXRNTTST-UHFFFAOYSA-N -2 0 363.830 2.553 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2c(C)nn(CC)c2C)cc1C(=O)[O-] ZINC000137564703 508760058 /nfs/dbraw/zinc/76/00/58/508760058.db2.gz OGDVJZWNZUJJCR-UHFFFAOYSA-N -2 0 351.428 2.581 20 0 FFADRL Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151438534 509017088 /nfs/dbraw/zinc/01/70/88/509017088.db2.gz GWXMSQRKLWILCF-UHFFFAOYSA-N -2 0 365.176 2.891 20 0 FFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000184648056 510438664 /nfs/dbraw/zinc/43/86/64/510438664.db2.gz CCVIWMRPDVTBRP-VIFPVBQESA-N -2 0 354.453 2.824 20 0 FFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000181670961 510532926 /nfs/dbraw/zinc/53/29/26/510532926.db2.gz ZZBPFDSICXEHOV-UHFFFAOYSA-N -2 0 365.455 2.963 20 0 FFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000181682640 510537287 /nfs/dbraw/zinc/53/72/87/510537287.db2.gz KLOBKMASPLVIFX-UHFFFAOYSA-N -2 0 369.418 2.794 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000316656504 511802089 /nfs/dbraw/zinc/80/20/89/511802089.db2.gz IOOCMXBTTLYILJ-UHFFFAOYSA-N -2 0 351.327 2.973 20 0 FFADRL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000321150820 511818570 /nfs/dbraw/zinc/81/85/70/511818570.db2.gz GAJPTYHZSGAVMR-DTWKUNHWSA-N -2 0 353.362 2.662 20 0 FFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000321751496 511821997 /nfs/dbraw/zinc/82/19/97/511821997.db2.gz XOUSBKCNMNBCHK-UHFFFAOYSA-N -2 0 357.819 2.925 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(OC)c1 ZINC000325067139 511843575 /nfs/dbraw/zinc/84/35/75/511843575.db2.gz UZYKFWDFCOBZJD-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1O ZINC000326065918 511854597 /nfs/dbraw/zinc/85/45/97/511854597.db2.gz FHWSTNWZVBDEDO-UHFFFAOYSA-N -2 0 361.297 2.910 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1C(=O)[O-] ZINC000326655171 511861424 /nfs/dbraw/zinc/86/14/24/511861424.db2.gz BZHFASYJBFAARJ-UHFFFAOYSA-N -2 0 365.407 2.901 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)sc1C(=O)[O-] ZINC000378610521 512848193 /nfs/dbraw/zinc/84/81/93/512848193.db2.gz WMVBPBNRFVCADZ-UHFFFAOYSA-N -2 0 367.404 2.521 20 0 FFADRL CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC000392745965 512927899 /nfs/dbraw/zinc/92/78/99/512927899.db2.gz WGTVEJUGKFJAQD-UHFFFAOYSA-N -2 0 363.391 2.755 20 0 FFADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(F)c1 ZINC000392886138 512929555 /nfs/dbraw/zinc/92/95/55/512929555.db2.gz BHTCVYKUFJNZFN-UHFFFAOYSA-N -2 0 366.370 2.592 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)nn1C(C)C ZINC000421171410 513133248 /nfs/dbraw/zinc/13/32/48/513133248.db2.gz GUWXPUCEMFRWQG-UHFFFAOYSA-N -2 0 363.439 2.760 20 0 FFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c(O)c1 ZINC000436479516 513866448 /nfs/dbraw/zinc/86/64/48/513866448.db2.gz WBNKSWPPMFBNFE-UHFFFAOYSA-N -2 0 371.798 2.729 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1 ZINC000436580812 513904691 /nfs/dbraw/zinc/90/46/91/513904691.db2.gz XLBCKIIOTFMBPE-UHFFFAOYSA-N -2 0 360.391 2.691 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000436625205 513922089 /nfs/dbraw/zinc/92/20/89/513922089.db2.gz CJTDUWINYKMPLU-UHFFFAOYSA-N -2 0 364.404 2.809 20 0 FFADRL COCCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000432200093 514123316 /nfs/dbraw/zinc/12/33/16/514123316.db2.gz DVLTZVUYYMLEJG-UHFFFAOYSA-N -2 0 369.395 2.502 20 0 FFADRL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(F)c(F)c1[O-] ZINC000421147182 514503359 /nfs/dbraw/zinc/50/33/59/514503359.db2.gz DFTIUKJQOWBUQM-GFCCVEGCSA-N -2 0 357.378 2.670 20 0 FFADRL COc1ccc(Cl)cc1N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433486936 514503696 /nfs/dbraw/zinc/50/36/96/514503696.db2.gz HKIIYGLFNLQARZ-UHFFFAOYSA-N -2 0 371.798 2.578 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000466287973 514598334 /nfs/dbraw/zinc/59/83/34/514598334.db2.gz KOYRIFXYWUTZDX-UHFFFAOYSA-N -2 0 357.391 2.884 20 0 FFADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000466476574 514657957 /nfs/dbraw/zinc/65/79/57/514657957.db2.gz ZIZXWTXVMHKEAK-UHFFFAOYSA-N -2 0 371.418 2.934 20 0 FFADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471135624 514766174 /nfs/dbraw/zinc/76/61/74/514766174.db2.gz CYFOHXRNZQCDAT-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c[nH]1 ZINC000508466151 514787782 /nfs/dbraw/zinc/78/77/82/514787782.db2.gz JKCSWCVUAROJFF-UHFFFAOYSA-N -2 0 359.363 2.701 20 0 FFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)s1 ZINC000484791868 514796980 /nfs/dbraw/zinc/79/69/80/514796980.db2.gz CKPKLJYZRBAQLQ-UHFFFAOYSA-N -2 0 351.409 2.740 20 0 FFADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1C ZINC000480240647 514893138 /nfs/dbraw/zinc/89/31/38/514893138.db2.gz LLZSTUYPMGGAEI-SNVBAGLBSA-N -2 0 367.427 2.670 20 0 FFADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)c(C(=O)[O-])c1 ZINC000485205968 514954785 /nfs/dbraw/zinc/95/47/85/514954785.db2.gz JBUPFKOCMAEOEF-UHFFFAOYSA-N -2 0 363.439 2.626 20 0 FFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000485274751 514982158 /nfs/dbraw/zinc/98/21/58/514982158.db2.gz LUUVOIFYEMAORR-UHFFFAOYSA-N -2 0 367.354 2.501 20 0 FFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000509076125 515012796 /nfs/dbraw/zinc/01/27/96/515012796.db2.gz XGLMLTKIYKOEJH-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000485482696 515055610 /nfs/dbraw/zinc/05/56/10/515055610.db2.gz YJIUVJOWULXLGQ-UHFFFAOYSA-N -2 0 368.798 2.662 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000471985890 515077972 /nfs/dbraw/zinc/07/79/72/515077972.db2.gz UUISQKGXMCVSAT-UHFFFAOYSA-N -2 0 351.764 2.745 20 0 FFADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1 ZINC000509398079 515156530 /nfs/dbraw/zinc/15/65/30/515156530.db2.gz ZNRKOLLSMVNHIF-UHFFFAOYSA-N -2 0 363.391 2.623 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c(F)c1 ZINC000504506765 515317476 /nfs/dbraw/zinc/31/74/76/515317476.db2.gz DNIASLGKXYZNSA-UHFFFAOYSA-N -2 0 353.371 2.788 20 0 FFADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000504508007 515319241 /nfs/dbraw/zinc/31/92/41/515319241.db2.gz QWWDYMKARJKZNN-UHFFFAOYSA-N -2 0 355.799 2.994 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(C(=O)[O-])c1 ZINC000504642701 515346525 /nfs/dbraw/zinc/34/65/25/515346525.db2.gz RQQQZEHDPSTINA-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CSc1cccc(N(C)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000469350257 515780369 /nfs/dbraw/zinc/78/03/69/515780369.db2.gz WXDLRLLQWRMSOS-UHFFFAOYSA-N -2 0 356.407 2.743 20 0 FFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(CCC(=O)[O-])c3)cc2=O)cc1 ZINC000473957976 515821403 /nfs/dbraw/zinc/82/14/03/515821403.db2.gz INJJLBYEPBWFDT-UHFFFAOYSA-N -2 0 365.389 2.744 20 0 FFADRL COc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c(C)cc1C ZINC000478573093 515875674 /nfs/dbraw/zinc/87/56/74/515875674.db2.gz OFMXIJBKEFQRMU-UHFFFAOYSA-N -2 0 354.366 2.622 20 0 FFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])s1 ZINC000478695104 515928432 /nfs/dbraw/zinc/92/84/32/515928432.db2.gz IQCLFQHBDUXUMU-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL CCN(c1cccc(C)c1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000511722684 516012854 /nfs/dbraw/zinc/01/28/54/516012854.db2.gz MLYHZIKSEDPOEG-UHFFFAOYSA-N -2 0 363.391 2.607 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c(C(=O)[O-])c1 ZINC000496067921 516231728 /nfs/dbraw/zinc/23/17/28/516231728.db2.gz FAMYMXAXKODDTE-UHFFFAOYSA-N -2 0 363.391 2.519 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc(OC)c1C(C)C ZINC000484161210 516307654 /nfs/dbraw/zinc/30/76/54/516307654.db2.gz GVEWRYYEMAOSNI-UHFFFAOYSA-N -2 0 368.411 2.654 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)c(C)c1C(=O)[O-] ZINC000512739727 516343581 /nfs/dbraw/zinc/34/35/81/516343581.db2.gz VUZBMUKYQMRNHY-UHFFFAOYSA-N -2 0 363.391 2.574 20 0 FFADRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC2CCCC2)C(=O)[O-])cc1C ZINC000547573058 516415056 /nfs/dbraw/zinc/41/50/56/516415056.db2.gz JGKVYZYQJFZLFO-ZDUSSCGKSA-N -2 0 370.427 2.523 20 0 FFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535894339 516545076 /nfs/dbraw/zinc/54/50/76/516545076.db2.gz QFGRLENGKLPAKZ-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000544094458 516577787 /nfs/dbraw/zinc/57/77/87/516577787.db2.gz URHUINAYNCSOMS-SECBINFHSA-N -2 0 355.441 2.723 20 0 FFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1 ZINC000547870532 516611301 /nfs/dbraw/zinc/61/13/01/516611301.db2.gz COZYKFWNSNBXBG-UHFFFAOYSA-N -3 0 369.782 2.846 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000513458332 516632611 /nfs/dbraw/zinc/63/26/11/516632611.db2.gz PVUGRTVLADOYOC-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513814412 516765122 /nfs/dbraw/zinc/76/51/22/516765122.db2.gz YGONETAPLBJUIO-UHFFFAOYSA-N -2 0 367.427 2.750 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCCC2=O ZINC000540942533 516790684 /nfs/dbraw/zinc/79/06/84/516790684.db2.gz YTXBJWQBQFKAMH-UHFFFAOYSA-N -2 0 367.404 2.521 20 0 FFADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1C(=O)[O-] ZINC000548196473 516821100 /nfs/dbraw/zinc/82/11/00/516821100.db2.gz FLMDHGQVCLODFV-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000548562863 517056032 /nfs/dbraw/zinc/05/60/32/517056032.db2.gz IGYNDZXNESPVKW-GXFFZTMASA-N -2 0 365.373 2.806 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC000537838974 517369274 /nfs/dbraw/zinc/36/92/74/517369274.db2.gz MNFLHGPVVKZGAP-UHFFFAOYSA-N -2 0 358.375 2.748 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nn1[C@H](C)C1CC1 ZINC000542233944 517452537 /nfs/dbraw/zinc/45/25/37/517452537.db2.gz XRYZPMIEIWFTGD-SECBINFHSA-N -2 0 353.400 2.563 20 0 FFADRL Cc1scnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000530140910 517587651 /nfs/dbraw/zinc/58/76/51/517587651.db2.gz RGGCQJOKNBLNOQ-UHFFFAOYSA-N -2 0 352.437 2.829 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c(C(=O)[O-])c1 ZINC000542735854 517708970 /nfs/dbraw/zinc/70/89/70/517708970.db2.gz SXEMYEOTNNKINN-UHFFFAOYSA-N -2 0 367.427 2.588 20 0 FFADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2O1 ZINC000530488758 517806118 /nfs/dbraw/zinc/80/61/18/517806118.db2.gz YHLUBNWGQAUESX-UHFFFAOYSA-N -2 0 353.421 2.961 20 0 FFADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000543162223 517939558 /nfs/dbraw/zinc/93/95/58/517939558.db2.gz YQQKTXCLZIRAGM-UHFFFAOYSA-N -2 0 352.416 2.524 20 0 FFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C ZINC000539398504 518027689 /nfs/dbraw/zinc/02/76/89/518027689.db2.gz JJBITDRGXMEFRO-LLVKDONJSA-N -2 0 351.428 2.590 20 0 FFADRL CCOc1cc(CC(=O)[O-])c(-c2ccc(C(=O)[O-])cc2CO)cc1OCC ZINC000569941362 518367357 /nfs/dbraw/zinc/36/73/57/518367357.db2.gz KVQVISAKHHWNBT-UHFFFAOYSA-N -2 0 374.389 2.969 20 0 FFADRL O=C([O-])c1ncsc1S(=O)(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000582842741 518948555 /nfs/dbraw/zinc/94/85/55/518948555.db2.gz JSVSHLDDWZYGNW-UHFFFAOYSA-N -2 0 372.855 2.505 20 0 FFADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2C(=O)[O-])n1 ZINC000589435889 519003243 /nfs/dbraw/zinc/00/32/43/519003243.db2.gz LXLUSDMWHUHDDC-UHFFFAOYSA-N -2 0 373.390 2.711 20 0 FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000608342454 519938241 /nfs/dbraw/zinc/93/82/41/519938241.db2.gz RVQROMOSRPBHGA-UHFFFAOYSA-N -2 0 369.370 2.732 20 0 FFADRL 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FFADRL COc1cnc2c(cccc2[N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198782749 1004726984 /nfs/dbraw/zinc/72/69/84/1004726984.db2.gz OLBXBCJMUXRSJJ-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL O=C([O-])c1ccccc1S(=O)(=O)Nc1c(O)cccc1Br ZINC001198778153 1004736393 /nfs/dbraw/zinc/73/63/93/1004736393.db2.gz AYKHKHZKGKRECF-UHFFFAOYSA-N -2 0 372.196 2.654 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3cnoc3c2)c(F)cc1F ZINC001195235875 1004913530 /nfs/dbraw/zinc/91/35/30/1004913530.db2.gz DDGJKOCVVOQSLZ-UHFFFAOYSA-N -2 0 354.290 2.605 20 0 FFADRL COc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC001187548631 1006139463 /nfs/dbraw/zinc/13/94/63/1006139463.db2.gz UCANWHSVIGVHGJ-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3=O)c1 ZINC001187579386 1006162274 /nfs/dbraw/zinc/16/22/74/1006162274.db2.gz ZDTXFEAVXKMUHX-UHFFFAOYSA-N -2 0 367.766 2.509 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2O)c1 ZINC001187580866 1006162465 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20 0 FFADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2C)o1 ZINC000178813107 510787170 /nfs/dbraw/zinc/78/71/70/510787170.db2.gz OHAATNXGOLCSQC-UHFFFAOYSA-N -2 0 361.379 2.786 20 0 FFADRL COc1cccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c1O ZINC000360680374 510936754 /nfs/dbraw/zinc/93/67/54/510936754.db2.gz LFVZIJIYOHOEPA-UHFFFAOYSA-N -2 0 355.390 2.842 20 0 FFADRL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000312840175 511787671 /nfs/dbraw/zinc/78/76/71/511787671.db2.gz VXHSCRXIIOKNOW-GSVOUGTGSA-N -2 0 372.173 2.739 20 0 FFADRL Cc1cc(C(=O)N2CC[C@H](C)c3cccc(O)c32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000274407117 511824270 /nfs/dbraw/zinc/82/42/70/511824270.db2.gz UHUQWKFOFRJFMY-VIFPVBQESA-N -2 0 366.377 2.604 20 0 FFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1O ZINC000325650156 511850326 /nfs/dbraw/zinc/85/03/26/511850326.db2.gz HANCLLAHILFINK-UHFFFAOYSA-N -2 0 361.297 2.910 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c(F)c1 ZINC000325723160 511850491 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20 0 FFADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000436611948 513916659 /nfs/dbraw/zinc/91/66/59/513916659.db2.gz WTNQBXCUWZXMPT-UHFFFAOYSA-N -2 0 363.391 2.792 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000436787897 513982204 /nfs/dbraw/zinc/98/22/04/513982204.db2.gz ZPJGDCHBJYFWPT-UHFFFAOYSA-N -2 0 373.333 2.801 20 0 FFADRL Cn1ccnc1-c1cc(=NC(=O)c2cc(Cl)c3ccccc3c2[O-])[nH][n-]1 ZINC000436989749 514066067 /nfs/dbraw/zinc/06/60/67/514066067.db2.gz PDZRSJCNSVYYBO-UHFFFAOYSA-N -2 0 367.796 3.575 20 0 FFADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3O)cc2)co1 ZINC000436994556 514067201 /nfs/dbraw/zinc/06/72/01/514067201.db2.gz NCWRKRKLVHJNQX-UHFFFAOYSA-N -2 0 374.374 2.855 20 0 FFADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000437006201 514073695 /nfs/dbraw/zinc/07/36/95/514073695.db2.gz ZPSGLCPRPQJKIZ-UHFFFAOYSA-N -2 0 363.391 2.792 20 0 FFADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000438764962 514437960 /nfs/dbraw/zinc/43/79/60/514437960.db2.gz MCFSWAIFZMOHAV-UHFFFAOYSA-N -3 0 369.420 2.609 20 0 FFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421143907 514502966 /nfs/dbraw/zinc/50/29/66/514502966.db2.gz AZYDSDTWQFBSGW-CQSZACIVSA-N -2 0 373.471 2.515 20 0 FFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000479494601 514605108 /nfs/dbraw/zinc/60/51/08/514605108.db2.gz DRSSTWNPOAWRLT-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000479502654 514608776 /nfs/dbraw/zinc/60/87/76/514608776.db2.gz UFZAKLQZKREHDW-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000462102632 514885170 /nfs/dbraw/zinc/88/51/70/514885170.db2.gz OLMIPWXERPMATG-UHFFFAOYSA-N -2 0 369.370 2.732 20 0 FFADRL CCCCn1ncc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C(C)C ZINC000480231069 514890407 /nfs/dbraw/zinc/89/04/07/514890407.db2.gz QWVLVFSFOAOMMF-UHFFFAOYSA-N -2 0 354.432 2.634 20 0 FFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1C ZINC000485123667 514924044 /nfs/dbraw/zinc/92/40/44/514924044.db2.gz KPFCUPBRFWHDMG-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1C(=O)[O-] ZINC000471580055 514938752 /nfs/dbraw/zinc/93/87/52/514938752.db2.gz ZROOIEANQPRCJH-UHFFFAOYSA-N -2 0 360.391 2.686 20 0 FFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000485219714 514962598 /nfs/dbraw/zinc/96/25/98/514962598.db2.gz CDYXPQYFCCFJDW-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(F)cc2C)c1OC ZINC000467319823 514976135 /nfs/dbraw/zinc/97/61/35/514976135.db2.gz OCRNFLQPHGAOAO-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)ccc1C(=O)[O-] ZINC000476743652 515180702 /nfs/dbraw/zinc/18/07/02/515180702.db2.gz UYYYPNWQTUMQHH-UHFFFAOYSA-N -2 0 371.418 2.739 20 0 FFADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000500312104 515662957 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CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512725370 516337072 /nfs/dbraw/zinc/33/70/72/516337072.db2.gz MUVQUJLXNHAYKZ-UHFFFAOYSA-N -2 0 353.371 2.901 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000523959287 516620557 /nfs/dbraw/zinc/62/05/57/516620557.db2.gz XMOKONUXFWIBHO-UHFFFAOYSA-N -2 0 363.391 2.755 20 0 FFADRL COc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2F)c(C(=O)[O-])c1 ZINC000547931872 516638903 /nfs/dbraw/zinc/63/89/03/516638903.db2.gz MIIHINFVDTVGOG-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL CO[C@H](C)c1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000525335290 517011532 /nfs/dbraw/zinc/01/15/32/517011532.db2.gz VGNDQPDBYLYPGB-SNVBAGLBSA-N -2 0 354.366 2.704 20 0 FFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000548524109 517034049 /nfs/dbraw/zinc/03/40/49/517034049.db2.gz CYNNEHHFDKVKJP-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000548591430 517069874 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C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000578445992 518214831 /nfs/dbraw/zinc/21/48/31/518214831.db2.gz BQLHVINNPZFZOC-YUMQZZPRSA-N -2 0 371.352 2.801 20 0 FFADRL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000563960395 518248079 /nfs/dbraw/zinc/24/80/79/518248079.db2.gz OXAUUJXUBOWXEK-ZETCQYMHSA-N -2 0 357.325 2.555 20 0 FFADRL O=C([O-])c1cc(F)cc(NS(=O)(=O)CCOCC2CCCC2)c1F ZINC000581873264 518479324 /nfs/dbraw/zinc/47/93/24/518479324.db2.gz DNSALJGPJMCEKY-UHFFFAOYSA-N -2 0 363.382 2.612 20 0 FFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC000584808833 518486366 /nfs/dbraw/zinc/48/63/66/518486366.db2.gz LXRGNQCSLSAUIX-UHFFFAOYSA-N -2 0 354.453 2.832 20 0 FFADRL COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000585732622 518578878 /nfs/dbraw/zinc/57/88/78/518578878.db2.gz FYLHNFQKCWAPES-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL Cc1c(F)cc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)cc1C(=O)[O-] ZINC000564969789 518722216 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FFADRL CC(C)COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000604856527 520693506 /nfs/dbraw/zinc/69/35/06/520693506.db2.gz NMKRBDCMINAORV-UHFFFAOYSA-N -2 0 350.396 2.615 20 0 FFADRL CCO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C)C1CC1 ZINC000629288667 522087956 /nfs/dbraw/zinc/08/79/56/522087956.db2.gz FCRJBLWRDJARIK-MRXNPFEDSA-N -2 0 371.455 2.729 20 0 FFADRL CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000436474994 569966391 /nfs/dbraw/zinc/96/63/91/569966391.db2.gz BBAQAKAABCRTMV-UHFFFAOYSA-N -2 0 354.815 2.548 20 0 FFADRL N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(Cl)c1 ZINC000321599531 598223813 /nfs/dbraw/zinc/22/38/13/598223813.db2.gz FLDFNUHUJZQKKQ-UHFFFAOYSA-N -2 0 350.783 2.640 20 0 FFADRL C[C@H](SCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)c1cccs1 ZINC000736191088 599524108 /nfs/dbraw/zinc/52/41/08/599524108.db2.gz VTKZYRXXFNDSIZ-QMMMGPOBSA-N -2 0 359.440 2.671 20 0 FFADRL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000737258168 599793163 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Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000090166833 507913048 /nfs/dbraw/zinc/91/30/48/507913048.db2.gz OCFNZOVYKGBHKR-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000126818591 509133432 /nfs/dbraw/zinc/13/34/32/509133432.db2.gz CNZHNQAVGGYGQL-UHFFFAOYSA-N -2 0 350.396 2.976 20 0 FFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181219335 510308250 /nfs/dbraw/zinc/30/82/50/510308250.db2.gz WJEAXKOWJHPCCA-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)ccc1C(=O)[O-] ZINC000181256149 510326294 /nfs/dbraw/zinc/32/62/94/510326294.db2.gz VGEWLXQEKKNNMH-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000184648042 510438965 /nfs/dbraw/zinc/43/89/65/510438965.db2.gz CCVIWMRPDVTBRP-SECBINFHSA-N -2 0 354.453 2.824 20 0 FFADRL Cc1nc(C=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)[nH]c(=O)c1CCC(=O)[O-] ZINC000282226398 510893704 /nfs/dbraw/zinc/89/37/04/510893704.db2.gz RRJLRNSIEUJOMP-WMADIVHISA-N -2 0 372.377 2.530 20 0 FFADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000280843145 511625278 /nfs/dbraw/zinc/62/52/78/511625278.db2.gz AVEBRNIPTQIBHP-UHFFFAOYSA-N -2 0 363.439 2.531 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)cs1 ZINC000366007418 511783433 /nfs/dbraw/zinc/78/34/33/511783433.db2.gz OZQIJSKCRFQNEI-UHFFFAOYSA-N -2 0 367.383 2.572 20 0 FFADRL Cc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1F ZINC000313242409 511789777 /nfs/dbraw/zinc/78/97/77/511789777.db2.gz YKFJSPSHGVVKGO-UHFFFAOYSA-N -2 0 354.315 2.541 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)sc1C(=O)[O-] ZINC000319993208 511812675 /nfs/dbraw/zinc/81/26/75/511812675.db2.gz GLQDHYJMJRENMC-UHFFFAOYSA-N -3 0 355.393 2.562 20 0 FFADRL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000325794074 511852136 /nfs/dbraw/zinc/85/21/36/511852136.db2.gz GYQVSIDJRHZFNA-UHFFFAOYSA-N -2 0 354.359 2.507 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000327291676 511871521 /nfs/dbraw/zinc/87/15/21/511871521.db2.gz JBPBNQQJILEBNK-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000327632350 511879572 /nfs/dbraw/zinc/87/95/72/511879572.db2.gz QPSUWZDRJGRBKV-UHFFFAOYSA-N -2 0 359.363 2.544 20 0 FFADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000392213564 512922328 /nfs/dbraw/zinc/92/23/28/512922328.db2.gz FJWQSUMQTAGWDG-UHFFFAOYSA-N -2 0 368.798 2.797 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2 ZINC000392267193 512923871 /nfs/dbraw/zinc/92/38/71/512923871.db2.gz PNVIQXCMGZYUNA-JTQLQIEISA-N -2 0 360.391 2.550 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000392963931 512930603 /nfs/dbraw/zinc/93/06/03/512930603.db2.gz JOPCRJQXUKGNSD-UHFFFAOYSA-N -2 0 366.395 2.682 20 0 FFADRL CN(CCCC(=O)[O-])C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000417748530 513193257 /nfs/dbraw/zinc/19/32/57/513193257.db2.gz IMBHHSDDGXPQAZ-UHFFFAOYSA-N -2 0 362.455 3.193 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cn1 ZINC000446622803 513298921 /nfs/dbraw/zinc/29/89/21/513298921.db2.gz FZIPFUQULOPIJP-UHFFFAOYSA-N -2 0 370.452 2.948 20 0 FFADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000446635994 513301575 /nfs/dbraw/zinc/30/15/75/513301575.db2.gz ZWGARGZNTGERKG-UHFFFAOYSA-N -2 0 357.409 2.818 20 0 FFADRL COc1cccc(-c2nc(=NC(=O)c3ccc(OC)cc3[O-])s[n-]2)c1 ZINC000436720353 513956630 /nfs/dbraw/zinc/95/66/30/513956630.db2.gz DHYOWGCERWCHCC-UHFFFAOYSA-N -2 0 357.391 2.602 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000436782973 513977299 /nfs/dbraw/zinc/97/72/99/513977299.db2.gz DZRNRNHMJXBBDA-UHFFFAOYSA-N -2 0 358.375 2.748 20 0 FFADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000437000030 514070458 /nfs/dbraw/zinc/07/04/58/514070458.db2.gz HNHAWLXCDWVWBN-UHFFFAOYSA-N -2 0 363.391 2.711 20 0 FFADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)s1 ZINC000489043485 514683386 /nfs/dbraw/zinc/68/33/86/514683386.db2.gz QOJZCBLJDDNYLF-UHFFFAOYSA-N -2 0 358.416 2.960 20 0 FFADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000475838587 514830396 /nfs/dbraw/zinc/83/03/96/514830396.db2.gz XSWACXQRXXLBKT-UHFFFAOYSA-N -2 0 363.420 2.946 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1C(F)(F)F ZINC000484928057 514847591 /nfs/dbraw/zinc/84/75/91/514847591.db2.gz TUIXMIPJXKJOSN-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)s1 ZINC000484965809 514857694 /nfs/dbraw/zinc/85/76/94/514857694.db2.gz BXJIVOLJJQYORV-UHFFFAOYSA-N -2 0 369.420 2.581 20 0 FFADRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000471577158 514937238 /nfs/dbraw/zinc/93/72/38/514937238.db2.gz IFHQHWYNHXPZMN-LBPRGKRZSA-N -2 0 374.422 2.628 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1F ZINC000489740930 514957092 /nfs/dbraw/zinc/95/70/92/514957092.db2.gz HPPCEXJPDMLVND-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])CCCC3)c1 ZINC000509376071 515148022 /nfs/dbraw/zinc/14/80/22/515148022.db2.gz NIYPMTDRNOUSMR-UHFFFAOYSA-N -2 0 363.439 2.842 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000499279666 515267078 /nfs/dbraw/zinc/26/70/78/515267078.db2.gz COOIAWBQOWTYKP-UHFFFAOYSA-N -2 0 350.377 2.902 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cnn1CC(C)C ZINC000499282766 515269119 /nfs/dbraw/zinc/26/91/19/515269119.db2.gz GDDCOWKMLBHTSU-UHFFFAOYSA-N -2 0 365.455 2.963 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000504507230 515317921 /nfs/dbraw/zinc/31/79/21/515317921.db2.gz GTCHGLGHRCAXNM-UHFFFAOYSA-N -2 0 355.437 2.965 20 0 FFADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000477099555 515327024 /nfs/dbraw/zinc/32/70/24/515327024.db2.gz ZOODGHAGWSGMQR-UHFFFAOYSA-N -2 0 374.827 2.859 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000481470041 515338235 /nfs/dbraw/zinc/33/82/35/515338235.db2.gz XJLNRRXTWBPXDE-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000481621762 515407275 /nfs/dbraw/zinc/40/72/75/515407275.db2.gz OIOGMIICDXCZPM-UHFFFAOYSA-N -2 0 369.418 2.876 20 0 FFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000477430089 515454098 /nfs/dbraw/zinc/45/40/98/515454098.db2.gz FMCWTYVXSUGIBH-UHFFFAOYSA-N -2 0 373.789 2.916 20 0 FFADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000469123305 515680630 /nfs/dbraw/zinc/68/06/30/515680630.db2.gz XMJPYPKMLJKERW-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000487419359 515855161 /nfs/dbraw/zinc/85/51/61/515855161.db2.gz KDDMXSAVKFVWEE-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000506664171 515946992 /nfs/dbraw/zinc/94/69/92/515946992.db2.gz YZLFFFWJWWMTDD-UHFFFAOYSA-N -2 0 365.407 2.649 20 0 FFADRL CCc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)s1 ZINC000460768292 516244403 /nfs/dbraw/zinc/24/44/03/516244403.db2.gz LLYJPJFHFVSQMB-UHFFFAOYSA-N -2 0 370.452 2.992 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1 ZINC000470445110 516251378 /nfs/dbraw/zinc/25/13/78/516251378.db2.gz JLHOMYGXIJLREL-UHFFFAOYSA-N -2 0 367.326 2.988 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c2ncccc12 ZINC000547434469 516334694 /nfs/dbraw/zinc/33/46/94/516334694.db2.gz WZLJOBGMXJYDIS-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1 ZINC000512761554 516350679 /nfs/dbraw/zinc/35/06/79/516350679.db2.gz DFXCGYCUIKVFBA-UHFFFAOYSA-N -2 0 353.371 2.956 20 0 FFADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000547548555 516402010 /nfs/dbraw/zinc/40/20/10/516402010.db2.gz QEKYKCQUTWGJOP-UHFFFAOYSA-N -2 0 352.318 2.644 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000547555591 516404777 /nfs/dbraw/zinc/40/47/77/516404777.db2.gz ZJXQCHFLTJHWTD-UHFFFAOYSA-N -2 0 368.342 2.850 20 0 FFADRL CCc1cccc(S(=O)(=O)[N-]c2c(OC)cc(OC)cc2C(=O)[O-])c1 ZINC000547553911 516404918 /nfs/dbraw/zinc/40/49/18/516404918.db2.gz IWSQBFRCYFNXBX-UHFFFAOYSA-N -2 0 365.407 2.765 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(F)cc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000547557030 516406585 /nfs/dbraw/zinc/40/65/85/516406585.db2.gz HYJPBAYHCGGZDU-UHFFFAOYSA-N -2 0 368.342 2.850 20 0 FFADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cn1 ZINC000544098171 516579677 /nfs/dbraw/zinc/57/96/77/516579677.db2.gz HEYCNGUCBUORGR-LBPRGKRZSA-N -2 0 351.428 2.843 20 0 FFADRL O=C([O-])[C@@H](CC[N-]S(=O)(=O)c1c(F)cccc1F)Cc1ccccc1 ZINC000548028048 516715765 /nfs/dbraw/zinc/71/57/65/516715765.db2.gz CUGSZZGLASQHEA-ZDUSSCGKSA-N -2 0 369.389 2.577 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1C(=O)[O-] ZINC000513816458 516766755 /nfs/dbraw/zinc/76/67/55/516766755.db2.gz OGHMJDRBDTXEFY-UHFFFAOYSA-N -2 0 371.798 2.943 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000532099309 516798843 /nfs/dbraw/zinc/79/88/43/516798843.db2.gz WBFKFXXRVFAFIF-UHFFFAOYSA-N -2 0 359.400 2.904 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1-c1ccccc1 ZINC000536658158 516877432 /nfs/dbraw/zinc/87/74/32/516877432.db2.gz RCEVEKICWWCITJ-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL CCCc1ccc([N-]S(=O)(=O)c2c(C)nn(CC)c2C)c(C(=O)[O-])c1 ZINC000525008005 516895696 /nfs/dbraw/zinc/89/56/96/516895696.db2.gz WTJYYWMZTSTDCC-UHFFFAOYSA-N -2 0 365.455 2.971 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])c(F)cc1F ZINC000548535335 517040726 /nfs/dbraw/zinc/04/07/26/517040726.db2.gz RUGXJNYOLSHNIQ-UHFFFAOYSA-N -2 0 370.377 2.838 20 0 FFADRL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000548562862 517056344 /nfs/dbraw/zinc/05/63/44/517056344.db2.gz IGYNDZXNESPVKW-GWCFXTLKSA-N -2 0 365.373 2.806 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)s1 ZINC000533689653 517571227 /nfs/dbraw/zinc/57/12/27/517571227.db2.gz MDLAQJOIINGJJY-UHFFFAOYSA-N -2 0 359.400 2.957 20 0 FFADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000542726731 517705418 /nfs/dbraw/zinc/70/54/18/517705418.db2.gz CHWFUOJZONUXRZ-UHFFFAOYSA-N -2 0 369.782 2.610 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OC(C)(C)C2 ZINC000530382134 517743390 /nfs/dbraw/zinc/74/33/90/517743390.db2.gz MSIHJOUEPULQRO-UHFFFAOYSA-N -2 0 351.380 2.801 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000550219345 517933949 /nfs/dbraw/zinc/93/39/49/517933949.db2.gz LHMQUOIHSRALBT-UHFFFAOYSA-N -2 0 357.334 2.614 20 0 FFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000517180196 518049039 /nfs/dbraw/zinc/04/90/39/518049039.db2.gz ZVIPEUFVUJZQJV-UHFFFAOYSA-N -2 0 367.251 2.881 20 0 FFADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000572736042 518336996 /nfs/dbraw/zinc/33/69/96/518336996.db2.gz ILZXFDNXRLPTBS-UHFFFAOYSA-N -2 0 351.428 2.525 20 0 FFADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000581916866 518500570 /nfs/dbraw/zinc/50/05/70/518500570.db2.gz YMTBEYBELXWFTK-UHFFFAOYSA-N -2 0 363.439 2.920 20 0 FFADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc4[nH]c(=O)oc43)c1)CCC2 ZINC000577032248 518880872 /nfs/dbraw/zinc/88/08/72/518880872.db2.gz KPCIDDNCWNKDRP-UHFFFAOYSA-N -2 0 374.374 2.521 20 0 FFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cn1C ZINC000583008940 519031525 /nfs/dbraw/zinc/03/15/25/519031525.db2.gz SOAZPDCYLLTQLA-LBPRGKRZSA-N -2 0 365.455 2.923 20 0 FFADRL Cc1csc(S(=O)(=O)NC[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000574253621 519063056 /nfs/dbraw/zinc/06/30/56/519063056.db2.gz KRJPGQFCVUUQFV-GFCCVEGCSA-N -2 0 373.883 2.932 20 0 FFADRL O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1ccco1 ZINC000580812676 519370650 /nfs/dbraw/zinc/37/06/50/519370650.db2.gz JXDRMEZCHCUWNQ-NSHDSACASA-N -2 0 364.206 2.561 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000569439152 519548673 /nfs/dbraw/zinc/54/86/73/519548673.db2.gz SRIAGIYEDIYJBD-LLVKDONJSA-N -2 0 363.439 2.842 20 0 FFADRL COc1ccnc2c([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)cccc12 ZINC000569537737 519598102 /nfs/dbraw/zinc/59/81/02/519598102.db2.gz SPNRHTWQMGYAML-UHFFFAOYSA-N -2 0 372.402 2.671 20 0 FFADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cc(F)cc(C(=O)[O-])c3F)cn21 ZINC000569557581 519608623 /nfs/dbraw/zinc/60/86/23/519608623.db2.gz SYZVBAYGECXDRE-QMMMGPOBSA-N -2 0 371.365 2.558 20 0 FFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000614317352 520905890 /nfs/dbraw/zinc/90/58/90/520905890.db2.gz BRLAUALUIWZXHE-UHFFFAOYSA-N -2 0 363.391 2.589 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1C(=O)[O-] ZINC000607102388 521259255 /nfs/dbraw/zinc/25/92/55/521259255.db2.gz RPILEQAOLUOTDT-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC000737029627 599739385 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20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cn3c(cccc3Cl)n2)cc1C(=O)[O-] ZINC001184668696 1002681878 /nfs/dbraw/zinc/68/18/78/1002681878.db2.gz YEEKKVCONGKCMT-UHFFFAOYSA-N -2 0 365.798 2.795 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2P(C)(C)=O)cc1C(=O)[O-] ZINC001184697860 1002685903 /nfs/dbraw/zinc/68/59/03/1002685903.db2.gz YWJQETCHQWVOFL-UHFFFAOYSA-N -2 0 367.363 2.742 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cnn(C)c2)cc1 ZINC001185869160 1003104082 /nfs/dbraw/zinc/10/40/82/1003104082.db2.gz PUEXPYLBBLKUNQ-UHFFFAOYSA-N -2 0 371.418 2.895 20 0 FFADRL Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185878865 1003114636 /nfs/dbraw/zinc/11/46/36/1003114636.db2.gz FWYDUANNSBUEJA-UHFFFAOYSA-N -2 0 363.439 2.799 20 0 FFADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC001196060898 1003647190 /nfs/dbraw/zinc/64/71/90/1003647190.db2.gz RIKFYLXDCDPSPE-UHFFFAOYSA-N -2 0 355.375 2.643 20 0 FFADRL O=C(NCCCC[P@](=O)([O-])O)c1ccc(Oc2ccccc2)nc1 ZINC001192084170 1004042513 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2.726 20 0 FFADRL O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1ncc(F)cc1[O-] ZINC001189501205 1007123451 /nfs/dbraw/zinc/12/34/51/1007123451.db2.gz MFYSZYKLXMGJFL-UHFFFAOYSA-N -2 0 350.293 2.887 20 0 FFADRL CCNc1ccnc(Cl)c1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189870284 1007315326 /nfs/dbraw/zinc/31/53/26/1007315326.db2.gz DNTNXZMYGZDPFC-UHFFFAOYSA-N -2 0 371.717 2.891 20 0 FFADRL O=C(Nc1ccccc1-c1cc[nH]n1)c1ccccc1OP(=O)([O-])[O-] ZINC001189889145 1007358004 /nfs/dbraw/zinc/35/80/04/1007358004.db2.gz PHANTKOLHUESGO-UHFFFAOYSA-N -2 0 359.278 2.801 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc3cccnc32)cn1 ZINC000821107320 1008421789 /nfs/dbraw/zinc/42/17/89/1008421789.db2.gz XARTYSDOVUORLT-UHFFFAOYSA-N -2 0 373.390 2.528 20 0 FFADRL O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000821107553 1008421811 /nfs/dbraw/zinc/42/18/11/1008421811.db2.gz ZXCDYAQJLLAMQE-UHFFFAOYSA-N -2 0 370.386 2.669 20 0 FFADRL Cc1cc(C(=O)N2CC(C)(C)Cc3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000646757179 1012170028 /nfs/dbraw/zinc/17/00/28/1012170028.db2.gz HAWFNDIQDZUJTC-UHFFFAOYSA-N -2 0 364.405 2.974 20 0 FFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000901861502 1019524841 /nfs/dbraw/zinc/52/48/41/1019524841.db2.gz XAEDCDIGSRCCLN-UHFFFAOYSA-N -2 0 374.374 2.849 20 0 FFADRL O=C(CNc1ccc(P(=O)([O-])[O-])cc1)c1cccc(Br)c1 ZINC001162066884 1028418590 /nfs/dbraw/zinc/41/85/90/1028418590.db2.gz JNNXRDKLYIITLP-UHFFFAOYSA-N -2 0 370.139 2.547 20 0 FFADRL O=P([O-])([O-])c1ccc(-c2ccc(CN3CCOCC3)c(Cl)c2)cc1 ZINC001244813884 1038789054 /nfs/dbraw/zinc/78/90/54/1038789054.db2.gz UTKKGMXNOKSYIV-UHFFFAOYSA-N -2 0 367.769 2.642 20 0 FFADRL CCc1ncsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259214164 1039807430 /nfs/dbraw/zinc/80/74/30/1039807430.db2.gz FPWHCZLXSPKSDF-UHFFFAOYSA-N -2 0 364.807 2.997 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(F)c(F)c2)c(F)cc1Cl ZINC001259214179 1039807865 /nfs/dbraw/zinc/80/78/65/1039807865.db2.gz GFAQEJTTYHSAIC-UHFFFAOYSA-N -2 0 366.704 2.651 20 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1040475707 /nfs/dbraw/zinc/47/57/07/1040475707.db2.gz NOCONLWYSGZJGR-UHFFFAOYSA-N -2 0 361.297 2.910 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc3cccnc32)ccc1O ZINC001260399935 1040578391 /nfs/dbraw/zinc/57/83/91/1040578391.db2.gz IMPVQQQNRPXCBM-UHFFFAOYSA-N -2 0 362.338 2.579 20 0 FFADRL Cc1nc(S(=O)(=O)[N-]c2ccc([C@H](C(=O)[O-])C(C)(C)C)cc2)cn1C ZINC001260548067 1040649565 /nfs/dbraw/zinc/64/95/65/1040649565.db2.gz AFANQJISYZNTAU-OAHLLOKOSA-N -2 0 365.455 2.744 20 0 FFADRL CCOc1ccccc1-c1noc(-c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001215453969 1041788997 /nfs/dbraw/zinc/78/89/97/1041788997.db2.gz BNEJBTVPLMYNIW-UHFFFAOYSA-N -2 0 362.363 2.755 20 0 FFADRL Cc1ccc(-c2noc(-c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)n2)cc1 ZINC001216752309 1042114079 /nfs/dbraw/zinc/11/40/79/1042114079.db2.gz YREZFWYEQLCYHI-UHFFFAOYSA-N -2 0 360.347 2.657 20 0 FFADRL O=C([O-])c1ccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)cc1Cl ZINC001241350661 1044505635 /nfs/dbraw/zinc/50/56/35/1044505635.db2.gz RRJCCEYKUDOCGG-UHFFFAOYSA-N 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O=C([O-])CCCCCNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001574868408 1078089358 /nfs/dbraw/zinc/08/93/58/1078089358.db2.gz GWYXXZTYQGSTDH-UHFFFAOYSA-N -2 0 351.790 2.606 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NC[C@@H](C(=O)[O-])C(C)C)n2)c1 ZINC001588969958 1080287439 /nfs/dbraw/zinc/28/74/39/1080287439.db2.gz XCZCUXUEAMKKBE-OAHLLOKOSA-N -2 0 359.426 2.788 20 0 FFADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1C ZINC001589212552 1080422317 /nfs/dbraw/zinc/42/23/17/1080422317.db2.gz YOBXEXNCRLHNFY-UHFFFAOYSA-N -2 0 368.436 2.822 20 0 FFADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC001589493611 1080562471 /nfs/dbraw/zinc/56/24/71/1080562471.db2.gz DRTCKWWQGKGSQE-CYBMUJFWSA-N -2 0 369.483 2.616 20 0 FFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032596972 506269023 /nfs/dbraw/zinc/26/90/23/506269023.db2.gz AJENHODEYOMCIR-UHFFFAOYSA-N -2 0 350.352 2.711 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000057116738 507174588 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CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(F)c2)c(C(=O)[O-])c1 ZINC000392261424 512923320 /nfs/dbraw/zinc/92/33/20/512923320.db2.gz HWPCTFNLLXXMPS-UHFFFAOYSA-N -2 0 366.370 2.592 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)nn1C(C)C ZINC000421180515 513138475 /nfs/dbraw/zinc/13/84/75/513138475.db2.gz GDBKQERLKTWONU-UHFFFAOYSA-N -2 0 351.428 2.888 20 0 FFADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000446648671 513305017 /nfs/dbraw/zinc/30/50/17/513305017.db2.gz PLSIQMCPXMIZJT-UHFFFAOYSA-N -2 0 370.452 2.948 20 0 FFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1OC ZINC000447785284 513567420 /nfs/dbraw/zinc/56/74/20/513567420.db2.gz FFTLIYAGBKZOHF-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1C ZINC000435734527 513672606 /nfs/dbraw/zinc/67/26/06/513672606.db2.gz XLFVUFXXCBIIQI-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL COc1cccc(-c2nc(=NC(=O)c3cc(OC)ccc3[O-])s[n-]2)c1 ZINC000436721401 513956276 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FFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CC3(CCC3)c3ccccc32)c1 ZINC000436976808 514058117 /nfs/dbraw/zinc/05/81/17/514058117.db2.gz ARSJEXAKJNVFNR-UHFFFAOYSA-N -2 0 359.403 2.721 20 0 FFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cc(F)c(F)cc2Cl)c1 ZINC000436995170 514067129 /nfs/dbraw/zinc/06/71/29/514067129.db2.gz PQXUVMBNYUAOGB-UHFFFAOYSA-N -2 0 363.725 2.823 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)ccc1C(=O)[O-] ZINC000432776995 514282614 /nfs/dbraw/zinc/28/26/14/514282614.db2.gz RXTBCTRDGCBNQH-UHFFFAOYSA-N -2 0 373.333 2.796 20 0 FFADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000444683931 514293068 /nfs/dbraw/zinc/29/30/68/514293068.db2.gz GVKHLSUUQJAIDQ-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)sc1C(=O)[O-] ZINC000438805567 514445357 /nfs/dbraw/zinc/44/53/57/514445357.db2.gz AUZFLASKFUGGBK-UHFFFAOYSA-N -2 0 363.420 2.946 20 0 FFADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000439060523 514488060 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CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C ZINC000480204351 514878910 /nfs/dbraw/zinc/87/89/10/514878910.db2.gz SPTCUEYHZUPBEU-VIFPVBQESA-N -2 0 355.391 2.801 20 0 FFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc(C)c2)c1OC ZINC000467323494 514977944 /nfs/dbraw/zinc/97/79/44/514977944.db2.gz QYDFKLBEFHHNMT-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])cs1 ZINC000476410814 515038221 /nfs/dbraw/zinc/03/82/21/515038221.db2.gz WWTNFVBDOLLYPR-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000471971263 515072406 /nfs/dbraw/zinc/07/24/06/515072406.db2.gz UJMSOFZFPCCMIF-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3c2OCCO3)ccc1Cl ZINC000509551760 515229469 /nfs/dbraw/zinc/22/94/69/515229469.db2.gz ALQHMGXJBAVKKS-UHFFFAOYSA-N -2 0 369.782 2.610 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1Cl ZINC000509587089 515246101 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COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1 ZINC000506722669 515964614 /nfs/dbraw/zinc/96/46/14/515964614.db2.gz ZGAVJLNRUDEWDD-UHFFFAOYSA-N -2 0 365.407 2.649 20 0 FFADRL Cc1oncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000507005914 516052599 /nfs/dbraw/zinc/05/25/99/516052599.db2.gz DUWVEPTYDHYVJS-UHFFFAOYSA-N -2 0 350.274 2.501 20 0 FFADRL O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000507400739 516202555 /nfs/dbraw/zinc/20/25/55/516202555.db2.gz HSQMMIGDFQHBAU-KBPBESRZSA-N -2 0 374.418 2.537 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000512735671 516341045 /nfs/dbraw/zinc/34/10/45/516341045.db2.gz ZFQYTRCJGCIBII-UHFFFAOYSA-N -3 0 367.354 2.640 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000547609884 516433532 /nfs/dbraw/zinc/43/35/32/516433532.db2.gz ZIUXRTXGEJLRCQ-UHFFFAOYSA-N -2 0 368.342 2.795 20 0 FFADRL COC[C@@H](C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000547881846 516616618 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COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000537194239 517080153 /nfs/dbraw/zinc/08/01/53/517080153.db2.gz AZMGDNABVSZORQ-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000548768274 517203066 /nfs/dbraw/zinc/20/30/66/517203066.db2.gz XDKOOJZRJNMZBS-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000545445259 517241193 /nfs/dbraw/zinc/24/11/93/517241193.db2.gz YLNHDDNGNNKIPS-UHFFFAOYSA-N -2 0 367.148 2.701 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1C ZINC000520617060 517457536 /nfs/dbraw/zinc/45/75/36/517457536.db2.gz MIMMMQWGRBUGHH-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL CC1(C)COc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc21 ZINC000530141155 517587107 /nfs/dbraw/zinc/58/71/07/517587107.db2.gz CKHOLTKCMFWXLF-UHFFFAOYSA-N -2 0 353.421 2.917 20 0 FFADRL Cc1cc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])ccc1C(=O)[O-] ZINC000560139219 517600922 /nfs/dbraw/zinc/60/09/22/517600922.db2.gz OHLWCYHAUXHLSG-UHFFFAOYSA-N -2 0 355.325 2.976 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)nn(CC)c1C ZINC000530957423 518069669 /nfs/dbraw/zinc/06/96/69/518069669.db2.gz PWGFRERKIQPFAO-UHFFFAOYSA-N -2 0 351.428 2.581 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)s1 ZINC000581465586 518295919 /nfs/dbraw/zinc/29/59/19/518295919.db2.gz KYMFQFPQYAFMHC-UHFFFAOYSA-N -2 0 369.420 2.635 20 0 FFADRL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000575965592 518364465 /nfs/dbraw/zinc/36/44/65/518364465.db2.gz PDLFZASVUDXDMI-ZANVPECISA-N -2 0 365.373 2.806 20 0 FFADRL CCCN(CC(=O)[O-])C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000579592117 518755719 /nfs/dbraw/zinc/75/57/19/518755719.db2.gz DESABJGZRMLPKX-UHFFFAOYSA-N -2 0 350.596 2.745 20 0 FFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])cc1F ZINC000583298197 519174103 /nfs/dbraw/zinc/17/41/03/519174103.db2.gz JBHSXTNWVHGCPI-UHFFFAOYSA-N -2 0 370.377 2.838 20 0 FFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000574951932 519418969 /nfs/dbraw/zinc/41/89/69/519418969.db2.gz RLYJISFFQDNZQH-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL CSc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000583765125 519422549 /nfs/dbraw/zinc/42/25/49/519422549.db2.gz XADKEPKRQMGQDV-UHFFFAOYSA-N -2 0 367.404 2.606 20 0 FFADRL CSc1ccccc1S(=O)(=O)Nc1ccc(N(C)C)cc1C(=O)[O-] ZINC000583787377 519432218 /nfs/dbraw/zinc/43/22/18/519432218.db2.gz AGIFSXUDHZTDOE-UHFFFAOYSA-N -2 0 366.464 2.974 20 0 FFADRL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000572368945 519580805 /nfs/dbraw/zinc/58/08/05/519580805.db2.gz NSYFOWZDVDGKCF-KWQFWETISA-N -2 0 367.801 2.930 20 0 FFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000569537982 519597780 /nfs/dbraw/zinc/59/77/80/519597780.db2.gz PMXNIKZOXHEJQF-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000609218900 520234997 /nfs/dbraw/zinc/23/49/97/520234997.db2.gz VVZFQEVASOWOCJ-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COC(=O)c1coc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])c1 ZINC000614325657 520910489 /nfs/dbraw/zinc/91/04/89/520910489.db2.gz BVZRTAXOYOQJRZ-UHFFFAOYSA-N -2 0 373.770 2.527 20 0 FFADRL CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000611444300 521162975 /nfs/dbraw/zinc/16/29/75/521162975.db2.gz LHPKDJLMLJNLAX-UHFFFAOYSA-N -2 0 367.354 2.501 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2c(C)nn(CC)c2C)c(C(=O)[O-])c1 ZINC000607615715 521408423 /nfs/dbraw/zinc/40/84/23/521408423.db2.gz ROWSUZGCRZBDHK-UHFFFAOYSA-N -2 0 351.428 2.581 20 0 FFADRL Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738616155 599737706 /nfs/dbraw/zinc/73/77/06/599737706.db2.gz NSYMYLUYDIKSKO-UHFFFAOYSA-N -2 0 366.395 2.682 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n(-c2ccccc2C)n1 ZINC000738463209 599802248 /nfs/dbraw/zinc/80/22/48/599802248.db2.gz DWNOXNKLCOUBMY-UHFFFAOYSA-N -2 0 361.379 2.581 20 0 FFADRL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000737471246 599807558 /nfs/dbraw/zinc/80/75/58/599807558.db2.gz PYNWPOSTAXTLAP-UHFFFAOYSA-N -2 0 369.352 2.687 20 0 FFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1F ZINC000736547517 599953334 /nfs/dbraw/zinc/95/33/34/599953334.db2.gz CZPFWJNVPBEPGK-SECBINFHSA-N -2 0 371.411 2.584 20 0 FFADRL O=C([O-])CC[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000739660029 599982034 /nfs/dbraw/zinc/98/20/34/599982034.db2.gz SOCQFJJNLODWOV-IAGOWNOFSA-N -2 0 355.390 2.967 20 0 FFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(F)c(F)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736751520 599989047 /nfs/dbraw/zinc/98/90/47/599989047.db2.gz RDLKMZGPAJIYNJ-OAHLLOKOSA-N -2 0 368.336 2.645 20 0 FFADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000219155091 600051146 /nfs/dbraw/zinc/05/11/46/600051146.db2.gz ZALLAWXZPGFORS-UHFFFAOYSA-N -2 0 366.342 2.590 20 0 FFADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000738045190 600057698 /nfs/dbraw/zinc/05/76/98/600057698.db2.gz ZPGASTXVWRMRQI-UHFFFAOYSA-N -2 0 365.407 2.981 20 0 FFADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)c2n1 ZINC000327630479 600098825 /nfs/dbraw/zinc/09/88/25/600098825.db2.gz QEWHYXGOKXDFLS-UHFFFAOYSA-N -2 0 358.375 2.748 20 0 FFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)c1C(=O)[O-] ZINC000738970297 600099817 /nfs/dbraw/zinc/09/98/17/600099817.db2.gz USZIQXUZTJSMEW-QMMMGPOBSA-N -2 0 353.400 2.563 20 0 FFADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738168729 600124056 /nfs/dbraw/zinc/12/40/56/600124056.db2.gz VKILUDORYJFTMD-UHFFFAOYSA-N -2 0 367.358 2.539 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c(C(=O)[O-])[nH]1 ZINC000738463152 600176917 /nfs/dbraw/zinc/17/69/17/600176917.db2.gz AHMVCASWXMBDGJ-UHFFFAOYSA-N -2 0 350.183 2.524 20 0 FFADRL Cc1cccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1C(=O)[O-] ZINC000738745283 600383311 /nfs/dbraw/zinc/38/33/11/600383311.db2.gz OTHGRUPEIJMWHA-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL COc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1C(=O)[O-] ZINC000738003803 600546239 /nfs/dbraw/zinc/54/62/39/600546239.db2.gz NBWJRUISXGKUMS-UHFFFAOYSA-N -2 0 358.375 2.753 20 0 FFADRL CSc1nc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2s1 ZINC000319736250 600670904 /nfs/dbraw/zinc/67/09/04/600670904.db2.gz RRSXMSYOKQBCRN-UHFFFAOYSA-N -2 0 369.449 2.845 20 0 FFADRL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000830819359 600702332 /nfs/dbraw/zinc/70/23/32/600702332.db2.gz FZYCJJCBLWASLY-UHFFFAOYSA-N -2 0 351.362 2.548 20 0 FFADRL O=C([O-])[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)c2ccccc2O1 ZINC000833192915 600881831 /nfs/dbraw/zinc/88/18/31/600881831.db2.gz ZWDOMZBYDISKTC-CQSZACIVSA-N -2 0 356.359 2.609 20 0 FFADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000736305229 600892149 /nfs/dbraw/zinc/89/21/49/600892149.db2.gz FHBSOLAROFNBKL-UHFFFAOYSA-N -2 0 357.819 2.791 20 0 FFADRL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000829304803 600943392 /nfs/dbraw/zinc/94/33/92/600943392.db2.gz LSVUUDWYLGMHBZ-CYBMUJFWSA-N -2 0 355.456 2.937 20 0 FFADRL Cn1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000833039560 600978907 /nfs/dbraw/zinc/97/89/07/600978907.db2.gz LSTQMWCILPVIIZ-UHFFFAOYSA-N -2 0 371.827 2.787 20 0 FFADRL CSc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)nc1 ZINC000832781468 600983054 /nfs/dbraw/zinc/98/30/54/600983054.db2.gz WCJZGEPLDDBMNO-UHFFFAOYSA-N -2 0 358.828 2.956 20 0 FFADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000833334796 600983168 /nfs/dbraw/zinc/98/31/68/600983168.db2.gz KVAYEXNANYQNPL-UHFFFAOYSA-N -2 0 361.404 2.704 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccc(Cl)cc2)o1 ZINC000833324495 600989383 /nfs/dbraw/zinc/98/93/83/600989383.db2.gz TVJYKRDULHEDPD-UHFFFAOYSA-N -2 0 367.770 2.618 20 0 FFADRL Cc1noc2ncc([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)cc12 ZINC000738955040 601117263 /nfs/dbraw/zinc/11/72/63/601117263.db2.gz IWNASZKZBBMYAV-UHFFFAOYSA-N -2 0 367.770 2.684 20 0 FFADRL Cc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1C(=O)[O-] ZINC000832942543 601176648 /nfs/dbraw/zinc/17/66/48/601176648.db2.gz IMHYHKGDFRYNRI-UHFFFAOYSA-N -2 0 353.374 2.892 20 0 FFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000833029320 601231552 /nfs/dbraw/zinc/23/15/52/601231552.db2.gz FIHBTCXOOSZRKR-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(CC(=O)[O-])cc2)n1 ZINC000832889142 601272333 /nfs/dbraw/zinc/27/23/33/601272333.db2.gz DQFNLBUQZNZPPE-UHFFFAOYSA-N -2 0 369.352 2.905 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)c1C ZINC000832866141 601329566 /nfs/dbraw/zinc/32/95/66/601329566.db2.gz FQYHZDPHZDYHML-LBPRGKRZSA-N -2 0 363.439 2.970 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C(=O)[O-] ZINC000743266398 601334470 /nfs/dbraw/zinc/33/44/70/601334470.db2.gz LNJZTMPSPNBWNG-UHFFFAOYSA-N -3 0 369.782 2.846 20 0 FFADRL CCc1nc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)sc1C ZINC000390911502 601358316 /nfs/dbraw/zinc/35/83/16/601358316.db2.gz PFSDXXJDRHNOTA-RMKNXTFCSA-N -2 0 352.437 2.913 20 0 FFADRL CCc1nnc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])s1 ZINC000323014048 601500654 /nfs/dbraw/zinc/50/06/54/601500654.db2.gz GWXNSKNQASRLFQ-UHFFFAOYSA-N -2 0 369.449 2.814 20 0 FFADRL CCCCc1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)s1 ZINC000829439629 601502378 /nfs/dbraw/zinc/50/23/78/601502378.db2.gz AYZJHJMBTBDFNR-UHFFFAOYSA-N -2 0 355.441 2.688 20 0 FFADRL CCCCCc1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC000829373187 601502526 /nfs/dbraw/zinc/50/25/26/601502526.db2.gz KEPLUHKXPIUYOD-UHFFFAOYSA-N -2 0 361.470 2.831 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cnc1Cl ZINC000323189484 601576971 /nfs/dbraw/zinc/57/69/71/601576971.db2.gz CBXSESPRTRDOAN-QPJJXVBHSA-N -2 0 352.799 2.942 20 0 FFADRL Cc1cc(F)ccc1CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000327415535 601584802 /nfs/dbraw/zinc/58/48/02/601584802.db2.gz IVTDMKDZASJULB-UHFFFAOYSA-N -2 0 373.352 2.632 20 0 FFADRL Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)n[nH]2)c1 ZINC000832875101 601605515 /nfs/dbraw/zinc/60/55/15/601605515.db2.gz QDNYDEMOQPAVDP-UHFFFAOYSA-N -2 0 361.379 2.786 20 0 FFADRL O=C([O-])c1n[nH]c2ccc([N-]S(=O)(=O)c3cnc4ccsc4c3)cc21 ZINC000833344116 601782898 /nfs/dbraw/zinc/78/28/98/601782898.db2.gz BGAXDUBZRMREGF-UHFFFAOYSA-N -2 0 374.403 2.672 20 0 FFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000833345619 601834959 /nfs/dbraw/zinc/83/49/59/601834959.db2.gz FKGYMTNWKSESQW-UHFFFAOYSA-N -2 0 368.436 2.964 20 0 FFADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000829885326 601854640 /nfs/dbraw/zinc/85/46/40/601854640.db2.gz JYNVJZODSJQZSD-UHFFFAOYSA-N -2 0 367.354 2.501 20 0 FFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000833293547 601860627 /nfs/dbraw/zinc/86/06/27/601860627.db2.gz BOQVDNMDOWCFJV-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000832885958 602033232 /nfs/dbraw/zinc/03/32/32/602033232.db2.gz UEQASCLKCZFXQZ-UHFFFAOYSA-N -2 0 359.812 2.527 20 0 FFADRL O=C([O-])c1cccc(CNC(=O)c2cccc(Br)c2[O-])c1 ZINC000833329589 602060884 /nfs/dbraw/zinc/06/08/84/602060884.db2.gz BCNURYAWJNHOCK-UHFFFAOYSA-N -2 0 350.168 2.783 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)o1 ZINC000833323371 602103928 /nfs/dbraw/zinc/10/39/28/602103928.db2.gz IIEZNWUJUGDGGV-UHFFFAOYSA-N -2 0 353.400 2.625 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnc(Cl)cc1C ZINC000831949552 602159038 /nfs/dbraw/zinc/15/90/38/602159038.db2.gz AMQSXPUEFVEZKB-UHFFFAOYSA-N -2 0 362.816 2.613 20 0 FFADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c(F)c1 ZINC000739866194 602652951 /nfs/dbraw/zinc/65/29/51/602652951.db2.gz DHOUHKQVDDTXIE-UHFFFAOYSA-N -2 0 358.322 2.864 20 0 FFADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])ccc1F ZINC000738559690 602779244 /nfs/dbraw/zinc/77/92/44/602779244.db2.gz GFLDVDZPHVJGBX-UHFFFAOYSA-N -2 0 367.358 2.675 20 0 FFADRL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cn1 ZINC000740713228 602930951 /nfs/dbraw/zinc/93/09/51/602930951.db2.gz QQEYFPOLMOOWKF-UHFFFAOYSA-N -2 0 363.182 2.674 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](NC(=O)[O-])C3)n2)cc1 ZINC000737646132 603505326 /nfs/dbraw/zinc/50/53/26/603505326.db2.gz LWCRJBFEQQJVDV-AWEZNQCLSA-N -2 0 372.425 2.574 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](NC(=O)[O-])C3)n2)cc1 ZINC000737646134 603505404 /nfs/dbraw/zinc/50/54/04/603505404.db2.gz LWCRJBFEQQJVDV-CQSZACIVSA-N -2 0 372.425 2.574 20 0 FFADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(NC(=O)[O-])cc3)cc2=O)cc1 ZINC000738250858 603753134 /nfs/dbraw/zinc/75/31/34/603753134.db2.gz SNIAEFKCBIQGRZ-UHFFFAOYSA-N -2 0 352.350 2.816 20 0 FFADRL O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000832359003 603835036 /nfs/dbraw/zinc/83/50/36/603835036.db2.gz LYQLNBSQVLSJSZ-KGLIPLIRSA-N -2 0 374.397 2.575 20 0 FFADRL C[C@H](CC(=O)Nc1cc(Cl)cc(Br)c1[O-])NC(=O)[O-] ZINC000824680408 604116133 /nfs/dbraw/zinc/11/61/33/604116133.db2.gz VIHRNSBZPSSKCV-RXMQYKEDSA-N -2 0 351.584 2.793 20 0 FFADRL COc1ccsc1S(=O)(=O)[N-]c1cccc2c1CCN2C(=O)[O-] ZINC000829655460 604427418 /nfs/dbraw/zinc/42/74/18/604427418.db2.gz WVRQMGIRSGHYKT-UHFFFAOYSA-N -2 0 354.409 2.598 20 0 FFADRL CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)cc21 ZINC000833514461 604688067 /nfs/dbraw/zinc/68/80/67/604688067.db2.gz XSGYTSAVTJUGSB-UHFFFAOYSA-N -2 0 360.395 2.511 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])nn1-c1ccccc1 ZINC000833746771 604863103 /nfs/dbraw/zinc/86/31/03/604863103.db2.gz ICPSKKNETFVYPR-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833557090 605090625 /nfs/dbraw/zinc/09/06/25/605090625.db2.gz MIYXDJZCOIIFBZ-SECBINFHSA-N -2 0 359.831 2.669 20 0 FFADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000833449576 605121763 /nfs/dbraw/zinc/12/17/63/605121763.db2.gz YLSIVSNAVOBQBG-GHMZBOCLSA-N -2 0 373.496 2.742 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2.655 20 0 FFADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)CCC1 ZINC000863953088 730817994 /nfs/dbraw/zinc/81/79/94/730817994.db2.gz KOBDKZADZREFMF-UHFFFAOYSA-N -2 0 365.451 2.794 20 0 FFADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000863959045 730818007 /nfs/dbraw/zinc/81/80/07/730818007.db2.gz RMZFPAQNAHPBMU-UHFFFAOYSA-N -2 0 368.238 2.689 20 0 FFADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC1 ZINC000863953140 730818074 /nfs/dbraw/zinc/81/80/74/730818074.db2.gz LTUIVRDMPHYOQJ-INIZCTEOSA-N -2 0 365.451 2.650 20 0 FFADRL CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000863961748 730818275 /nfs/dbraw/zinc/81/82/75/730818275.db2.gz ANUZXXKYXJVOOE-HZPDHXFCSA-N -2 0 367.467 2.721 20 0 FFADRL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC000926460480 738618042 /nfs/dbraw/zinc/61/80/42/738618042.db2.gz ZWEXPFQTJVDCQR-BDAKNGLRSA-N -2 0 368.249 2.600 20 0 FFADRL C[S@](=O)(=NS(=O)(=O)[N-]c1cc(F)cc(F)c1[O-])C1CCCCC1 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FFADRL O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC001594984311 951006284 /nfs/dbraw/zinc/00/62/84/951006284.db2.gz GHEAVPLSMIWCGZ-MRVPVSSYSA-N -2 0 360.179 2.763 20 0 FFADRL O=C([O-])C[C@H]1CCCN(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001594990443 951041418 /nfs/dbraw/zinc/04/14/18/951041418.db2.gz DILLKCZORSHMND-MRVPVSSYSA-N -2 0 360.179 2.621 20 0 FFADRL O=C([O-])[C@@]1(C(=O)Nc2n[nH]c(-c3ccc4ccccc4n3)n2)CC=CCC1 ZINC001594871856 954362775 /nfs/dbraw/zinc/36/27/75/954362775.db2.gz JRECEARUHJCMED-IBGZPJMESA-N -2 0 363.377 2.770 20 0 FFADRL Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])ccc1C(=O)[O-] ZINC001594325021 958156733 /nfs/dbraw/zinc/15/67/33/958156733.db2.gz RFCSZTHYHHSDTC-UHFFFAOYSA-N -2 0 355.325 2.976 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000392084404 972408350 /nfs/dbraw/zinc/40/83/50/972408350.db2.gz FHJQBWJXXLIMEE-UHFFFAOYSA-N -2 0 350.352 2.711 20 0 FFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000392345933 972475196 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20 0 FFADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489704875 514944427 /nfs/dbraw/zinc/94/44/27/514944427.db2.gz UVQLIYCQXAGLJZ-UHFFFAOYSA-N -2 0 366.370 2.592 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000485271935 514979824 /nfs/dbraw/zinc/97/98/24/514979824.db2.gz HYCJVIZHWJIEJV-UHFFFAOYSA-N -2 0 367.354 2.585 20 0 FFADRL O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1 ZINC000485295722 514988634 /nfs/dbraw/zinc/98/86/34/514988634.db2.gz VLYRMVCGRZHBGY-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)NCc1ncccc1O ZINC000480762126 515073603 /nfs/dbraw/zinc/07/36/03/515073603.db2.gz YZUABDMCNBNWHU-UHFFFAOYSA-N -2 0 352.799 2.974 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000467765793 515109577 /nfs/dbraw/zinc/10/95/77/515109577.db2.gz BFTQOOAGUFHCGL-UHFFFAOYSA-N -3 0 371.392 2.507 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000509387877 515152239 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FFADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC000464542121 515868922 /nfs/dbraw/zinc/86/89/22/515868922.db2.gz ZLLRERQVMBDMBG-UHFFFAOYSA-N -2 0 363.391 2.525 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c(C)cc1C ZINC000478694461 515928711 /nfs/dbraw/zinc/92/87/11/515928711.db2.gz MSVHTANMICZPNF-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000506616541 515934089 /nfs/dbraw/zinc/93/40/89/515934089.db2.gz LYKIYQPPRPBQKY-UHFFFAOYSA-N -2 0 365.407 2.649 20 0 FFADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000511679588 515998345 /nfs/dbraw/zinc/99/83/45/515998345.db2.gz FECBRRRGFVIPBZ-UHFFFAOYSA-N -2 0 371.798 2.613 20 0 FFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1C(=O)[O-] ZINC000479266653 516132876 /nfs/dbraw/zinc/13/28/76/516132876.db2.gz NSOJIJSDAKWDAG-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000507400746 516202944 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2.820 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000535891326 516545884 /nfs/dbraw/zinc/54/58/84/516545884.db2.gz GRUNHWIKUYSNNS-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL Cc1nc(S(=O)(=O)[N-]c2cc(F)c(NC(C)(C)C)cc2C(=O)[O-])c[nH]1 ZINC000547897895 516624501 /nfs/dbraw/zinc/62/45/01/516624501.db2.gz DEJWKWQDLDDWIL-UHFFFAOYSA-N -2 0 370.406 2.567 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000540695937 516673393 /nfs/dbraw/zinc/67/33/93/516673393.db2.gz DARCTWCZMYCAQH-UHFFFAOYSA-N -2 0 374.422 2.625 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513814269 516764993 /nfs/dbraw/zinc/76/49/93/516764993.db2.gz VQPJFKWPYWRMTC-UHFFFAOYSA-N -2 0 355.441 2.685 20 0 FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(F)c2C)c(C(=O)[O-])c1 ZINC000525238833 516972543 /nfs/dbraw/zinc/97/25/43/516972543.db2.gz SRHDSPBWAMTKSQ-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL CSc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1F ZINC000541306530 516977646 /nfs/dbraw/zinc/97/76/46/516977646.db2.gz ASMZZGVUZIGPAH-UHFFFAOYSA-N -2 0 362.379 2.524 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)c(Cl)c1 ZINC000514941431 517135978 /nfs/dbraw/zinc/13/59/78/517135978.db2.gz SSRINSPGPHKLPH-UHFFFAOYSA-N -2 0 369.782 2.876 20 0 FFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000541807791 517223728 /nfs/dbraw/zinc/22/37/28/517223728.db2.gz SJFXXWJYNUTIID-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000562643564 517263345 /nfs/dbraw/zinc/26/33/45/517263345.db2.gz MLPQUPZNKBAIHY-ZETCQYMHSA-N -2 0 369.798 2.941 20 0 FFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000542235342 517451434 /nfs/dbraw/zinc/45/14/34/517451434.db2.gz BDWCSZIIUHRPHX-UHFFFAOYSA-N -2 0 365.455 2.963 20 0 FFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c1 ZINC000553149593 517546090 /nfs/dbraw/zinc/54/60/90/517546090.db2.gz GPABJOKITJRPJT-UHFFFAOYSA-N -2 0 369.420 2.622 20 0 FFADRL COc1ccnc2c([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)cccc12 ZINC000534318290 517848961 /nfs/dbraw/zinc/84/89/61/517848961.db2.gz WEWYSXGRMHEMOC-UHFFFAOYSA-N -2 0 372.402 2.671 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000530717518 517937553 /nfs/dbraw/zinc/93/75/53/517937553.db2.gz WYZQOLGLZNCDTA-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000530718213 517940099 /nfs/dbraw/zinc/94/00/99/517940099.db2.gz AWTYXQXQYTZDPL-UHFFFAOYSA-N -2 0 369.420 2.816 20 0 FFADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)ccc2OC)c(C(=O)[O-])c1 ZINC000578515365 518247495 /nfs/dbraw/zinc/24/74/95/518247495.db2.gz DZJXNWBRFPWWCP-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL O=C([O-])CCCCCS(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000572838644 518385500 /nfs/dbraw/zinc/38/55/00/518385500.db2.gz FQFATPYETWJZHG-CYBMUJFWSA-N -2 0 353.362 2.854 20 0 FFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N=c2[n-]nc(C3CC3)s2)n1 ZINC000579792148 518851809 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C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C1CCCCC1 ZINC000736548271 599797253 /nfs/dbraw/zinc/79/72/53/599797253.db2.gz JGQBMKYPZAAUNO-JTQLQIEISA-N -2 0 359.469 2.858 20 0 FFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000325528938 599852860 /nfs/dbraw/zinc/85/28/60/599852860.db2.gz RCDONGJRDKZABJ-UHFFFAOYSA-N -2 0 359.325 2.922 20 0 FFADRL O=C([O-])COC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000739819286 600109486 /nfs/dbraw/zinc/10/94/86/600109486.db2.gz OACBNSMHZHSOIH-UHFFFAOYSA-N -2 0 355.755 2.601 20 0 FFADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000738323088 600244447 /nfs/dbraw/zinc/24/44/47/600244447.db2.gz BMQRPHSCRVPSSC-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC000738736699 600247359 /nfs/dbraw/zinc/24/73/59/600247359.db2.gz RVHSPQPHOYESPF-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000096703751 600514101 /nfs/dbraw/zinc/51/41/01/600514101.db2.gz STPWGLMQEWTHIL-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cnccc3C(=O)[O-])cc(Cl)c2O1 ZINC000736824964 600514737 /nfs/dbraw/zinc/51/47/37/600514737.db2.gz IMPLKQFYMZNFBQ-MRVPVSSYSA-N -2 0 368.798 2.557 20 0 FFADRL O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000740072984 600638339 /nfs/dbraw/zinc/63/83/39/600638339.db2.gz ZGAFVIXPJHWTIY-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)s1 ZINC000833323306 600685268 /nfs/dbraw/zinc/68/52/68/600685268.db2.gz AOKWJQFTJBXNIQ-UHFFFAOYSA-N -2 0 367.326 2.972 20 0 FFADRL O=C([O-])CC[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000833221876 600708286 /nfs/dbraw/zinc/70/82/86/600708286.db2.gz AKXFQHFFFOKTIQ-INIZCTEOSA-N -2 0 365.389 2.914 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCCCC2)c[nH]1 ZINC000833304113 600735740 /nfs/dbraw/zinc/73/57/40/600735740.db2.gz QTKUWDRFGMNQNG-UHFFFAOYSA-N -2 0 367.402 2.643 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2C)cc1C(=O)[O-] ZINC000832956697 600830486 /nfs/dbraw/zinc/83/04/86/600830486.db2.gz UCWGLADEKRBWGI-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)c[nH]1 ZINC000314399551 600974055 /nfs/dbraw/zinc/97/40/55/600974055.db2.gz UHZKXHBSFNHMGH-UHFFFAOYSA-N -2 0 357.800 2.777 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)ccc1C(=O)[O-] ZINC000323943292 600974276 /nfs/dbraw/zinc/97/42/76/600974276.db2.gz UPZNCEYAWJIPBJ-UHFFFAOYSA-N -2 0 352.437 2.829 20 0 FFADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)nc21 ZINC000832925315 600976592 /nfs/dbraw/zinc/97/65/92/600976592.db2.gz IPVUODVURVECTM-UHFFFAOYSA-N -2 0 351.409 2.740 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Br)n2)ccc1C(=O)[O-] ZINC000832904462 600981316 /nfs/dbraw/zinc/98/13/16/600981316.db2.gz OTHKXHDTVNHEEI-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1C(=O)[O-] ZINC000832952918 601233935 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Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1CC(C)C ZINC000499289589 515271243 /nfs/dbraw/zinc/27/12/43/515271243.db2.gz YVOOPQONVWSTKN-UHFFFAOYSA-N -2 0 351.428 2.655 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C(=O)[O-])c1 ZINC000504658732 515349497 /nfs/dbraw/zinc/34/94/97/515349497.db2.gz ZRGBMMSISUZSEI-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1O ZINC000481954169 515527369 /nfs/dbraw/zinc/52/73/69/515527369.db2.gz ZLPLRSOWELTXRJ-UHFFFAOYSA-N -2 0 355.799 2.782 20 0 FFADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1)C(=O)[O-] ZINC000463782241 515613819 /nfs/dbraw/zinc/61/38/19/515613819.db2.gz KYKXKOGGQNUINO-AWEZNQCLSA-N -2 0 365.455 2.918 20 0 FFADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cnn(C(F)F)c3)c1)CCCC2 ZINC000463782656 515613865 /nfs/dbraw/zinc/61/38/65/515613865.db2.gz QLKMENUFFHYXHU-UHFFFAOYSA-N -2 0 371.365 2.656 20 0 FFADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000478677575 515921777 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Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)nc1 ZINC000020302134 600101752 /nfs/dbraw/zinc/10/17/52/600101752.db2.gz CATAXFSYEXFDLR-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(Br)n2)c1C(=O)[O-] ZINC000738743389 600179179 /nfs/dbraw/zinc/17/91/79/600179179.db2.gz DPAGYIZNYQQVEI-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL CCCn1ccc2cc([N-]S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])ccc21 ZINC000737051292 600233394 /nfs/dbraw/zinc/23/33/94/600233394.db2.gz QHODKQCMWQTHSQ-UHFFFAOYSA-N -2 0 362.411 2.582 20 0 FFADRL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738756965 600245874 /nfs/dbraw/zinc/24/58/74/600245874.db2.gz SAXOVRURXWTIKD-CYBMUJFWSA-N -2 0 361.419 2.692 20 0 FFADRL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738756966 600245965 /nfs/dbraw/zinc/24/59/65/600245965.db2.gz SAXOVRURXWTIKD-ZDUSSCGKSA-N -2 0 361.419 2.692 20 0 FFADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)ccc1F ZINC000736160786 600253669 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ZINC001594899399 954608067 /nfs/dbraw/zinc/60/80/67/954608067.db2.gz FBUGDHYVQLAOOR-WCQYABFASA-N -2 0 367.810 2.637 20 0 FFADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cccc(CC(=O)[O-])c3)n2)c1 ZINC001594367078 958499267 /nfs/dbraw/zinc/49/92/67/958499267.db2.gz YZWZHDCRSQSTSQ-UHFFFAOYSA-N -2 0 369.352 2.905 20 0 FFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1Br ZINC000131175163 958745515 /nfs/dbraw/zinc/74/55/15/958745515.db2.gz CWZRHXDXQKZRJK-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC001594425344 959113277 /nfs/dbraw/zinc/11/32/77/959113277.db2.gz ZEJIFZYCJUEREL-UHFFFAOYSA-N -2 0 356.403 2.971 20 0 FFADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001346423157 962372961 /nfs/dbraw/zinc/37/29/61/962372961.db2.gz LUPISAHYGJXUAQ-UHFFFAOYSA-N -2 0 372.406 2.543 20 0 FFADRL COc1cc(Br)nc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176238904 1013657199 /nfs/dbraw/zinc/65/71/99/1013657199.db2.gz VDCLBRMJXRUFQT-UHFFFAOYSA-N -2 0 367.155 2.993 20 0 FFADRL CC1(C)CNC(=O)c2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc21 ZINC001176245402 1013659696 /nfs/dbraw/zinc/65/96/96/1013659696.db2.gz ZDDQWXWNUHZODP-UHFFFAOYSA-N -2 0 354.362 2.848 20 0 FFADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C)cnc1C ZINC000404472689 973729207 /nfs/dbraw/zinc/72/92/07/973729207.db2.gz DXAGNDUQVATWAZ-UHFFFAOYSA-N -2 0 370.814 2.859 20 0 FFADRL C[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001592465653 978207462 /nfs/dbraw/zinc/20/74/62/978207462.db2.gz IKDRTVKTKBGQHL-SNVBAGLBSA-N -2 0 359.469 2.858 20 0 FFADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)cc1C ZINC001595024317 979127272 /nfs/dbraw/zinc/12/72/72/979127272.db2.gz UCEBCUKSJLSEGD-JTQLQIEISA-N -2 0 369.418 2.730 20 0 FFADRL CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595125693 979509425 /nfs/dbraw/zinc/50/94/25/979509425.db2.gz GHWLPCXTSLTDOD-LBPRGKRZSA-N -2 0 357.428 2.779 20 0 FFADRL CC[C@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001595362411 980770853 /nfs/dbraw/zinc/77/08/53/980770853.db2.gz DATNCFROVKNAFC-MRXNPFEDSA-N -2 0 367.398 2.758 20 0 FFADRL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2O1 ZINC001595372613 980863671 /nfs/dbraw/zinc/86/36/71/980863671.db2.gz OLLPOVIBVLCJLE-HNNXBMFYSA-N -2 0 353.352 2.676 20 0 FFADRL CCC[C@H](C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001595532148 981370513 /nfs/dbraw/zinc/37/05/13/981370513.db2.gz FQWQGSSTFXXWPN-FZTQNYJHSA-N -2 0 359.422 2.594 20 0 FFADRL C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001594479360 985515185 /nfs/dbraw/zinc/51/51/85/985515185.db2.gz WFLQDYUATWSECW-WPRPVWTQSA-N -2 0 374.315 2.978 20 0 FFADRL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2CC2)cn1 ZINC001597075961 986606636 /nfs/dbraw/zinc/60/66/36/986606636.db2.gz FRIFFBNNCAEOFC-UHFFFAOYSA-N -2 0 362.407 2.857 20 0 FFADRL CCc1cc(Cl)cnc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001597476602 987941570 /nfs/dbraw/zinc/94/15/70/987941570.db2.gz GGTNYBUMJYMMGO-UHFFFAOYSA-N -2 0 354.815 2.725 20 0 FFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001597555840 988283044 /nfs/dbraw/zinc/28/30/44/988283044.db2.gz BDMSPBNYNFMSLC-UHFFFAOYSA-N -2 0 361.419 2.872 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC001597562940 988311944 /nfs/dbraw/zinc/31/19/44/988311944.db2.gz ZMENKYJUGQHOIR-UHFFFAOYSA-N -3 0 369.420 2.816 20 0 FFADRL CSc1ccc(Cl)c(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC001599814778 988402272 /nfs/dbraw/zinc/40/22/72/988402272.db2.gz SCODOCQRCIOEHR-PELKAZGASA-N -2 0 372.830 2.844 20 0 FFADRL CSc1ccc(Cl)c(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC001599814779 988402352 /nfs/dbraw/zinc/40/23/52/988402352.db2.gz SCODOCQRCIOEHR-PRHODGIISA-N -2 0 372.830 2.844 20 0 FFADRL CCc1nc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)sc1C(=O)[O-] ZINC001597685383 988833221 /nfs/dbraw/zinc/83/32/21/988833221.db2.gz MCYGOUYJVVFJGO-GFCCVEGCSA-N -2 0 370.452 2.533 20 0 FFADRL CCc1nc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)sc1C(=O)[O-] ZINC001597685702 988842264 /nfs/dbraw/zinc/84/22/64/988842264.db2.gz YEWVWBHBLDYXSX-QMMMGPOBSA-N -2 0 368.436 2.528 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCCC2)nn1C ZINC001597785223 989301414 /nfs/dbraw/zinc/30/14/14/989301414.db2.gz DNDKRPULYXCZRU-UHFFFAOYSA-N -2 0 367.427 2.732 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C)nc2c1 ZINC001597790422 989311121 /nfs/dbraw/zinc/31/11/21/989311121.db2.gz BIRVRPSUTMZGSW-UHFFFAOYSA-N -2 0 350.352 2.791 20 0 FFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n[nH]1 ZINC001590461877 990031535 /nfs/dbraw/zinc/03/15/35/990031535.db2.gz MTVZSTQEXCXAFD-UHFFFAOYSA-N -2 0 357.819 2.860 20 0 FFADRL CC(C)C[C@@H](C(=O)[O-])[S@@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001591123331 991807400 /nfs/dbraw/zinc/80/74/00/991807400.db2.gz XBGNGMHOMBPHQE-SXBQZSJRSA-N -2 0 365.407 2.788 20 0 FFADRL CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001591444556 992540813 /nfs/dbraw/zinc/54/08/13/992540813.db2.gz HXIAUBDEQVWIES-BXKDBHETSA-N -2 0 359.831 2.525 20 0 FFADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC001591496977 992630867 /nfs/dbraw/zinc/63/08/67/992630867.db2.gz PIDNPGYPGKKYHP-UHFFFAOYSA-N -2 0 369.830 2.828 20 0 FFADRL C[C@H](NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593069652 993610457 /nfs/dbraw/zinc/61/04/57/993610457.db2.gz GIQMHSAEGILFMY-KNXALSJPSA-N -2 0 374.437 2.588 20 0 FFADRL COc1ccc2c(c1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])CCC2 ZINC001599633845 994257650 /nfs/dbraw/zinc/25/76/50/994257650.db2.gz MXPJEVCADYMYIC-UHFFFAOYSA-N -2 0 365.407 2.893 20 0 FFADRL COc1ccc([C@H](NC(=O)c2cc(F)cc(F)c2[O-])C(=O)[O-])cc1Cl ZINC001599526142 997562815 /nfs/dbraw/zinc/56/28/15/997562815.db2.gz ZJFILYBSQZVRPJ-ZDUSSCGKSA-N -2 0 371.723 2.888 20 0 FFADRL COc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)ccc1C(=O)[O-] ZINC001599460293 998262020 /nfs/dbraw/zinc/26/20/20/998262020.db2.gz YLHXBEFFPYCHTC-UHFFFAOYSA-N -2 0 368.436 2.530 20 0 FFADRL COC(=O)c1sc(NC(=O)CC2(C(=O)[O-])CCCC2)c(C(=O)[O-])c1C ZINC001599021115 998979957 /nfs/dbraw/zinc/97/99/57/998979957.db2.gz SWVBAYRSQOYECZ-UHFFFAOYSA-N -2 0 369.395 2.515 20 0 FFADRL COC(=O)c1sc(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001599021351 998981812 /nfs/dbraw/zinc/98/18/12/998981812.db2.gz VYCVZQHWWYZRHW-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])C[C@@H]1C ZINC001594297172 999145720 /nfs/dbraw/zinc/14/57/20/999145720.db2.gz SNRGUOQSTWJAHY-VWYCJHECSA-N -2 0 373.858 2.915 20 0 FFADRL C[C@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC001594402730 999509177 /nfs/dbraw/zinc/50/91/77/999509177.db2.gz HWYSXPUFRPQJJE-KWQFWETISA-N -2 0 374.315 2.978 20 0 FFADRL O=C(Nc1cc(Cl)cc2ncoc21)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926598 1001240753 /nfs/dbraw/zinc/24/07/53/1001240753.db2.gz QLXHTFBTOXTWFL-UHFFFAOYSA-N -2 0 368.754 2.686 20 0 FFADRL COc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185877598 1003112788 /nfs/dbraw/zinc/11/27/88/1003112788.db2.gz OVQRYEKSHLKODD-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(-c3ccccn3)c2)ccc1F ZINC001186150335 1003199015 /nfs/dbraw/zinc/19/90/15/1003199015.db2.gz CKCFGOQCMRJFPW-UHFFFAOYSA-N -2 0 373.365 2.782 20 0 FFADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cncc(O)c3)cc2)c1 ZINC001196067923 1003652015 /nfs/dbraw/zinc/65/20/15/1003652015.db2.gz FNYJNZDQIURDIL-UHFFFAOYSA-N -2 0 370.386 2.953 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc1 ZINC001192100510 1004053317 /nfs/dbraw/zinc/05/33/17/1004053317.db2.gz SIXPXYMLDZENGM-UHFFFAOYSA-N -2 0 374.340 2.918 20 0 FFADRL COc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1[S-] ZINC001192141780 1004078627 /nfs/dbraw/zinc/07/86/27/1004078627.db2.gz HGOCQSKCELVLLE-UHFFFAOYSA-N -2 0 367.448 2.802 20 0 FFADRL CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ncc2C)cc1C(=O)[O-] ZINC001192609124 1004214781 /nfs/dbraw/zinc/21/47/81/1004214781.db2.gz RHJIKWDYZVIDBP-UHFFFAOYSA-N -2 0 370.814 2.941 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2O)cc1C(=O)[O-] ZINC001192640043 1004230295 /nfs/dbraw/zinc/23/02/95/1004230295.db2.gz OMMDTELRFQDXEZ-UHFFFAOYSA-N -2 0 365.407 2.907 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn3ccnc3c2)c(Cl)cc1F ZINC001193975024 1004623574 /nfs/dbraw/zinc/62/35/74/1004623574.db2.gz RNJVQGMXNHEDOS-UHFFFAOYSA-N -2 0 369.761 2.626 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3oncc3c2)c(F)cc1F ZINC001195236226 1004913443 /nfs/dbraw/zinc/91/34/43/1004913443.db2.gz PBBVMNIGGCKNJN-UHFFFAOYSA-N -2 0 354.290 2.605 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ncc3ccccc3n2)c1 ZINC001187545371 1006135596 /nfs/dbraw/zinc/13/55/96/1006135596.db2.gz IZMAZNJYFSWQQM-UHFFFAOYSA-N -2 0 363.782 2.782 20 0 FFADRL Cc1nc2ccccn2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187548380 1006138673 /nfs/dbraw/zinc/13/86/73/1006138673.db2.gz RFFBLXVJEYSKST-UHFFFAOYSA-N -2 0 365.798 2.795 20 0 FFADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccn1 ZINC001187548269 1006138792 /nfs/dbraw/zinc/13/87/92/1006138792.db2.gz OILCATUEZFFGON-UHFFFAOYSA-N -2 0 356.787 2.633 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2C(=O)OC3)c1 ZINC001187589956 1006145413 /nfs/dbraw/zinc/14/54/13/1006145413.db2.gz VZPVNWCQGJFTTM-UHFFFAOYSA-N -2 0 367.766 2.509 20 0 FFADRL Cc1nc2ccccn2c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188276572 1006498084 /nfs/dbraw/zinc/49/80/84/1006498084.db2.gz HLWOIARBHZKSBP-UHFFFAOYSA-N -2 0 365.798 2.795 20 0 FFADRL CCOC(=O)c1occc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188279612 1006499658 /nfs/dbraw/zinc/49/96/58/1006499658.db2.gz KKNNOJMVSJWXSG-UHFFFAOYSA-N -2 0 373.770 2.609 20 0 FFADRL CCc1c(Cl)cc([N-]S(=O)(=O)CCC(=O)OC)c([O-])c1Cl ZINC001188393445 1006543834 /nfs/dbraw/zinc/54/38/34/1006543834.db2.gz HGACXZWFPHRMFL-UHFFFAOYSA-N -2 0 356.227 2.566 20 0 FFADRL O=C(Nc1ccc2oc(=O)ccc2c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189888360 1007357316 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FFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000484952780 514854554 /nfs/dbraw/zinc/85/45/54/514854554.db2.gz AWPISGOLOUXYPD-UHFFFAOYSA-N -2 0 374.415 2.797 20 0 FFADRL Cc1cc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C(=O)[O-])c1 ZINC000462080787 514871393 /nfs/dbraw/zinc/87/13/93/514871393.db2.gz OSKGITYXFBAONM-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL Cc1cc(C)c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000485267046 514979925 /nfs/dbraw/zinc/97/99/25/514979925.db2.gz ZRTGLFUYYZRJRU-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000509390097 515153633 /nfs/dbraw/zinc/15/36/33/515153633.db2.gz HGPAMJMFKUNBOQ-UHFFFAOYSA-N -2 0 366.342 2.969 20 0 FFADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000509578507 515241013 /nfs/dbraw/zinc/24/10/13/515241013.db2.gz RCNOBDLNIKGAQU-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1O ZINC000477162986 515352992 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FFADRL CCCc1nc(=NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])s[n-]1 ZINC000468704685 515478824 /nfs/dbraw/zinc/47/88/24/515478824.db2.gz YYYVFGSRMNAZSH-UHFFFAOYSA-N -2 0 361.402 2.504 20 0 FFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000463527644 515536025 /nfs/dbraw/zinc/53/60/25/515536025.db2.gz PQCFZVAEDUDDHE-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)ccc1C(=O)[O-] ZINC000506706317 515958790 /nfs/dbraw/zinc/95/87/90/515958790.db2.gz JVBUQXGLBQMYSD-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c(F)c1 ZINC000479207184 516108874 /nfs/dbraw/zinc/10/88/74/516108874.db2.gz IOEGFRKLECZDLK-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507586316 516254401 /nfs/dbraw/zinc/25/44/01/516254401.db2.gz WDYZKNYKACSEGR-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(CC)ccc2O)cc1C(=O)[O-] ZINC000470469061 516262808 /nfs/dbraw/zinc/26/28/08/516262808.db2.gz XNNJBPTZNUXBFS-UHFFFAOYSA-N -2 0 365.407 2.852 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000512752043 516346264 /nfs/dbraw/zinc/34/62/64/516346264.db2.gz JPELHYUVDXIXEE-UHFFFAOYSA-N -3 0 367.354 2.640 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000512762173 516350721 /nfs/dbraw/zinc/35/07/21/516350721.db2.gz ORJZBQWFXRGTEW-UHFFFAOYSA-N -2 0 371.361 2.981 20 0 FFADRL O=C([O-])c1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc([N+](=O)[O-])c1 ZINC000547544401 516399328 /nfs/dbraw/zinc/39/93/28/516399328.db2.gz BXFRBIYCANYMQY-UHFFFAOYSA-N -2 0 372.305 2.513 20 0 FFADRL CN(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000547547587 516400939 /nfs/dbraw/zinc/40/09/39/516400939.db2.gz LDSUMBGHYLYBHG-UHFFFAOYSA-N -2 0 356.350 2.530 20 0 FFADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000547552196 516403360 /nfs/dbraw/zinc/40/33/60/516403360.db2.gz DAKWISAXPLDHLM-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000547882064 516616563 /nfs/dbraw/zinc/61/65/63/516616563.db2.gz MUKAALOZLBJOHK-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513816400 516767301 /nfs/dbraw/zinc/76/73/01/516767301.db2.gz NECCHQCFUROQQH-UHFFFAOYSA-N -2 0 373.818 2.625 20 0 FFADRL O=C([O-])CC1(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CCC1 ZINC000519705873 517139107 /nfs/dbraw/zinc/13/91/07/517139107.db2.gz OYZYHRJASHFAPQ-UHFFFAOYSA-N -2 0 353.774 2.542 20 0 FFADRL Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCC[C@@H](CC(=O)[O-])C3)s2)cc1 ZINC000562807177 517421720 /nfs/dbraw/zinc/42/17/20/517421720.db2.gz ASHYUCIFHZATQT-AWEZNQCLSA-N -2 0 374.466 3.156 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)nn1-c1ccccc1 ZINC000538938393 517853153 /nfs/dbraw/zinc/85/31/53/517853153.db2.gz PKNLQLUDUODSBF-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)c2O1 ZINC000576796590 518766280 /nfs/dbraw/zinc/76/62/80/518766280.db2.gz WJAGGPYFMXQFFO-UHFFFAOYSA-N -2 0 361.419 2.828 20 0 FFADRL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000574210491 519042146 /nfs/dbraw/zinc/04/21/46/519042146.db2.gz KOUIVUREXBHMCE-NSHDSACASA-N -2 0 355.790 2.786 20 0 FFADRL C[C@H](COC1CCCC1)CS(=O)(=O)Nc1cccc(C(=O)[O-])c1F ZINC000571688887 519222680 /nfs/dbraw/zinc/22/26/80/519222680.db2.gz MNCTUKMBBMQTAJ-LLVKDONJSA-N -2 0 359.419 2.861 20 0 FFADRL Cc1nn(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1C(F)F ZINC000583552344 519307543 /nfs/dbraw/zinc/30/75/43/519307543.db2.gz ZWWNOMUASBLRNE-UHFFFAOYSA-N -2 0 373.381 2.782 20 0 FFADRL C[C@@H](CN(C)C(=O)c1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC000566224987 519379870 /nfs/dbraw/zinc/37/98/70/519379870.db2.gz NKAAQKZLLYDSKL-LURJTMIESA-N -2 0 350.596 2.601 20 0 FFADRL O=C([O-])C1(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CCCC1 ZINC000580895181 519415018 /nfs/dbraw/zinc/41/50/18/519415018.db2.gz JDCCVWZTYWBIEK-UHFFFAOYSA-N -2 0 353.774 2.542 20 0 FFADRL CN(c1cccc(CCC(=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000566395537 519470317 /nfs/dbraw/zinc/47/03/17/519470317.db2.gz SRHMRLDCPHUBCE-UHFFFAOYSA-N -2 0 369.826 2.888 20 0 FFADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000572212023 519495467 /nfs/dbraw/zinc/49/54/67/519495467.db2.gz POKMAFQAKWGIHC-UHFFFAOYSA-N -2 0 357.334 2.716 20 0 FFADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3)ccc12 ZINC000592429674 520387750 /nfs/dbraw/zinc/38/77/50/520387750.db2.gz QLUWUKSAILAZJT-UHFFFAOYSA-N -2 0 352.318 2.945 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Br ZINC000109434422 599735748 /nfs/dbraw/zinc/73/57/48/599735748.db2.gz JDTTYGRIERHXGG-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736999817 599737703 /nfs/dbraw/zinc/73/77/03/599737703.db2.gz JLKONZUGVJKLLD-UHFFFAOYSA-N -2 0 369.395 2.966 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)[O-])c1 ZINC000738993400 599851246 /nfs/dbraw/zinc/85/12/46/599851246.db2.gz SWLPJTPLOVQBKM-UHFFFAOYSA-N -3 0 356.381 2.645 20 0 FFADRL Cc1ccc(C)c([C@@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])c1 ZINC000736744539 599988793 /nfs/dbraw/zinc/98/87/93/599988793.db2.gz CJUYGRNPWPYAMF-KRWDZBQOSA-N -2 0 360.410 2.983 20 0 FFADRL Cc1nc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)sc1C(=O)[O-] ZINC000738332544 600054500 /nfs/dbraw/zinc/05/45/00/600054500.db2.gz SVTQCGIRECKFBD-UHFFFAOYSA-N -2 0 363.420 2.807 20 0 FFADRL Cc1nc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000738363182 600054618 /nfs/dbraw/zinc/05/46/18/600054618.db2.gz FFSPOJCPODJPHN-UHFFFAOYSA-N -2 0 366.342 2.969 20 0 FFADRL CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1c([O-])cc(F)cc1F ZINC000737171263 600162014 /nfs/dbraw/zinc/16/20/14/600162014.db2.gz QYGHEPOPBZSBIO-UHFFFAOYSA-N -2 0 369.320 2.641 20 0 FFADRL COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000738108976 600237429 /nfs/dbraw/zinc/23/74/29/600237429.db2.gz LDMNJAMHZRVGNY-UHFFFAOYSA-N -2 0 373.333 2.796 20 0 FFADRL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738756847 600246084 /nfs/dbraw/zinc/24/60/84/600246084.db2.gz NRHIPKLKUDSHNR-NSHDSACASA-N -2 0 367.448 2.753 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c(F)cc1F ZINC000740090580 600424394 /nfs/dbraw/zinc/42/43/94/600424394.db2.gz YDTJMOYPYMYWHO-UHFFFAOYSA-N -2 0 360.363 2.798 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CC/C=C/c2ccccc2)s1 ZINC000739237030 600511670 /nfs/dbraw/zinc/51/16/70/600511670.db2.gz XGMYGPCUMBLTQA-XBXARRHUSA-N -2 0 365.432 2.745 20 0 FFADRL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000739712366 600539120 /nfs/dbraw/zinc/53/91/20/600539120.db2.gz RNFVOIZPLKCMIC-UHFFFAOYSA-N -2 0 358.379 2.853 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)cs1 ZINC000833306173 600977237 /nfs/dbraw/zinc/97/72/37/600977237.db2.gz BKAUXFUPPNVEEJ-UHFFFAOYSA-N -2 0 355.441 2.949 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccncc2)c[nH]1 ZINC000833306199 600982030 /nfs/dbraw/zinc/98/20/30/600982030.db2.gz DKDIMWDXTDXZJS-UHFFFAOYSA-N -2 0 359.363 2.701 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000831946354 601204259 /nfs/dbraw/zinc/20/42/59/601204259.db2.gz VKDDPFRQPXCOPK-UHFFFAOYSA-N -2 0 366.420 2.747 20 0 FFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1C(=O)[O-] ZINC000833030508 601234313 /nfs/dbraw/zinc/23/43/13/601234313.db2.gz ZOEKXMHXBXHIQV-UHFFFAOYSA-N -2 0 365.285 2.828 20 0 FFADRL O=C([O-])[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000833168036 601281516 /nfs/dbraw/zinc/28/15/16/601281516.db2.gz SLARFZKYANPZHX-SSDOTTSWSA-N -2 0 358.085 2.591 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1F ZINC000038431478 601317513 /nfs/dbraw/zinc/31/75/13/601317513.db2.gz VJSXFRUGKQEIFV-UHFFFAOYSA-N -2 0 361.297 2.926 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000323908056 601358151 /nfs/dbraw/zinc/35/81/51/601358151.db2.gz DZTGZSJQDQIRKY-UHFFFAOYSA-N -2 0 364.404 2.804 20 0 FFADRL CCCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)s1 ZINC000829440385 601502198 /nfs/dbraw/zinc/50/21/98/601502198.db2.gz JTQDRSFDYIVHNE-UHFFFAOYSA-N -2 0 355.441 2.688 20 0 FFADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n[nH]1 ZINC000832974987 601604627 /nfs/dbraw/zinc/60/46/27/601604627.db2.gz SHAOBDCMUFPOAS-UHFFFAOYSA-N -2 0 357.391 2.884 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(Cl)cc1F ZINC000063876876 601828490 /nfs/dbraw/zinc/82/84/90/601828490.db2.gz DQBBPJOIJBCGPI-UHFFFAOYSA-N -2 0 373.745 2.707 20 0 FFADRL CC(C)OCc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000827033442 601837500 /nfs/dbraw/zinc/83/75/00/601837500.db2.gz IBFMSYRKHSSNDI-UHFFFAOYSA-N -2 0 356.425 2.567 20 0 FFADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n[nH]1 ZINC000829217032 601861684 /nfs/dbraw/zinc/86/16/84/601861684.db2.gz WKOJRNQPJKNBOO-VIFPVBQESA-N -2 0 353.400 2.518 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)C2(Cc3ccccc3)CCC2)c1 ZINC000833333124 601982376 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ZINC000793411320 739778950 /nfs/dbraw/zinc/77/89/50/739778950.db2.gz ZWXZNWGKFNEBCM-JTQLQIEISA-N -2 0 367.402 2.801 20 0 FFADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793431297 739781066 /nfs/dbraw/zinc/78/10/66/739781066.db2.gz YVALLVIETPINHC-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2COC3=O)c1 ZINC000808128058 741190877 /nfs/dbraw/zinc/19/08/77/741190877.db2.gz CKCMEHXPPMPZSQ-UHFFFAOYSA-N -2 0 367.766 2.509 20 0 FFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000811712892 741551783 /nfs/dbraw/zinc/55/17/83/741551783.db2.gz KPLJHFRBVIRBLC-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828240176 745046849 /nfs/dbraw/zinc/04/68/49/745046849.db2.gz SUANOPSWYZVZHW-TZMCWYRMSA-N -2 0 353.440 2.547 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013278945 845026067 /nfs/dbraw/zinc/02/60/67/845026067.db2.gz 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O=C([O-])CCc1cccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC001595066609 951554794 /nfs/dbraw/zinc/55/47/94/951554794.db2.gz OWRIOBYKOOUQJI-UHFFFAOYSA-N -2 0 374.340 2.918 20 0 FFADRL O=C([O-])C1=NO[C@@H](C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)C1 ZINC001594889391 954501063 /nfs/dbraw/zinc/50/10/63/954501063.db2.gz LMNPQRPZZPHCLX-ZCFIWIBFSA-N -2 0 353.545 2.520 20 0 FFADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001594336029 958267939 /nfs/dbraw/zinc/26/79/39/958267939.db2.gz UPOKFLSPMGYNPV-UHFFFAOYSA-N -2 0 358.398 2.561 20 0 FFADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000391607620 972350043 /nfs/dbraw/zinc/35/00/43/972350043.db2.gz VFJFPVJDVMJBBP-UHFFFAOYSA-N -2 0 366.342 2.969 20 0 FFADRL Cc1[n-]n(-c2cccc(-c3ccc(C)cc3CO)c2)c(=O)c1CC(=O)[O-] ZINC000657206864 965715196 /nfs/dbraw/zinc/71/51/96/965715196.db2.gz BCHUXCUEDGMCIK-GOSISDBHSA-N -2 0 352.390 2.968 20 0 FFADRL Cc1nc(Br)cnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237978 1013656129 /nfs/dbraw/zinc/65/61/29/1013656129.db2.gz IALDGVPPHQQEIG-UHFFFAOYSA-N -2 0 352.144 2.688 20 0 FFADRL CCOC(=O)c1ncn2c1cccc2Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237578 1013656362 /nfs/dbraw/zinc/65/63/62/1013656362.db2.gz XDADFINQOPHDRC-UHFFFAOYSA-N -2 0 369.333 2.651 20 0 FFADRL COC(=O)c1sc2nccnc2c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237953 1013656525 /nfs/dbraw/zinc/65/65/25/1013656525.db2.gz HROWMGHGLBYQJM-UHFFFAOYSA-N -2 0 373.346 2.618 20 0 FFADRL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874966582 1013937637 /nfs/dbraw/zinc/93/76/37/1013937637.db2.gz LLBCPOBMDHSJGU-AAEUAGOBSA-N -2 0 357.362 2.790 20 0 FFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])ccc1C ZINC000320057447 970607816 /nfs/dbraw/zinc/60/78/16/970607816.db2.gz MDBLBHZHKOMWPD-UHFFFAOYSA-N -2 0 354.409 2.514 20 0 FFADRL CC(C)Oc1c(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cccc1C(=O)[O-] ZINC001591744027 975765695 /nfs/dbraw/zinc/76/56/95/975765695.db2.gz HQLQPCNGQUGCKG-WCQYABFASA-N -2 0 364.398 2.747 20 0 FFADRL CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)ccc2o1 ZINC001592031481 976740842 /nfs/dbraw/zinc/74/08/42/976740842.db2.gz FXHUBCGRGIRNIO-UHFFFAOYSA-N -2 0 361.379 2.845 20 0 FFADRL CC(C)c1sc([N-]S(=O)(=O)c2cccc(N(C)C)c2)nc1C(=O)[O-] ZINC001592117525 976921178 /nfs/dbraw/zinc/92/11/78/976921178.db2.gz RFAYABWJNPMDLW-UHFFFAOYSA-N -2 0 369.468 2.832 20 0 FFADRL C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC001592604785 978546917 /nfs/dbraw/zinc/54/69/17/978546917.db2.gz CWCNRUJPZCABNX-CQSZACIVSA-N -2 0 371.389 2.513 20 0 FFADRL CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595036308 979193774 /nfs/dbraw/zinc/19/37/74/979193774.db2.gz RQSDMYLMWYGLCW-JTQLQIEISA-N -2 0 361.847 2.915 20 0 FFADRL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001595566166 981459639 /nfs/dbraw/zinc/45/96/39/981459639.db2.gz AVMPGODFBNNOPE-MRVPVSSYSA-N -2 0 367.345 2.645 20 0 FFADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C(=O)[O-])[C@H]3C)n2)cc1 ZINC000909806947 981725090 /nfs/dbraw/zinc/72/50/90/981725090.db2.gz NCVMTHOHTXJWNN-IUODEOHRSA-N -2 0 357.410 2.637 20 0 FFADRL CCCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)n1 ZINC001596074609 983388739 /nfs/dbraw/zinc/38/87/39/983388739.db2.gz DPFCSYPPHBTXHA-UHFFFAOYSA-N -2 0 356.425 2.603 20 0 FFADRL C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001599888496 984665519 /nfs/dbraw/zinc/66/55/19/984665519.db2.gz HUOUEGWZZQZVRP-CQSZACIVSA-N -2 0 365.389 2.693 20 0 FFADRL Cc1cc(NCCOP(=O)([O-])[O-])nc2ccc(Br)cc12 ZINC001168591100 985676885 /nfs/dbraw/zinc/67/68/85/985676885.db2.gz HTCWVAJRNVMAHI-UHFFFAOYSA-N -2 0 361.132 2.827 20 0 FFADRL O=C(Nc1ccc(NCCOP(=O)([O-])[O-])cc1)Oc1ccccc1 ZINC001168595888 985732822 /nfs/dbraw/zinc/73/28/22/985732822.db2.gz PMASSDPEMVPNCU-UHFFFAOYSA-N -2 0 352.283 2.819 20 0 FFADRL Cc1c2ccc(F)cc2sc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001599982132 986178049 /nfs/dbraw/zinc/17/80/49/986178049.db2.gz KWZFTFGYRYJIFW-APPZFPTMSA-N -2 0 373.427 2.518 20 0 FFADRL CNC(=O)c1ccc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)cc1C ZINC000517588169 986335220 /nfs/dbraw/zinc/33/52/20/986335220.db2.gz KHUFWCQVIIZIGA-UHFFFAOYSA-N -2 0 353.374 2.836 20 0 FFADRL Cc1cc(C(=O)N(C)c2ccc3ccccc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151519089 986409980 /nfs/dbraw/zinc/40/99/80/986409980.db2.gz IBPGSTRZAFYREA-UHFFFAOYSA-N -2 0 360.373 2.762 20 0 FFADRL CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001597471518 987935567 /nfs/dbraw/zinc/93/55/67/987935567.db2.gz PYNKCGBEFJMMCI-UHFFFAOYSA-N -2 0 361.423 2.724 20 0 FFADRL CCc1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)sc2c1 ZINC001597570410 988343245 /nfs/dbraw/zinc/34/32/45/988343245.db2.gz HQJQYTJHYJGDGJ-UHFFFAOYSA-N -2 0 352.393 2.951 20 0 FFADRL CCc1cccc(C)c1NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001597579484 988380688 /nfs/dbraw/zinc/38/06/88/988380688.db2.gz ZJVUKJVCLJRUFN-BIWSTMPVSA-N -2 0 360.410 2.587 20 0 FFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CC(=O)[O-])c2ccccc2)n1 ZINC001597604096 988478445 /nfs/dbraw/zinc/47/84/45/988478445.db2.gz DFWOKHMNCHTPSJ-UHFFFAOYSA-N -2 0 365.389 2.872 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)OC)c1 ZINC001597790486 989312113 /nfs/dbraw/zinc/31/21/13/989312113.db2.gz DTGYZXQBNROJEI-UHFFFAOYSA-N -2 0 368.367 2.519 20 0 FFADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)s1 ZINC001590498253 990106309 /nfs/dbraw/zinc/10/63/09/990106309.db2.gz UQMRCDMYISTMFV-XYPYZODXSA-N -2 0 373.496 2.742 20 0 FFADRL CC(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001591276194 992198177 /nfs/dbraw/zinc/19/81/77/992198177.db2.gz FFTQEEDUUIDDQS-UHFFFAOYSA-N -2 0 355.391 2.567 20 0 FFADRL C[C@@H](NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593069653 993610269 /nfs/dbraw/zinc/61/02/69/993610269.db2.gz GIQMHSAEGILFMY-XFBWCDHKSA-N -2 0 374.437 2.588 20 0 FFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC001599599553 993795542 /nfs/dbraw/zinc/79/55/42/993795542.db2.gz JSYXUPDZFKHUHK-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(C)c(C(=O)[O-])s1 ZINC001599682164 994999932 /nfs/dbraw/zinc/99/99/32/994999932.db2.gz MYDYXDKDWOIWNP-UHFFFAOYSA-N -2 0 357.409 2.573 20 0 FFADRL COc1ccc(C(=O)[O-])c(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC001599489845 996919067 /nfs/dbraw/zinc/91/90/67/996919067.db2.gz MYKYINNOAYFTKP-NSHDSACASA-N -2 0 352.387 2.652 20 0 FFADRL CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)C(=O)[O-])C1 ZINC001599109099 997533220 /nfs/dbraw/zinc/53/32/20/997533220.db2.gz HIUDIXFJMFBKSY-DRCTWCGVSA-N -2 0 364.423 2.505 20 0 FFADRL COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(Cl)c1 ZINC001598929251 997712597 /nfs/dbraw/zinc/71/25/97/997712597.db2.gz XZDQHIZGNAMSTP-UHFFFAOYSA-N -2 0 373.770 2.527 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc2cccnc21 ZINC001599444828 997990645 /nfs/dbraw/zinc/99/06/45/997990645.db2.gz DSUBRDIGPUHLBA-UHFFFAOYSA-N -2 0 362.363 2.644 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(OC)c(C)cc1C ZINC001599445542 998002981 /nfs/dbraw/zinc/00/29/81/998002981.db2.gz MYCBYRZIWDIFKH-UHFFFAOYSA-N -2 0 371.436 2.881 20 0 FFADRL CC1=C(C(=O)[O-])[C@H](c2ccsc2)NC(=O)N1CCCCCC(=O)[O-] ZINC001594098227 998078756 /nfs/dbraw/zinc/07/87/56/998078756.db2.gz CENXOUDWDGBDQQ-AWEZNQCLSA-N -2 0 352.412 2.818 20 0 FFADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccc(F)c(C(=O)[O-])c3F)cn21 ZINC001594389297 999474736 /nfs/dbraw/zinc/47/47/36/999474736.db2.gz UMXSPWPNNNKIJD-QMMMGPOBSA-N -2 0 371.365 2.558 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)cs2)cc1C(=O)[O-] ZINC001184659244 1002678766 /nfs/dbraw/zinc/67/87/66/1002678766.db2.gz BWOPDOATRJOXPS-UHFFFAOYSA-N -2 0 366.342 2.969 20 0 FFADRL CCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185315199 1002910423 /nfs/dbraw/zinc/91/04/23/1002910423.db2.gz ZCYWSEZDYNBSTP-UHFFFAOYSA-N -2 0 363.391 2.787 20 0 FFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2C)c(S(=O)(=O)[O-])c1 ZINC001185829209 1003077470 /nfs/dbraw/zinc/07/74/70/1003077470.db2.gz OFPCOVCZUVAHGJ-UHFFFAOYSA-N -2 0 373.427 2.798 20 0 FFADRL COc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Cl ZINC001185877363 1003112856 /nfs/dbraw/zinc/11/28/56/1003112856.db2.gz HRNQXHYWPREJGE-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL Cn1ccnc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196060567 1003645572 /nfs/dbraw/zinc/64/55/72/1003645572.db2.gz IENCZCUSTRUQGC-UHFFFAOYSA-N -2 0 357.391 2.586 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)no2)cc1 ZINC001192106691 1004054107 /nfs/dbraw/zinc/05/41/07/1004054107.db2.gz OKBZKSCAIOPEQO-UHFFFAOYSA-N -2 0 364.301 2.511 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnc3ccc(O)cc3c2)cc1 ZINC001192110244 1004055282 /nfs/dbraw/zinc/05/52/82/1004055282.db2.gz VFAGRQSQVOQQAL-UHFFFAOYSA-N -2 0 372.402 2.758 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(F)cc2F)c(Cl)cc1F ZINC001193972587 1004622437 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CO[C@H]1CCOc2c([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cccc21 ZINC001198782034 1004726063 /nfs/dbraw/zinc/72/60/63/1004726063.db2.gz AZIJFZIVYJESIJ-AWEZNQCLSA-N -2 0 363.391 2.656 20 0 FFADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc2ncoc21 ZINC001198789628 1004728093 /nfs/dbraw/zinc/72/80/93/1004728093.db2.gz GWMUHJKMBIUTMO-UHFFFAOYSA-N -2 0 352.755 2.980 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CC3)nc2)c(F)cc1F ZINC001195201152 1004915563 /nfs/dbraw/zinc/91/55/63/1004915563.db2.gz BMNJLRBVBXAJOY-UHFFFAOYSA-N -2 0 354.334 2.736 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2C2CC2)c(F)cc1F ZINC001195201783 1004915838 /nfs/dbraw/zinc/91/58/38/1004915838.db2.gz ISVVTADJLYIEGI-UHFFFAOYSA-N -2 0 354.334 2.736 20 0 FFADRL CCCc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195205890 1004916675 /nfs/dbraw/zinc/91/66/75/1004916675.db2.gz SHAARUJOLXXBIA-UHFFFAOYSA-N -2 0 356.350 2.811 20 0 FFADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1OC ZINC001187542320 1006134040 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O=c1nc2cn[n-]c2c(O[C@@H]2CCCc3c(Br)cccc32)[nH]1 ZINC001233946229 1036837113 /nfs/dbraw/zinc/83/71/13/1036837113.db2.gz XJPZRDHWSQVREP-GFCCVEGCSA-N -2 0 361.199 2.865 20 0 FFADRL O=C([O-])c1cccnc1-n1[n-]c(-c2ccc(C(F)(F)F)nc2)cc1=O ZINC001245910430 1039145009 /nfs/dbraw/zinc/14/50/09/1039145009.db2.gz GSKSOOPMFZFGMF-UHFFFAOYSA-N -2 0 350.256 2.752 20 0 FFADRL O=P([O-])([O-])Oc1ccccc1-c1nnc(Cc2ccc(F)cc2)o1 ZINC001251929437 1039359996 /nfs/dbraw/zinc/35/99/96/1039359996.db2.gz BEWMXAAILQFIDP-UHFFFAOYSA-N -2 0 350.242 2.938 20 0 FFADRL Cn1nc(C2CC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212079 1039805325 /nfs/dbraw/zinc/80/53/25/1039805325.db2.gz DYKGDRPHGVAVJJ-UHFFFAOYSA-N -2 0 373.793 2.589 20 0 FFADRL O=S(=O)([N-]c1cc(Br)cc(Cl)c1[O-])C1CCOCC1 ZINC001259916648 1040295264 /nfs/dbraw/zinc/29/52/64/1040295264.db2.gz KDQGPWYUESBJRO-UHFFFAOYSA-N -2 0 370.652 2.729 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nc3c(cccc3O)s2)c1 ZINC001260182564 1040443277 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CC(C)c1cccc(CNC(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001591987368 976612124 /nfs/dbraw/zinc/61/21/24/976612124.db2.gz ORWWXGNAIJRYMM-NGEICVOHSA-N -2 0 374.437 2.517 20 0 FFADRL C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccsc1 ZINC001592277886 977557572 /nfs/dbraw/zinc/55/75/72/977557572.db2.gz JDKAQQQMZSQFLQ-KRWDZBQOSA-N -2 0 365.382 2.885 20 0 FFADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000253599654 980023376 /nfs/dbraw/zinc/02/33/76/980023376.db2.gz XIJSDTWIHZGQPK-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL CC[C@H](C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001595010607 982941970 /nfs/dbraw/zinc/94/19/70/982941970.db2.gz UTBRRLZTSZWHEN-SUNNNVNVSA-N -2 0 359.422 2.838 20 0 FFADRL CCCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])cc1C(C)C ZINC001595965897 983169179 /nfs/dbraw/zinc/16/91/79/983169179.db2.gz YUNDDZLCFRZMLB-GFCCVEGCSA-N -2 0 371.455 2.515 20 0 FFADRL CCCc1ccc(CCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001596062960 983373531 /nfs/dbraw/zinc/37/35/31/983373531.db2.gz OPZLMOAZOPMQRF-UONOGXRCSA-N -2 0 369.483 2.517 20 0 FFADRL CCCc1ccc(CCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001596062957 983373884 /nfs/dbraw/zinc/37/38/84/983373884.db2.gz OPZLMOAZOPMQRF-KBPBESRZSA-N -2 0 369.483 2.517 20 0 FFADRL CCCc1csc([N-]S(=O)(=O)c2cc(COC)cc(C(=O)[O-])c2)n1 ZINC001596074735 983390017 /nfs/dbraw/zinc/39/00/17/983390017.db2.gz KHHJJBLXISGOQD-UHFFFAOYSA-N -2 0 370.452 2.741 20 0 FFADRL CCCn1ccc2cc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)ccc21 ZINC001596115823 983446024 /nfs/dbraw/zinc/44/60/24/983446024.db2.gz JOFDXOZEIAMQJI-UHFFFAOYSA-N -2 0 359.407 2.945 20 0 FFADRL CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001596696990 984850090 /nfs/dbraw/zinc/85/00/90/984850090.db2.gz BCWGFBHFMNHMGK-UHFFFAOYSA-N -2 0 373.383 2.563 20 0 FFADRL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c1 ZINC001596706098 984906856 /nfs/dbraw/zinc/90/68/56/984906856.db2.gz HCPSSPZEXURLIE-UHFFFAOYSA-N -2 0 373.383 2.563 20 0 FFADRL O=P([O-])([O-])OCCNc1cc2c(c(OCc3ccccc3)c1)OCO2 ZINC001168591842 985682409 /nfs/dbraw/zinc/68/24/09/985682409.db2.gz FNHFNGNPBSAPFA-UHFFFAOYSA-N -2 0 367.294 2.516 20 0 FFADRL CCOCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)cc1 ZINC001596966517 986175896 /nfs/dbraw/zinc/17/58/96/986175896.db2.gz WCDNTIRBZUPIIB-UHFFFAOYSA-N -2 0 359.787 2.969 20 0 FFADRL CCc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])sc1-c1ccccc1 ZINC001597432025 987774273 /nfs/dbraw/zinc/77/42/73/987774273.db2.gz VRRUDHQBLCWAPY-SNVBAGLBSA-N -2 0 367.448 2.510 20 0 FFADRL CCc1cccc(C)c1NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001597579486 988380493 /nfs/dbraw/zinc/38/04/93/988380493.db2.gz ZJVUKJVCLJRUFN-SHYRYGCCSA-N -2 0 360.410 2.587 20 0 FFADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])n1 ZINC001597604283 988480095 /nfs/dbraw/zinc/48/00/95/988480095.db2.gz KNWWDIARUQNUCG-UHFFFAOYSA-N -2 0 354.366 2.727 20 0 FFADRL CCc1ccccc1-n1cc([O-])c(C(=O)NCc2ccc(C(=O)[O-])s2)n1 ZINC001597604842 988484177 /nfs/dbraw/zinc/48/41/77/988484177.db2.gz SSMWTUTUWTYGAS-UHFFFAOYSA-N -2 0 371.418 2.830 20 0 FFADRL CCc1nc([N-]S(=O)(=O)c2cc3ccccc3o2)sc1C(=O)[O-] ZINC001597685711 988841656 /nfs/dbraw/zinc/84/16/56/988841656.db2.gz YRIKISYGZYBWJW-UHFFFAOYSA-N -2 0 352.393 2.951 20 0 FFADRL CCc1ncc([N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)cn1 ZINC001597702378 988928188 /nfs/dbraw/zinc/92/81/88/988928188.db2.gz FVIXBQNXUWKTDO-UHFFFAOYSA-N -2 0 361.832 2.561 20 0 FFADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001597717507 988986086 /nfs/dbraw/zinc/98/60/86/988986086.db2.gz DDONYFIMHVYRRL-LLVKDONJSA-N -2 0 365.455 2.534 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC001597792001 989328893 /nfs/dbraw/zinc/32/88/93/989328893.db2.gz UYPDQSBVSTYWGM-UHFFFAOYSA-N -2 0 361.379 2.731 20 0 FFADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n[n-]1 ZINC001590362829 989817383 /nfs/dbraw/zinc/81/73/83/989817383.db2.gz IPQXFUDVQIWTTH-UHFFFAOYSA-N -2 0 365.773 2.969 20 0 FFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)c1C ZINC001597943476 989922599 /nfs/dbraw/zinc/92/25/99/989922599.db2.gz WMTKGTGIFFOTFU-SNVBAGLBSA-N -2 0 351.428 2.509 20 0 FFADRL CC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001590398338 989929458 /nfs/dbraw/zinc/92/94/58/989929458.db2.gz AYOCOMSSPYYZHB-UHFFFAOYSA-N -2 0 352.412 2.829 20 0 FFADRL CC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001590399121 989933456 /nfs/dbraw/zinc/93/34/56/989933456.db2.gz WVGJNLSTNGHGKJ-UHFFFAOYSA-N -2 0 364.423 2.896 20 0 FFADRL CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001598146125 990622005 /nfs/dbraw/zinc/62/20/05/990622005.db2.gz YZEVGMRZYVVUPX-UHFFFAOYSA-N -2 0 370.408 2.552 20 0 FFADRL COc1cncc(S(=O)(=O)[N-]c2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001599727093 991646908 /nfs/dbraw/zinc/64/69/08/991646908.db2.gz HOIAUWLLHIAEMY-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL CC(C)C[C@H](CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)CC(=O)[O-] ZINC001591449018 992554693 /nfs/dbraw/zinc/55/46/93/992554693.db2.gz XRTIQNOKQGKSEI-XJKSGUPXSA-N -2 0 362.426 2.517 20 0 FFADRL C[C@@](NC(=O)c1cc(F)c(F)c([O-])c1F)(C(=O)[O-])c1ccc(F)cc1 ZINC001593156592 993975162 /nfs/dbraw/zinc/97/51/62/993975162.db2.gz UJVJODZTWNBIOI-INIZCTEOSA-N -2 0 357.259 2.678 20 0 FFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc([C@H](C)C(=O)[O-])c1 ZINC001599682580 995006229 /nfs/dbraw/zinc/00/62/29/995006229.db2.gz QOPBVRSJUUASED-NSHDSACASA-N -2 0 365.407 2.693 20 0 FFADRL COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC001598692574 995087358 /nfs/dbraw/zinc/08/73/58/995087358.db2.gz QNXPJTNGNYUDQK-SECBINFHSA-N -2 0 369.420 2.524 20 0 FFADRL C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001593658493 996032562 /nfs/dbraw/zinc/03/25/62/996032562.db2.gz HSFPQRDKNMVQBZ-RQJHMYQMSA-N -2 0 365.329 2.937 20 0 FFADRL CC1(CC(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)CCCCC1 ZINC001593996924 997309689 /nfs/dbraw/zinc/30/96/89/997309689.db2.gz BEAXFDDEPPMFLW-UHFFFAOYSA-N -2 0 371.430 2.618 20 0 FFADRL COc1c(C)cc(S(=O)(=O)[N-]c2c(C)ccc(C(=O)[O-])c2O)cc1C ZINC001599332468 997771600 /nfs/dbraw/zinc/77/16/00/997771600.db2.gz CROVVDGTTZKCHN-UHFFFAOYSA-N -2 0 365.407 2.825 20 0 FFADRL CC1=C(C(=O)[O-])[C@@H](c2ccc3c(c2)CCC3)NC(=O)N1CCCCC(=O)[O-] ZINC001594098647 998084936 /nfs/dbraw/zinc/08/49/36/998084936.db2.gz XOOWZGZCJKGQPN-GOSISDBHSA-N -2 0 372.421 2.855 20 0 FFADRL COc1cc(S(=O)(=O)[N-]c2scnc2C(C)C)ccc1C(=O)[O-] ZINC001599460550 998265588 /nfs/dbraw/zinc/26/55/88/998265588.db2.gz BMFDKACIXZOQRA-UHFFFAOYSA-N -2 0 356.425 2.774 20 0 FFADRL C[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)sc2C1 ZINC001594450110 999646472 /nfs/dbraw/zinc/64/64/72/999646472.db2.gz BMDGMXZKGRUMDF-MRVPVSSYSA-N -2 0 370.427 2.906 20 0 FFADRL C[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2C1 ZINC001594451028 999649437 /nfs/dbraw/zinc/64/94/37/999649437.db2.gz SJDOUZWSSRDTRU-JTQLQIEISA-N -2 0 366.464 2.696 20 0 FFADRL O=C(Nc1ccc(F)c2cnccc12)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926345 1001240746 /nfs/dbraw/zinc/24/07/46/1001240746.db2.gz KIJXNXFGBWCTIH-UHFFFAOYSA-N -2 0 362.338 2.579 20 0 FFADRL CC1=C[C@@H]2[C@H]([C@@H](C)C(=O)NCCOP(=O)([O-])[O-])CC[C@@H](C)[C@@H]2CC1 ZINC001184503981 1002642743 /nfs/dbraw/zinc/64/27/43/1002642743.db2.gz OODNAHOAJXNNAD-OWYFMNJBSA-N -2 0 359.403 2.867 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2C2CCC2)ccc1F ZINC001186150735 1003199115 /nfs/dbraw/zinc/19/91/15/1003199115.db2.gz LHLJTYYRGYUXSH-UHFFFAOYSA-N -2 0 350.371 2.987 20 0 FFADRL O=S(=O)([N-]c1nc(Br)ccc1[O-])C(Cl)(Cl)Cl ZINC001192001944 1004017645 /nfs/dbraw/zinc/01/76/45/1004017645.db2.gz ZMOBTDLKFYKCHJ-UHFFFAOYSA-N -2 0 370.439 2.619 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2ccsc2C(C)=O)cc1C(=O)[O-] ZINC001192615393 1004217373 /nfs/dbraw/zinc/21/73/73/1004217373.db2.gz RBONDYFOMHGBFT-UHFFFAOYSA-N -2 0 369.420 2.848 20 0 FFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cnc3ccsc3c2)cc1 ZINC001192685844 1004237579 /nfs/dbraw/zinc/23/75/79/1004237579.db2.gz URJJJWOEFFYRQB-UHFFFAOYSA-N -2 0 364.404 2.561 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCC3)c(Cl)cc1F ZINC001194010985 1004629834 /nfs/dbraw/zinc/62/98/34/1004629834.db2.gz QJSVESFXHPWLHD-UHFFFAOYSA-N -2 0 371.773 2.913 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n(-c2ccccc2)n1 ZINC001198730672 1004714195 /nfs/dbraw/zinc/71/41/95/1004714195.db2.gz VQSUUPXYLOLCJG-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL Cc1cc(Br)nc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198740472 1004718495 /nfs/dbraw/zinc/71/84/95/1004718495.db2.gz HFHYTFPKWKHOGG-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2cccs2)no1 ZINC001198741121 1004718976 /nfs/dbraw/zinc/71/89/76/1004718976.db2.gz ODPQBTOUNUQBRK-UHFFFAOYSA-N -2 0 350.377 2.902 20 0 FFADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccnc1-c1ccccn1 ZINC001198746282 1004721374 /nfs/dbraw/zinc/72/13/74/1004721374.db2.gz BIHPTNLOAXEDOQ-UHFFFAOYSA-N -2 0 355.375 2.643 20 0 FFADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1F ZINC001198790554 1004729394 /nfs/dbraw/zinc/72/93/94/1004729394.db2.gz YUEZGXXUHWAEQZ-UHFFFAOYSA-N -2 0 367.354 2.501 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)c(F)cc1F ZINC001195202112 1004915424 /nfs/dbraw/zinc/91/54/24/1004915424.db2.gz NSSRSPPNYOUKHQ-UHFFFAOYSA-N -2 0 366.704 2.651 20 0 FFADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2ccc(C3CC3)cc2)c1 ZINC001201684867 1005257819 /nfs/dbraw/zinc/25/78/19/1005257819.db2.gz SGHMDPXATVVMBJ-UHFFFAOYSA-N -2 0 369.420 2.801 20 0 FFADRL COc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187540541 1006132127 /nfs/dbraw/zinc/13/21/27/1006132127.db2.gz WQWLPKRPXLORDN-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cn1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cnc21 ZINC001187547995 1006139336 /nfs/dbraw/zinc/13/93/36/1006139336.db2.gz KIJZQGWFUGVBKV-UHFFFAOYSA-N -2 0 365.798 2.726 20 0 FFADRL Cn1cnc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)c21 ZINC001187582322 1006163382 /nfs/dbraw/zinc/16/33/82/1006163382.db2.gz SKVOAOPREDCYAQ-UHFFFAOYSA-N -2 0 365.798 2.726 20 0 FFADRL CN(CC/C=C/c1cccnc1)C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189886280 1007355682 /nfs/dbraw/zinc/35/56/82/1007355682.db2.gz DKQIJELBSYDSLP-QPJJXVBHSA-N -2 0 362.322 2.729 20 0 FFADRL CC1(c2ccc(NC(=O)c3ccccc3OP(=O)([O-])[O-])cc2)COC1 ZINC001189889137 1007357135 /nfs/dbraw/zinc/35/71/35/1007357135.db2.gz PBIWUSFOBYOSNQ-UHFFFAOYSA-N -2 0 363.306 2.698 20 0 FFADRL O=C(NCc1nccc2ccccc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189899790 1007366240 /nfs/dbraw/zinc/36/62/40/1007366240.db2.gz IKBSPSHAESGFIS-UHFFFAOYSA-N -2 0 358.290 2.636 20 0 FFADRL Cc1cccc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c1C ZINC001173953132 1013026796 /nfs/dbraw/zinc/02/67/96/1013026796.db2.gz VXLBHJUVESRUDJ-UHFFFAOYSA-N -2 0 357.409 2.540 20 0 FFADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C3CC3)cc2)c1 ZINC000678478967 1017247951 /nfs/dbraw/zinc/24/79/51/1017247951.db2.gz PAEKSEIRAOTTPX-UHFFFAOYSA-N -2 0 361.375 2.761 20 0 FFADRL CSc1ccc(Oc2cc(NCCOP(=O)([O-])[O-])ncn2)cc1 ZINC001157790704 1029665397 /nfs/dbraw/zinc/66/53/97/1029665397.db2.gz DNHFHRHXBLMJIV-UHFFFAOYSA-N -2 0 357.328 2.512 20 0 FFADRL Cc1ccccc1Oc1nc(Cl)ncc1NCCOP(=O)([O-])[O-] ZINC001157795632 1029666709 /nfs/dbraw/zinc/66/67/09/1029666709.db2.gz IDBIRZCMWJJDCW-UHFFFAOYSA-N -2 0 359.706 2.752 20 0 FFADRL O=c1cc(-c2ccc(F)c(F)c2)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245946287 1039155565 /nfs/dbraw/zinc/15/55/65/1039155565.db2.gz VPBHIGHFPYXOIW-UHFFFAOYSA-N -2 0 352.318 2.770 20 0 FFADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CC2CCCCC2)c1 ZINC001259613028 1040111680 /nfs/dbraw/zinc/11/16/80/1040111680.db2.gz PUDZIWJHVRJXEJ-UHFFFAOYSA-N -2 0 361.485 2.508 20 0 FFADRL O=S(=O)(CCc1ccccc1)[N-]c1ncc(Br)cc1[O-] ZINC001259732157 1040149252 /nfs/dbraw/zinc/14/92/52/1040149252.db2.gz QWRZEOLEPDELRP-UHFFFAOYSA-N -2 0 357.229 2.534 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)cc1 ZINC001259996772 1040335878 /nfs/dbraw/zinc/33/58/78/1040335878.db2.gz LWXHCOHFKNEAOF-UHFFFAOYSA-N -2 0 350.377 2.902 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cncc(-c3ccccn3)c2)c1 ZINC001260210625 1040464316 /nfs/dbraw/zinc/46/43/16/1040464316.db2.gz QNXVFHDETLJMQF-UHFFFAOYSA-N -2 0 373.365 2.782 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](O)CCC3)c1 ZINC001260215902 1040467152 /nfs/dbraw/zinc/46/71/52/1040467152.db2.gz GNNZHFHDUIOXKV-HNNXBMFYSA-N -2 0 365.382 2.694 20 0 FFADRL COc1cc(C(C)=O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC001260228874 1040477997 /nfs/dbraw/zinc/47/79/97/1040477997.db2.gz CXDSPDOEOYOENA-UHFFFAOYSA-N -2 0 367.354 2.536 20 0 FFADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3cccc4cccnc43)no2)c1 ZINC001215454363 1041788745 /nfs/dbraw/zinc/78/87/45/1041788745.db2.gz WIKCJYPXPPJMND-UHFFFAOYSA-N -2 0 369.358 2.904 20 0 FFADRL O=C([N-]C1CCN(Cc2cc(Cl)nc(Cl)c2[O-])CC1)C(F)(F)F ZINC001237536490 1043225371 /nfs/dbraw/zinc/22/53/71/1043225371.db2.gz DTNARTCGAVMPCL-UHFFFAOYSA-N -2 0 372.174 2.737 20 0 FFADRL COc1ccccc1-n1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1=O ZINC001242163630 1044692870 /nfs/dbraw/zinc/69/28/70/1044692870.db2.gz DALLEYPPJHIQPV-UHFFFAOYSA-N -2 0 365.341 2.910 20 0 FFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1F ZINC001343583566 1052319817 /nfs/dbraw/zinc/31/98/17/1052319817.db2.gz ZKXVXVZWJBNQOZ-UHFFFAOYSA-N -2 0 370.255 2.811 20 0 FFADRL Cc1cc(C(=O)Nc2ccccc2-c2ncco2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001585188248 1079436395 /nfs/dbraw/zinc/43/63/95/1079436395.db2.gz HUHAUCRMLIVVOF-UHFFFAOYSA-N -2 0 363.333 2.652 20 0 FFADRL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccc2oc(=S)[n-]c2c1 ZINC001556541871 1075751843 /nfs/dbraw/zinc/75/18/43/1075751843.db2.gz LAADHRFOOUNIFC-UHFFFAOYSA-N -2 0 353.363 2.860 20 0 FFADRL CC(C)C[C@H](CNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001588858753 1080220183 /nfs/dbraw/zinc/22/01/83/1080220183.db2.gz VFOQZACFQZDKJC-LLVKDONJSA-N -2 0 365.817 2.708 20 0 FFADRL CCC(CC)(CNC(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001589498099 1080564595 /nfs/dbraw/zinc/56/45/95/1080564595.db2.gz QDOHLYRYZLXIJP-UHFFFAOYSA-N -2 0 362.195 2.915 20 0 FFADRL C[C@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cn(C)nc2C(C)(C)C)c1 ZINC001589539579 1080592195 /nfs/dbraw/zinc/59/21/95/1080592195.db2.gz JECQFLIWUSJOCJ-NSHDSACASA-N -2 0 365.455 2.707 20 0 FFADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001589595502 1080626472 /nfs/dbraw/zinc/62/64/72/1080626472.db2.gz WEJBPXSXEOEECN-BBRMVZONSA-N -2 0 362.426 2.735 20 0 FFADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000272425991 252036651 /nfs/dbraw/zinc/03/66/51/252036651.db2.gz OZNAFBGOKQGTRA-UHFFFAOYSA-N -2 0 359.354 2.772 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000325511561 258116006 /nfs/dbraw/zinc/11/60/06/258116006.db2.gz DWUJLRSUSKKBJQ-UHFFFAOYSA-N -2 0 369.336 2.923 20 0 FFADRL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013278791 506936341 /nfs/dbraw/zinc/93/63/41/506936341.db2.gz XBIZGQNBHCZYMN-UHFFFAOYSA-N -2 0 363.391 2.589 20 0 FFADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Cl ZINC000063443741 507730356 /nfs/dbraw/zinc/73/03/56/507730356.db2.gz YPKGMDOPFNZWJW-UHFFFAOYSA-N -2 0 374.827 2.859 20 0 FFADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1C ZINC000156369478 508409552 /nfs/dbraw/zinc/40/95/52/508409552.db2.gz VAKBPZKNXZLBQS-UHFFFAOYSA-N -2 0 369.418 2.938 20 0 FFADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)c2C)o1 ZINC000135405683 508599933 /nfs/dbraw/zinc/59/99/33/508599933.db2.gz BYQVIKYLEYMOSE-UHFFFAOYSA-N -2 0 365.367 2.687 20 0 FFADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000126089877 509062194 /nfs/dbraw/zinc/06/21/94/509062194.db2.gz XDIYRIKWKFSIIY-UHFFFAOYSA-N -2 0 371.418 2.609 20 0 FFADRL CCn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1C1CC1 ZINC000267338454 509453328 /nfs/dbraw/zinc/45/33/28/509453328.db2.gz HEOGTBNYDWALMC-UHFFFAOYSA-N -2 0 367.402 2.727 20 0 FFADRL CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)[O-] ZINC000261647989 510013494 /nfs/dbraw/zinc/01/34/94/510013494.db2.gz HGAUPAACOADZMQ-SECBINFHSA-N -2 0 359.753 2.746 20 0 FFADRL Cc1cccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1F ZINC000262377842 510261662 /nfs/dbraw/zinc/26/16/62/510261662.db2.gz GMVURWYOCRVYMD-HNNXBMFYSA-N -2 0 365.426 2.889 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC000187726058 510403732 /nfs/dbraw/zinc/40/37/32/510403732.db2.gz XFRIMSBQPDSCEU-LLVKDONJSA-N -2 0 363.439 2.916 20 0 FFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000181771250 510584880 /nfs/dbraw/zinc/58/48/80/510584880.db2.gz JLPFJVGZKFVQAW-LBPRGKRZSA-N -2 0 351.428 2.843 20 0 FFADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000324796129 511840049 /nfs/dbraw/zinc/84/00/49/511840049.db2.gz LNMSSAQWBIOUGE-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL Cc1ccc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC000324847842 511841348 /nfs/dbraw/zinc/84/13/48/511841348.db2.gz DKXOJCPIDXDUIV-UHFFFAOYSA-N -2 0 350.352 2.711 20 0 FFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2sc(C)cc2C)c(C(=O)[O-])c1 ZINC000326784046 511864239 /nfs/dbraw/zinc/86/42/39/511864239.db2.gz PIUGKEFLXHUHEK-UHFFFAOYSA-N -2 0 368.436 2.822 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1 ZINC000392753294 512928540 /nfs/dbraw/zinc/92/85/40/512928540.db2.gz BUSMMWZTKKVUIZ-UHFFFAOYSA-N -2 0 374.340 2.918 20 0 FFADRL Cc1ccc(Cc2n[n-]c(=NC(=O)NCCCCCC(=O)[O-])s2)cc1 ZINC000417747162 513194153 /nfs/dbraw/zinc/19/41/53/513194153.db2.gz HAEGENWQJADMHX-UHFFFAOYSA-N -2 0 362.455 3.204 20 0 FFADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000434631747 513375106 /nfs/dbraw/zinc/37/51/06/513375106.db2.gz RPGAWEWHVPBIMX-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL COc1cc(C)cc(NS(=O)(=O)c2ccc(O)c(NC(C)=O)c2)c1C ZINC000447262727 513429404 /nfs/dbraw/zinc/42/94/04/513429404.db2.gz GEIDUNMFVYFGFR-UHFFFAOYSA-N -2 0 364.423 2.777 20 0 FFADRL COc1cc(C)cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1C ZINC000447279894 513435131 /nfs/dbraw/zinc/43/51/31/513435131.db2.gz UKHPKZFXKXOZBZ-UHFFFAOYSA-N -2 0 365.407 2.825 20 0 FFADRL CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000451105304 513525187 /nfs/dbraw/zinc/52/51/87/513525187.db2.gz UIKVDRQFDYYVSE-UHFFFAOYSA-N -2 0 374.415 2.670 20 0 FFADRL CO[C@H]1CCOc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cccc21 ZINC000447787726 513568609 /nfs/dbraw/zinc/56/86/09/513568609.db2.gz OEWIXZILLDBYQH-LBPRGKRZSA-N -2 0 369.420 2.717 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1O ZINC000436603499 513913735 /nfs/dbraw/zinc/91/37/35/513913735.db2.gz HMNGVZGKLGKBNB-UHFFFAOYSA-N -2 0 367.326 2.972 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000436641519 513926651 /nfs/dbraw/zinc/92/66/51/513926651.db2.gz NLLMXJZHVYNQMH-UHFFFAOYSA-N -2 0 357.771 2.559 20 0 FFADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)c1 ZINC000436847241 514005191 /nfs/dbraw/zinc/00/51/91/514005191.db2.gz PDNIFFXDEYOJDB-UHFFFAOYSA-N -2 0 363.725 2.823 20 0 FFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1 ZINC000436901306 514027963 /nfs/dbraw/zinc/02/79/63/514027963.db2.gz GUGSXRCILSXSMO-UHFFFAOYSA-N -2 0 373.333 2.535 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)sc1C(=O)[O-] ZINC000461339640 514572935 /nfs/dbraw/zinc/57/29/35/514572935.db2.gz AHQQDCLMYZOCEG-UHFFFAOYSA-N -2 0 365.436 2.751 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000466257969 514589318 /nfs/dbraw/zinc/58/93/18/514589318.db2.gz QGMFOWHLBBSDKD-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C(=O)[O-])cc1C ZINC000507983206 514630687 /nfs/dbraw/zinc/63/06/87/514630687.db2.gz HWVAMLIUTMKIMA-UHFFFAOYSA-N -2 0 363.391 2.809 20 0 FFADRL CCCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC000479576722 514638327 /nfs/dbraw/zinc/63/83/27/514638327.db2.gz SBOBENQBTZAGHR-UHFFFAOYSA-N -2 0 354.384 2.661 20 0 FFADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000466472411 514656071 /nfs/dbraw/zinc/65/60/71/514656071.db2.gz HUPMMWCHPZZFRV-UHFFFAOYSA-N -2 0 371.418 2.934 20 0 FFADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C(C)C ZINC000480209044 514880743 /nfs/dbraw/zinc/88/07/43/514880743.db2.gz MCWFHUCYUDARGM-UHFFFAOYSA-N -2 0 368.459 2.644 20 0 FFADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2C(=O)[O-])c1 ZINC000485206774 514954681 /nfs/dbraw/zinc/95/46/81/514954681.db2.gz LGVGXVJHHHQNQI-UHFFFAOYSA-N -2 0 351.428 2.700 20 0 FFADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000509103949 515024887 /nfs/dbraw/zinc/02/48/87/515024887.db2.gz SLNBQRYTHVKCCT-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000467759398 515104931 /nfs/dbraw/zinc/10/49/31/515104931.db2.gz OVLFUUIXSDKAEE-UHFFFAOYSA-N -2 0 351.380 2.876 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])CCCC3)nc1C ZINC000509396979 515156888 /nfs/dbraw/zinc/15/68/88/515156888.db2.gz PJVOTANBRLOXOT-UHFFFAOYSA-N -2 0 363.439 2.589 20 0 FFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000509619150 515260066 /nfs/dbraw/zinc/26/00/66/515260066.db2.gz MAPRIIIGNKFXKR-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)s1 ZINC000504665859 515352712 /nfs/dbraw/zinc/35/27/12/515352712.db2.gz MVIZYUINNXEMJT-MRVPVSSYSA-N -2 0 358.466 2.818 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(C(=O)[O-])cc1C ZINC000478708699 515934279 /nfs/dbraw/zinc/93/42/79/515934279.db2.gz BUHNUJAHRCYVND-UHFFFAOYSA-N -3 0 355.393 2.562 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)[O-])cc1C ZINC000478713461 515937954 /nfs/dbraw/zinc/93/79/54/515937954.db2.gz ZOGQVPLSCRRRBB-UHFFFAOYSA-N -3 0 355.393 2.562 20 0 FFADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000507009253 516052924 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CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1C ZINC000540497659 516586495 /nfs/dbraw/zinc/58/64/95/516586495.db2.gz ZZUSPLSFBKPQIK-VIFPVBQESA-N -2 0 355.391 2.801 20 0 FFADRL CCOCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000547874506 516612720 /nfs/dbraw/zinc/61/27/20/516612720.db2.gz CRLRZMWMGOPDRF-UHFFFAOYSA-N -2 0 365.407 2.955 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1 ZINC000513812677 516764692 /nfs/dbraw/zinc/76/46/92/516764692.db2.gz PGUZRCOQVMEZAS-UHFFFAOYSA-N -2 0 355.799 2.864 20 0 FFADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000513815631 516766306 /nfs/dbraw/zinc/76/63/06/516766306.db2.gz YDFKTEOBQMNXEU-UHFFFAOYSA-N -2 0 363.391 2.589 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1C(=O)[O-] ZINC000536493474 516787922 /nfs/dbraw/zinc/78/79/22/516787922.db2.gz YGLDAPMBWRHUBX-UHFFFAOYSA-N -2 0 354.409 2.528 20 0 FFADRL Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)ccc12 ZINC000536699244 516898286 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CCc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)cc1C(=O)[O-] ZINC000564555707 518501212 /nfs/dbraw/zinc/50/12/12/518501212.db2.gz KYGIRKRMEIAPJS-UHFFFAOYSA-N -2 0 362.363 2.595 20 0 FFADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1 ZINC000570371450 518572045 /nfs/dbraw/zinc/57/20/45/518572045.db2.gz OSUCCDTXVCZKDC-UHFFFAOYSA-N -2 0 369.402 2.572 20 0 FFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000579711407 518815199 /nfs/dbraw/zinc/81/51/99/518815199.db2.gz BODATLLVAOKPGH-AWEZNQCLSA-N -2 0 371.437 2.857 20 0 FFADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2C(=O)[O-])cn1C ZINC000589148233 518929852 /nfs/dbraw/zinc/92/98/52/518929852.db2.gz QHTLMPKGXFZEDV-UHFFFAOYSA-N -2 0 351.428 2.525 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)cc1Cl ZINC000580373486 519139757 /nfs/dbraw/zinc/13/97/57/519139757.db2.gz ZTKCWFICJHIKHB-UHFFFAOYSA-N -2 0 368.754 2.686 20 0 FFADRL COc1cc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c(Cl)cc1C(=O)[O-] ZINC000583298324 519174594 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20 0 FFADRL C[NH+](C)Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737370639 600361075 /nfs/dbraw/zinc/36/10/75/600361075.db2.gz OBHVSDLAZPESFQ-UHFFFAOYSA-N -2 0 370.377 2.525 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1Cl ZINC000063180357 600482916 /nfs/dbraw/zinc/48/29/16/600482916.db2.gz GBKORBLPTJADIN-UHFFFAOYSA-N -2 0 374.733 2.886 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CC/C=C\c2ccccc2)c1 ZINC000739235440 600511636 /nfs/dbraw/zinc/51/16/36/600511636.db2.gz KDYCXAINYUDKKO-WTKPLQERSA-N -2 0 359.403 2.683 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1Br ZINC000832956050 600983138 /nfs/dbraw/zinc/98/31/38/600983138.db2.gz XVHQAQSTNSMNIR-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(OC)c1 ZINC000013346017 601317839 /nfs/dbraw/zinc/31/78/39/601317839.db2.gz FSBXKLVYPKFWRE-BJMVGYQFSA-N -2 0 363.391 2.602 20 0 FFADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000324366700 601321481 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Cc1nc(-c2ccc(S(=O)(=O)[N-]c3csnc3C(=O)[O-])cc2)co1 ZINC000832991415 601603880 /nfs/dbraw/zinc/60/38/80/601603880.db2.gz SMQNZTWWFLZTNK-UHFFFAOYSA-N -2 0 365.392 2.606 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)n2)c1 ZINC000827129229 601756585 /nfs/dbraw/zinc/75/65/85/601756585.db2.gz KHIJIUNJEQZOSP-AWEZNQCLSA-N -2 0 372.425 2.574 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1N1CCCC1 ZINC000832898527 601769470 /nfs/dbraw/zinc/76/94/70/601769470.db2.gz IVDLDHKNRRIYCT-UHFFFAOYSA-N -2 0 367.452 2.551 20 0 FFADRL Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000325373240 601772100 /nfs/dbraw/zinc/77/21/00/601772100.db2.gz TWGYPWFSTXLTHR-UHFFFAOYSA-N -2 0 365.436 2.531 20 0 FFADRL C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C[C@@H]1C(=O)[O-] ZINC000828388438 601801043 /nfs/dbraw/zinc/80/10/43/601801043.db2.gz YPRGVJQSNZMXEV-RCOVLWMOSA-N -2 0 362.607 2.601 20 0 FFADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751141112 601830821 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985678338 /nfs/dbraw/zinc/67/83/38/985678338.db2.gz KYEGKKGJIRILDI-UHFFFAOYSA-N -2 0 372.339 2.508 20 0 FFADRL Cc1c(C)n(C2CCCC2)c2ncnc(NCCOP(=O)([O-])[O-])c12 ZINC001168591309 985679056 /nfs/dbraw/zinc/67/90/56/985679056.db2.gz OPYSDBWWLCDIGH-UHFFFAOYSA-N -2 0 354.347 2.684 20 0 FFADRL O=P([O-])([O-])OCCNc1nc2cc(Br)ccc2s1 ZINC001168591450 985680753 /nfs/dbraw/zinc/68/07/53/985680753.db2.gz QWVOGPPCLNWJKE-UHFFFAOYSA-N -2 0 353.134 2.580 20 0 FFADRL CC(C)Oc1cc(Br)ccc1NCCOP(=O)([O-])[O-] ZINC001168596632 985736690 /nfs/dbraw/zinc/73/66/90/985736690.db2.gz WLIYAOJIVFFQLV-UHFFFAOYSA-N -2 0 354.137 2.758 20 0 FFADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2n1 ZINC001597482268 987977127 /nfs/dbraw/zinc/97/71/27/987977127.db2.gz BUJGOVBUJCRRRR-UHFFFAOYSA-N -2 0 374.393 2.857 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(=O)[O-])CCOC3)cc1 ZINC001597562946 988313257 /nfs/dbraw/zinc/31/32/57/988313257.db2.gz ZUFLZEKUDZYUNV-UHFFFAOYSA-N -2 0 367.448 2.882 20 0 FFADRL CSc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001599817841 988458567 /nfs/dbraw/zinc/45/85/67/988458567.db2.gz WTBHRLZNTGJDHP-SKDRFNHKSA-N -2 0 352.412 2.681 20 0 FFADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001599831233 988678625 /nfs/dbraw/zinc/67/86/25/988678625.db2.gz XCGNPHLBZKNYAY-SNVBAGLBSA-N -2 0 367.810 2.647 20 0 FFADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])c(O)c1 ZINC001590493303 990095490 /nfs/dbraw/zinc/09/54/90/990095490.db2.gz JLVOQAUKWXLLTC-UHFFFAOYSA-N -2 0 350.396 2.584 20 0 FFADRL CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC001591058552 991473868 /nfs/dbraw/zinc/47/38/68/991473868.db2.gz PSGRPPZEZILVFL-INIZCTEOSA-N -2 0 361.419 2.842 20 0 FFADRL CC(C)CCc1nnc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC001591270575 992190777 /nfs/dbraw/zinc/19/07/77/992190777.db2.gz VXCUUCJLKCQNNP-UHFFFAOYSA-N -2 0 369.468 2.555 20 0 FFADRL CC(C)C[C@H](CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)CC(=O)[O-] ZINC001591448953 992554125 /nfs/dbraw/zinc/55/41/25/992554125.db2.gz VOAVRSUQYCRQDH-ZDUSSCGKSA-N -2 0 362.426 2.590 20 0 FFADRL CC(C)C[C@H](CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)CC(=O)[O-] ZINC001591449017 992554600 /nfs/dbraw/zinc/55/46/00/992554600.db2.gz XRTIQNOKQGKSEI-BBRMVZONSA-N -2 0 362.426 2.517 20 0 FFADRL C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593114956 993796793 /nfs/dbraw/zinc/79/67/93/993796793.db2.gz GXDAQYPIGGYUMM-HRDYMLBCSA-N -2 0 370.352 2.920 20 0 FFADRL C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593117852 993819639 /nfs/dbraw/zinc/81/96/39/993819639.db2.gz XIYXXTDWZJZNEO-JIMOISOXSA-N -2 0 366.389 2.710 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C(C)C)s2)c(F)c1 ZINC001599617906 994041917 /nfs/dbraw/zinc/04/19/17/994041917.db2.gz MCKHDNUKBOQSEQ-UHFFFAOYSA-N -2 0 374.415 2.913 20 0 FFADRL C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593325920 994871039 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FFADRL COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001599366489 998342382 /nfs/dbraw/zinc/34/23/82/998342382.db2.gz IWGHIZUSNOCTTA-UHFFFAOYSA-N -2 0 367.760 2.864 20 0 FFADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001599003165 998835902 /nfs/dbraw/zinc/83/59/02/998835902.db2.gz XKIGRHUMLUGTGJ-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC001599013763 998921477 /nfs/dbraw/zinc/92/14/77/998921477.db2.gz JQBUGRLGLFGXED-SECBINFHSA-N -2 0 369.420 2.524 20 0 FFADRL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1nc(C2CC2)c(C(=O)[O-])s1 ZINC001599043210 999132440 /nfs/dbraw/zinc/13/24/40/999132440.db2.gz JHKDVQBZHOQRTP-SNVBAGLBSA-N -2 0 362.473 2.522 20 0 FFADRL C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001594470536 999702336 /nfs/dbraw/zinc/70/23/36/999702336.db2.gz LEVVLJOSHQRBAC-BPLDGKMQSA-N -2 0 362.426 2.591 20 0 FFADRL O=P([O-])([O-])c1ccc(NC[C@@H](O)c2c(Cl)cccc2Cl)cc1 ZINC001170033401 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ZINC001187554661 1006122406 /nfs/dbraw/zinc/12/24/06/1006122406.db2.gz SBOLPAFDWYPWAR-UHFFFAOYSA-N -2 0 369.761 2.626 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc3ccccc3n2)ccc1Cl ZINC001188273087 1006497223 /nfs/dbraw/zinc/49/72/23/1006497223.db2.gz ZCBTWXJVGAJTFP-UHFFFAOYSA-N -2 0 363.782 2.782 20 0 FFADRL O=C(Nc1cnc(Cl)nc1Cl)c1ccccc1OP(=O)([O-])[O-] ZINC001189861446 1007310755 /nfs/dbraw/zinc/31/07/55/1007310755.db2.gz RVLAZYBDOTTXLP-UHFFFAOYSA-N -2 0 364.081 2.507 20 0 FFADRL COc1nc(NC(=O)c2ccccc2OP(=O)([O-])[O-])cc2ccccc21 ZINC001189872926 1007317211 /nfs/dbraw/zinc/31/72/11/1007317211.db2.gz YDJCFYVBRXTORU-UHFFFAOYSA-N -2 0 374.289 2.967 20 0 FFADRL O=S(=O)([N-]c1ccccn1)c1ccc(-c2cc(F)c([O-])cc2F)nc1 ZINC001206768208 1032416840 /nfs/dbraw/zinc/41/68/40/1032416840.db2.gz RNOMHEVCDYVHGE-UHFFFAOYSA-N -2 0 363.345 2.928 20 0 FFADRL O=P([O-])([O-])OCCNC(F)(F)c1ccc2c(Cl)nccc2c1 ZINC001157795991 1029666382 /nfs/dbraw/zinc/66/63/82/1029666382.db2.gz PROCZSFGZDTNGP-UHFFFAOYSA-N -2 0 352.661 2.636 20 0 FFADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H]3CCCCCC[C@@H]3C(=O)[O-])cc2=O)cc1 ZINC000832909832 1035024973 /nfs/dbraw/zinc/02/49/73/1035024973.db2.gz JVBCPGSUJCWIPH-JKSUJKDBSA-N -2 0 371.437 2.627 20 0 FFADRL C[C@H]1[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)CN1C(=O)OC(C)(C)C ZINC001234335886 1036990187 /nfs/dbraw/zinc/99/01/87/1036990187.db2.gz NJIRAAUCCAIVMY-GWCFXTLKSA-N -2 0 359.315 2.545 20 0 FFADRL CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234333556 1036990891 /nfs/dbraw/zinc/99/08/91/1036990891.db2.gz XCJHNFQZHAHILL-CQSZACIVSA-N -2 0 371.326 2.712 20 0 FFADRL O=C([O-])c1c(Cl)ccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)c1F ZINC001236165689 1037960403 /nfs/dbraw/zinc/96/04/03/1037960403.db2.gz WZVSZNMQMZPGCT-UHFFFAOYSA-N -2 0 370.745 2.668 20 0 FFADRL COc1ncc(-c2ccc3oc(=S)[n-]c3c2)cc1NS(C)(=O)=O ZINC001244792681 1038779627 /nfs/dbraw/zinc/77/96/27/1038779627.db2.gz ASVUHIIIVKGPIJ-UHFFFAOYSA-N -2 0 351.409 2.559 20 0 FFADRL O=S(=O)([O-])c1ccc2ccc([N-]S(=O)(=O)c3cccs3)cc2c1 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COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C)c(C)cc1C(=O)[O-] ZINC000478683430 515924093 /nfs/dbraw/zinc/92/40/93/515924093.db2.gz YIVACLFKFFCGKU-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000506709498 515960495 /nfs/dbraw/zinc/96/04/95/515960495.db2.gz ZDNVGXMGTLJURN-UHFFFAOYSA-N -2 0 365.407 2.649 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c(F)c1 ZINC000479178702 516090891 /nfs/dbraw/zinc/09/08/91/516090891.db2.gz BFHYBMVSLJQJIQ-NSHDSACASA-N -2 0 367.398 2.898 20 0 FFADRL C[C@H]1CC[C@@](CNS(=O)(=O)c2cc3ccccc3o2)(CC(=O)[O-])C1 ZINC000547572468 516414242 /nfs/dbraw/zinc/41/42/42/516414242.db2.gz BAVOGABVZGJSGC-SJCJKPOMSA-N -2 0 351.424 2.992 20 0 FFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1C ZINC000540497658 516586387 /nfs/dbraw/zinc/58/63/87/516586387.db2.gz ZZUSPLSFBKPQIK-SECBINFHSA-N -2 0 355.391 2.801 20 0 FFADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000518451222 516663862 /nfs/dbraw/zinc/66/38/62/516663862.db2.gz DSOFVZDQFSUHTG-UHFFFAOYSA-N -2 0 356.403 2.971 20 0 FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)cc2C)c(C(=O)[O-])c1 ZINC000524318835 516694218 /nfs/dbraw/zinc/69/42/18/516694218.db2.gz MLSSUUFSXTZVPH-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL CCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)co2)c(C(=O)[O-])c1 ZINC000513817895 516766685 /nfs/dbraw/zinc/76/66/85/516766685.db2.gz RDYISSUXCBKRCB-UHFFFAOYSA-N -2 0 367.379 2.518 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2c(C)cccc2F)c(C(=O)[O-])cc1OC ZINC000548199280 516823216 /nfs/dbraw/zinc/82/32/16/516823216.db2.gz ORWNHSNBYPMALB-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(C)cc1C(=O)[O-] ZINC000548262395 516855662 /nfs/dbraw/zinc/85/56/62/516855662.db2.gz HTTBTADSMFOYTP-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1[C@H](C)C1CC1 ZINC000541303700 516976573 /nfs/dbraw/zinc/97/65/73/516976573.db2.gz DGEZJAFUEOPHKJ-GFCCVEGCSA-N -2 0 363.439 2.590 20 0 FFADRL Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000548527393 517037304 /nfs/dbraw/zinc/03/73/04/517037304.db2.gz ZIDAQGIVZGZPRY-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000548540094 517043657 /nfs/dbraw/zinc/04/36/57/517043657.db2.gz YITXDOGORSNEFN-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000548545582 517045810 /nfs/dbraw/zinc/04/58/10/517045810.db2.gz ZXAIDKQRCMDWSK-UHFFFAOYSA-N -2 0 369.468 2.579 20 0 FFADRL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000548591433 517069613 /nfs/dbraw/zinc/06/96/13/517069613.db2.gz AEYXCLBPYNHRBB-QPUJVOFHSA-N -2 0 353.362 2.662 20 0 FFADRL Cc1cc(C(=O)Nc2cccc(OC(F)F)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000525690903 517119472 /nfs/dbraw/zinc/11/94/72/517119472.db2.gz KRPDUFZCFISYCY-UHFFFAOYSA-N -2 0 362.292 2.598 20 0 FFADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])s1 ZINC000541802610 517222543 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O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccccn23)c(Cl)cc1F ZINC001193971453 1004621224 /nfs/dbraw/zinc/62/12/24/1004621224.db2.gz DPRIQENWWLPQMJ-UHFFFAOYSA-N -2 0 369.761 2.626 20 0 FFADRL Cc1cc(CO)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC001194018127 1004630776 /nfs/dbraw/zinc/63/07/76/1004630776.db2.gz XSSPFZDGTRHNJY-UHFFFAOYSA-N -2 0 373.789 2.779 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2C2CC2)c(F)cc1F ZINC001195202193 1004915894 /nfs/dbraw/zinc/91/58/94/1004915894.db2.gz RZZULHCITAAYCC-UHFFFAOYSA-N -2 0 354.334 2.736 20 0 FFADRL C[C@@H](O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195238650 1004930744 /nfs/dbraw/zinc/93/07/44/1004930744.db2.gz RLPHNYYKYIPNIC-MRVPVSSYSA-N -2 0 357.334 2.517 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2snc3cccnc32)c1 ZINC001187554783 1006122493 /nfs/dbraw/zinc/12/24/93/1006122493.db2.gz SYOHVJJSOMCUAV-UHFFFAOYSA-N -2 0 369.811 2.844 20 0 FFADRL C[C@H](O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187540324 1006132055 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372.761 2.576 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccn3nccc23)c(F)cc1Cl ZINC001259214631 1039810450 /nfs/dbraw/zinc/81/04/50/1039810450.db2.gz ZLURYZGBDGRKGF-UHFFFAOYSA-N -2 0 369.761 2.626 20 0 FFADRL O=S(=O)(/C=C/c1ccccc1)[N-]c1ncc(Br)cc1[O-] ZINC001252952981 1039869766 /nfs/dbraw/zinc/86/97/66/1039869766.db2.gz YJQYALDTEXQLBO-VOTSOKGWSA-N -2 0 355.213 2.962 20 0 FFADRL Cc1cccc(-c2nnc(-c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)o2)c1 ZINC001253710087 1040336295 /nfs/dbraw/zinc/33/62/95/1040336295.db2.gz CBZCVLYMKOTNAK-UHFFFAOYSA-N -2 0 360.347 2.657 20 0 FFADRL Cc1c(Br)cncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183846 1040442872 /nfs/dbraw/zinc/44/28/72/1040442872.db2.gz DKCLMSYGORGECL-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL Cc1cnn(-c2ccccc2C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184220 1040444500 /nfs/dbraw/zinc/44/45/00/1040444500.db2.gz BUCFUQVINFOEKO-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL CC(C)c1c(Cl)ncnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260185241 1040444521 /nfs/dbraw/zinc/44/45/21/1040444521.db2.gz YEBWGSKATJAUDF-UHFFFAOYSA-N -2 0 355.803 2.752 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cn3c(cccc3Cl)n2)c1 ZINC001260210078 1040464486 /nfs/dbraw/zinc/46/44/86/1040464486.db2.gz AAOZOBRKYMIKLY-UHFFFAOYSA-N -2 0 369.761 2.626 20 0 FFADRL CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260216442 1040469130 /nfs/dbraw/zinc/46/91/30/1040469130.db2.gz ILHPJNZZBABDHG-UHFFFAOYSA-N -2 0 351.355 2.836 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2snnc2-c2ccccc2)cc1 ZINC001260221886 1040473361 /nfs/dbraw/zinc/47/33/61/1040473361.db2.gz YPUJEJIQQUCGRC-UHFFFAOYSA-N -2 0 361.404 2.704 20 0 FFADRL CCOc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260398846 1040576722 /nfs/dbraw/zinc/57/67/22/1040576722.db2.gz CYROTWDVIZKQRM-UHFFFAOYSA-N -2 0 351.380 2.598 20 0 FFADRL O=c1[nH]cnc([O-])c1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001260555175 1040651518 /nfs/dbraw/zinc/65/15/18/1040651518.db2.gz ZYJGQRGZAYYHJQ-UHFFFAOYSA-N -2 0 370.601 2.649 20 0 FFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)o1 ZINC001260868777 1040858335 /nfs/dbraw/zinc/85/83/35/1040858335.db2.gz JQNCSHVJLKILPL-UHFFFAOYSA-N -2 0 366.178 2.879 20 0 FFADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(Cl)c([O-])c2F)cc1 ZINC001214799168 1041573797 /nfs/dbraw/zinc/57/37/97/1041573797.db2.gz OPRHLSLTVSYYAW-UHFFFAOYSA-N -2 0 358.778 2.753 20 0 FFADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3cccc(F)c3F)no2)c1 ZINC001215454413 1041788870 /nfs/dbraw/zinc/78/88/70/1041788870.db2.gz YQNGVGQWZXENKT-UHFFFAOYSA-N -2 0 354.290 2.634 20 0 FFADRL O=P([O-])([O-])Oc1ccccc1-c1nc(-c2cccc3ccnn32)no1 ZINC001216746193 1042112323 /nfs/dbraw/zinc/11/23/23/1042112323.db2.gz MJYUCQVXNJLSHN-UHFFFAOYSA-N -2 0 358.250 2.523 20 0 FFADRL O=C(NCc1ccco1)c1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001240105793 1044222848 /nfs/dbraw/zinc/22/28/48/1044222848.db2.gz AIDZQUANKYOHJM-UHFFFAOYSA-N -2 0 357.302 2.680 20 0 FFADRL CCN(CC)C(=O)c1ccc(F)c(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001242005155 1044659604 /nfs/dbraw/zinc/65/96/04/1044659604.db2.gz ICYBVHULNRFWJB-UHFFFAOYSA-N -2 0 351.314 2.778 20 0 FFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc(OCc3ccccn3)cn2)c1 ZINC001242163603 1044692543 /nfs/dbraw/zinc/69/25/43/1044692543.db2.gz BRAMWDMEUUXPBY-UHFFFAOYSA-N -2 0 351.318 2.514 20 0 FFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc(OCc3ccccn3)nc2)c1 ZINC001242164064 1044692964 /nfs/dbraw/zinc/69/29/64/1044692964.db2.gz ZUUQEGZUGNFRQH-UHFFFAOYSA-N -2 0 351.318 2.514 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(-c3cc(C)cc(C(=O)[O-])c3)nc2)no1 ZINC001243176467 1044887542 /nfs/dbraw/zinc/88/75/42/1044887542.db2.gz DINFQOOFUJPCRQ-UHFFFAOYSA-N -2 0 373.390 2.852 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000738239825 1048673859 /nfs/dbraw/zinc/67/38/59/1048673859.db2.gz MRBGEQVGZRHRLV-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL COc1cc(S(=O)(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1F ZINC001200568731 1058620007 /nfs/dbraw/zinc/62/00/07/1058620007.db2.gz IPSXCOGEFVYXQJ-UHFFFAOYSA-N -2 0 363.370 2.526 20 0 FFADRL O=C([O-])CSCCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC001602098699 1059323155 /nfs/dbraw/zinc/32/31/55/1059323155.db2.gz UCCUZULBGMLVPB-UHFFFAOYSA-N -2 0 368.636 2.955 20 0 FFADRL C[C@@H](C(=O)[O-])c1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC001589505258 1080570548 /nfs/dbraw/zinc/57/05/48/1080570548.db2.gz SBGMMZMSXUUDOS-SSDOTTSWSA-N -2 0 355.466 2.746 20 0 FFADRL CC(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589609977 1080633376 /nfs/dbraw/zinc/63/33/76/1080633376.db2.gz QYQPLPXBOMAJMS-UHFFFAOYSA-N -2 0 361.427 2.849 20 0 FFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC001589638518 1080645845 /nfs/dbraw/zinc/64/58/45/1080645845.db2.gz HMXOGUSYZBHUAS-UHFFFAOYSA-N -2 0 367.361 2.644 20 0 FFADRL CC(C)(C(=O)[O-])c1csc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC001589657198 1080655796 /nfs/dbraw/zinc/65/57/96/1080655796.db2.gz SSDOHWQQWXWPML-UHFFFAOYSA-N -2 0 366.464 2.795 20 0 FFADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cccc(C(F)(F)F)c2[O-])n1 ZINC001589677795 1080665792 /nfs/dbraw/zinc/66/57/92/1080665792.db2.gz HBYGFDFYXLVQKC-UHFFFAOYSA-N -2 0 357.288 2.680 20 0 FFADRL CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001589772078 1080726270 /nfs/dbraw/zinc/72/62/70/1080726270.db2.gz ZCBCNDPFJDFZBG-UHFFFAOYSA-N -2 0 355.456 2.937 20 0 FFADRL CC(C)(C)OC(=O)N[C@@H](C(=O)[N-]OCCCC(=O)[O-])C1CCCCCC1 ZINC001590110382 1081020297 /nfs/dbraw/zinc/02/02/97/1081020297.db2.gz UMWOTMXPUSSSCR-OAHLLOKOSA-N -2 0 372.462 2.763 20 0 FFADRL O=S(=O)([O-])c1c([N-]S(=O)(=O)c2ccccc2)ccc2ccccc21 ZINC000013815849 211061871 /nfs/dbraw/zinc/06/18/71/211061871.db2.gz DAIIOCRLFAIQHA-UHFFFAOYSA-N -2 0 363.416 2.887 20 0 FFADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000272390411 252026525 /nfs/dbraw/zinc/02/65/25/252026525.db2.gz GZZVZIAJVNZNHC-UHFFFAOYSA-N -2 0 359.354 2.772 20 0 FFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccn(C(C)C)n2)cc1C(=O)[O-] ZINC000281272459 256623233 /nfs/dbraw/zinc/62/32/33/256623233.db2.gz XBPZAVSHWXQIPN-UHFFFAOYSA-N -2 0 373.818 2.625 20 0 FFADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc4c[nH]nc43)c1)CCCC2 ZINC000055581217 506786623 /nfs/dbraw/zinc/78/66/23/506786623.db2.gz BBGTUVPFJCXUBC-UHFFFAOYSA-N -2 0 371.418 2.941 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])sc1C(=O)[O-] ZINC000055587069 506790417 /nfs/dbraw/zinc/79/04/17/506790417.db2.gz TWDLMJPIHUGECF-UHFFFAOYSA-N -3 0 355.393 2.562 20 0 FFADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013348927 506939332 /nfs/dbraw/zinc/93/93/32/506939332.db2.gz QXFUCJNJEFKQGF-UHFFFAOYSA-N -2 0 363.391 2.671 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)cc1C(=O)[O-] ZINC000068076439 507101959 /nfs/dbraw/zinc/10/19/59/507101959.db2.gz AOQCAGBAXHTKOF-UHFFFAOYSA-N -2 0 367.427 2.536 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000090167131 507913680 /nfs/dbraw/zinc/91/36/80/507913680.db2.gz KTYGTOIBKJMWRB-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000179164244 509297820 /nfs/dbraw/zinc/29/78/20/509297820.db2.gz MTKYZLGTHVKURZ-UHFFFAOYSA-N -2 0 351.428 2.627 20 0 FFADRL CCc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000189460604 509585862 /nfs/dbraw/zinc/58/58/62/509585862.db2.gz APXFNOYKTVRQNR-UHFFFAOYSA-N -2 0 374.422 2.570 20 0 FFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1OC ZINC000271346340 511172113 /nfs/dbraw/zinc/17/21/13/511172113.db2.gz FEOPJIMVCRPOJI-UHFFFAOYSA-N -2 0 371.436 2.881 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@H]2CCOC2)cc1 ZINC000295261471 511341013 /nfs/dbraw/zinc/34/10/13/511341013.db2.gz YCYGZNDIGHUHOA-LBPRGKRZSA-N -2 0 351.380 2.591 20 0 FFADRL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000316233477 511802907 /nfs/dbraw/zinc/80/29/07/511802907.db2.gz FVMVRXIWMDCSJT-UHFFFAOYSA-N -2 0 360.844 2.967 20 0 FFADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000319580766 511809466 /nfs/dbraw/zinc/80/94/66/511809466.db2.gz SNPCELFBIPANAW-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL COc1ncccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000321902749 511822144 /nfs/dbraw/zinc/82/21/44/511822144.db2.gz QMKZVIOXZPALPY-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000324553818 511837309 /nfs/dbraw/zinc/83/73/09/511837309.db2.gz WKTPMYQLESLJRX-LLVKDONJSA-N -2 0 352.412 2.701 20 0 FFADRL Cc1nc(C=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)[nH]c(=O)c1CCC(=O)[O-] ZINC000285022244 511971957 /nfs/dbraw/zinc/97/19/57/511971957.db2.gz IBRHJWNAPJSOPS-BIPYJSMBSA-N -2 0 372.377 2.530 20 0 FFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1O ZINC000392396201 512925047 /nfs/dbraw/zinc/92/50/47/512925047.db2.gz GXOCYWOUDDRZTC-UHFFFAOYSA-N -2 0 361.297 2.910 20 0 FFADRL COc1cc(S(=O)(=O)[N-]c2ccccc2O)c(Cl)cc1C(=O)[O-] ZINC000433802212 513153492 /nfs/dbraw/zinc/15/34/92/513153492.db2.gz OFKURAIINYXXCD-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL O=C([O-])[C@@H]1CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000417793402 513210246 /nfs/dbraw/zinc/21/02/46/513210246.db2.gz PACDYGTUVZGXIC-SECBINFHSA-N -2 0 366.830 2.609 20 0 FFADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000446642248 513303105 /nfs/dbraw/zinc/30/31/05/513303105.db2.gz NKIWNXIJDRBQHK-UHFFFAOYSA-N -2 0 353.421 2.916 20 0 FFADRL Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000451071150 513496749 /nfs/dbraw/zinc/49/67/49/513496749.db2.gz QOAVSRNEYMRAAI-UHFFFAOYSA-N -2 0 350.396 2.676 20 0 FFADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000435722099 513668062 /nfs/dbraw/zinc/66/80/62/513668062.db2.gz LOEMXLXJLPIXCO-UHFFFAOYSA-N -2 0 361.419 2.991 20 0 FFADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000436019116 513737377 /nfs/dbraw/zinc/73/73/77/513737377.db2.gz GTPZDLLWRGLIJA-UHFFFAOYSA-N -2 0 369.402 2.572 20 0 FFADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1C ZINC000436650254 513930784 /nfs/dbraw/zinc/93/07/84/513930784.db2.gz VVEHKENRDMLPTA-JTQLQIEISA-N -2 0 367.427 2.676 20 0 FFADRL O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)c1cc(F)ccc1[O-] ZINC000436905045 514027532 /nfs/dbraw/zinc/02/75/32/514027532.db2.gz NFERZDZKHRHSDP-UHFFFAOYSA-N -2 0 365.336 2.926 20 0 FFADRL COC(C)(C)CS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC000414383161 514081211 /nfs/dbraw/zinc/08/12/11/514081211.db2.gz QKVAINCAYUIHRB-UHFFFAOYSA-N -2 0 372.668 2.975 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccco2)c(OC(F)(F)F)c1 ZINC000437660681 514204784 /nfs/dbraw/zinc/20/47/84/514204784.db2.gz UVCFTEYBLFPGMV-UHFFFAOYSA-N -2 0 351.258 2.677 20 0 FFADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438798765 514444043 /nfs/dbraw/zinc/44/40/43/514444043.db2.gz DUNXTPDWSVYWLD-UHFFFAOYSA-N -2 0 367.354 2.501 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c1 ZINC000438811303 514446711 /nfs/dbraw/zinc/44/67/11/514446711.db2.gz LBQXEGIKUQDZRR-UHFFFAOYSA-N -2 0 373.390 2.590 20 0 FFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N=c2[n-]nc(C(F)F)s2)n1 ZINC000438992131 514480171 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374.777 2.690 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2F)c(F)cc1Cl ZINC001259218756 1039809936 /nfs/dbraw/zinc/80/99/36/1039809936.db2.gz IPQIFHKCOMJWAB-UHFFFAOYSA-N -2 0 363.725 2.823 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnc1OC(C)C ZINC001260184519 1040445055 /nfs/dbraw/zinc/44/50/55/1040445055.db2.gz OXLHJVWFIOSPNQ-UHFFFAOYSA-N -2 0 350.396 2.676 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OCC3CC3)nc2)c1 ZINC001260210268 1040464542 /nfs/dbraw/zinc/46/45/42/1040464542.db2.gz FEWLNHIURUXPIQ-UHFFFAOYSA-N -2 0 366.370 2.509 20 0 FFADRL CC(C)(C)c1cnn2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cnc12 ZINC001260223388 1040473917 /nfs/dbraw/zinc/47/39/17/1040473917.db2.gz PAKXRTBPOFPRHJ-UHFFFAOYSA-N -2 0 374.422 2.526 20 0 FFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)on2)cc1 ZINC001260392741 1040576240 /nfs/dbraw/zinc/57/62/40/1040576240.db2.gz PVJBDKRATUQMTO-UHFFFAOYSA-N -2 0 374.374 2.855 20 0 FFADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)c1 ZINC001241358324 1044505075 /nfs/dbraw/zinc/50/50/75/1044505075.db2.gz OFQUFVQRZCIJPV-UHFFFAOYSA-N -2 0 355.375 2.643 20 0 FFADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 ZINC001602535686 1059943001 /nfs/dbraw/zinc/94/30/01/1059943001.db2.gz HHOFNQNFILAWLH-UHFFFAOYSA-N -2 0 353.208 2.949 20 0 FFADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1C ZINC001589211585 1080422361 /nfs/dbraw/zinc/42/23/61/1080422361.db2.gz IPQCUANRPBYDGX-UHFFFAOYSA-N -2 0 354.409 2.514 20 0 FFADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001589283477 1080463991 /nfs/dbraw/zinc/46/39/91/1080463991.db2.gz AJFBXMIYDGVSFU-UHFFFAOYSA-N -2 0 355.318 2.666 20 0 FFADRL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000288276787 257168478 /nfs/dbraw/zinc/16/84/78/257168478.db2.gz QWNUULURAIMLLR-UHFFFAOYSA-N -2 0 356.425 2.531 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)c(C(=O)[O-])c1 ZINC000034065832 506365296 /nfs/dbraw/zinc/36/52/96/506365296.db2.gz XJKBISIUXTYJIV-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000005134924 506423542 /nfs/dbraw/zinc/42/35/42/506423542.db2.gz UPERAQUJKPSGOG-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000048382971 507513363 /nfs/dbraw/zinc/51/33/63/507513363.db2.gz IQQCZBNTXYXKIQ-UHFFFAOYSA-N -2 0 371.418 2.739 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000060773777 507575750 /nfs/dbraw/zinc/57/57/50/507575750.db2.gz FIEZBBGAQBMHRR-UHFFFAOYSA-N -2 0 350.352 2.711 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C ZINC000152607295 508478009 /nfs/dbraw/zinc/47/80/09/508478009.db2.gz ZRELYJKOHALVOT-UHFFFAOYSA-N -2 0 361.379 2.581 20 0 FFADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2C)o1 ZINC000135402658 508599334 /nfs/dbraw/zinc/59/93/34/508599334.db2.gz MPALCMVZMNOVNO-UHFFFAOYSA-N -2 0 367.408 2.847 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1C(=O)[O-] ZINC000267488907 509513603 /nfs/dbraw/zinc/51/36/03/509513603.db2.gz CIGCQWYRJWXYJJ-UHFFFAOYSA-N -2 0 361.379 2.543 20 0 FFADRL Cc1cc(C(=O)Nc2cc(F)ccc2NC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000173515233 509638983 /nfs/dbraw/zinc/63/89/83/509638983.db2.gz DGEWTONUFRHKAU-UHFFFAOYSA-N -2 0 371.372 2.544 20 0 FFADRL CCn1nc(C)c(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c1C ZINC000267935516 509678526 /nfs/dbraw/zinc/67/85/26/509678526.db2.gz GGAQWWKCJRUXGS-UHFFFAOYSA-N -2 0 371.846 2.981 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])c(C)o1 ZINC000184552264 510383676 /nfs/dbraw/zinc/38/36/76/510383676.db2.gz QDFFEAKOPXHMEU-UHFFFAOYSA-N -2 0 364.423 2.996 20 0 FFADRL Cc1nc(C=Cc2cccc(O[C@H](C)C(=O)[O-])c2)[nH]c(=O)c1CCC(=O)[O-] ZINC000282226394 510893590 /nfs/dbraw/zinc/89/35/90/510893590.db2.gz RRJLRNSIEUJOMP-WAFBPQNNSA-N -2 0 372.377 2.530 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1OC(C)C ZINC000273614474 511551551 /nfs/dbraw/zinc/55/15/51/511551551.db2.gz MXBRUEKKVVSDPN-UHFFFAOYSA-N -2 0 369.395 2.883 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1Cl ZINC000324163155 511834066 /nfs/dbraw/zinc/83/40/66/511834066.db2.gz JAJWGOKQNZXQAN-UHFFFAOYSA-N -2 0 351.771 2.715 20 0 FFADRL Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cccc1C(=O)[O-] ZINC000326950205 511866397 /nfs/dbraw/zinc/86/63/97/511866397.db2.gz FQFONXVJIMQMAX-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(OC)c1C ZINC000326980706 511866918 /nfs/dbraw/zinc/86/69/18/511866918.db2.gz JWJRIQKNVIVCMC-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000284907802 511923960 /nfs/dbraw/zinc/92/39/60/511923960.db2.gz BBBPUUKQYNNFJS-JTQLQIEISA-N -2 0 356.425 2.657 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000391997639 512919765 /nfs/dbraw/zinc/91/97/65/512919765.db2.gz NDYVHELKFATSPH-UHFFFAOYSA-N -2 0 351.771 2.715 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c(Cl)c1 ZINC000392107662 512920922 /nfs/dbraw/zinc/92/09/22/512920922.db2.gz MRBDVSSIBFWZSG-UHFFFAOYSA-N -2 0 351.771 2.715 20 0 FFADRL CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2O1 ZINC000393060938 512930212 /nfs/dbraw/zinc/93/02/12/512930212.db2.gz GVNCGORULFYELC-UHFFFAOYSA-N -2 0 367.354 2.832 20 0 FFADRL CCc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cc1C(=O)[O-] ZINC000441326854 513541986 /nfs/dbraw/zinc/54/19/86/513541986.db2.gz GGADDWJOSUAITH-UHFFFAOYSA-N -2 0 363.391 2.755 20 0 FFADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1C ZINC000448127957 513681037 /nfs/dbraw/zinc/68/10/37/513681037.db2.gz GLPNIHYLRVTYMZ-UHFFFAOYSA-N -2 0 367.427 2.505 20 0 FFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c(C(=O)[O-])c1 ZINC000416408908 513756628 /nfs/dbraw/zinc/75/66/28/513756628.db2.gz SNTAONAUGNMSKR-LBPRGKRZSA-N -2 0 363.439 2.896 20 0 FFADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cc(F)cc(Cl)c1[O-] ZINC000436674135 513939603 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FFADRL Cc1cc(F)c2c(c1)CCCN2S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433527372 514509268 /nfs/dbraw/zinc/50/92/68/514509268.db2.gz DTHVQHJPJQTYTM-UHFFFAOYSA-N -2 0 365.382 2.679 20 0 FFADRL CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1[O-])OC ZINC000421161358 514511578 /nfs/dbraw/zinc/51/15/78/514511578.db2.gz WZGAGHGFSPRLEQ-QMMMGPOBSA-N -2 0 372.668 2.975 20 0 FFADRL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3O)ccc2O1 ZINC000484498460 514667739 /nfs/dbraw/zinc/66/77/39/514667739.db2.gz KUBUEUUGBPTDBX-UHFFFAOYSA-N -2 0 363.391 2.605 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000484532157 514677920 /nfs/dbraw/zinc/67/79/20/514677920.db2.gz HRGBAMQHGQRRBD-SNVBAGLBSA-N -2 0 363.391 2.518 20 0 FFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NCCCc2ccccc2F)c1 ZINC000479884572 514758435 /nfs/dbraw/zinc/75/84/35/514758435.db2.gz DIMVNVXUXFMHEH-UHFFFAOYSA-N -2 0 369.389 2.883 20 0 FFADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471123442 514762937 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ZINC001206768229 1032417065 /nfs/dbraw/zinc/41/70/65/1032417065.db2.gz SLVCWDZUMPXGOX-UHFFFAOYSA-N -2 0 369.374 2.990 20 0 FFADRL Cc1[n-]n(-c2cccc(-c3cccc4c3OCCO4)c2)c(=O)c1CC(=O)[O-] ZINC000864611834 1010526057 /nfs/dbraw/zinc/52/60/57/1010526057.db2.gz MYTXRURYBUWXIK-INIZCTEOSA-N -2 0 366.373 2.938 20 0 FFADRL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000779834618 1025034899 /nfs/dbraw/zinc/03/48/99/1025034899.db2.gz WEUJEMLYVBFDGP-UHFFFAOYSA-N -2 0 371.418 2.872 20 0 FFADRL Cc1cccc(Oc2nc(Cl)ncc2NCCOP(=O)([O-])[O-])c1 ZINC001157795390 1029665727 /nfs/dbraw/zinc/66/57/27/1029665727.db2.gz AVFUCGCGWVRSBS-UHFFFAOYSA-N -2 0 359.706 2.752 20 0 FFADRL COc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c(S(=O)(=O)[O-])c1 ZINC001203329382 1030674123 /nfs/dbraw/zinc/67/41/23/1030674123.db2.gz BKCAMGMOKYGVIX-UHFFFAOYSA-N -2 0 359.306 2.662 20 0 FFADRL Cc1cc(C(=O)NCC2(OC(C)C)CCCCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001149714304 1031575869 /nfs/dbraw/zinc/57/58/69/1031575869.db2.gz VPMDHGCSCLHGEU-UHFFFAOYSA-N -2 0 374.441 2.602 20 0 FFADRL O=S(=O)([N-]c1nccs1)c1ccc(-c2c([O-])cccc2F)nc1 ZINC001245652707 1039081831 /nfs/dbraw/zinc/08/18/31/1039081831.db2.gz HDVZODVOYLPSGX-UHFFFAOYSA-N -2 0 351.384 2.851 20 0 FFADRL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(F)c(F)c1[O-])C(=O)C2 ZINC001258987024 1039642135 /nfs/dbraw/zinc/64/21/35/1039642135.db2.gz PKABFUKDWQWFEV-JDNHERCYSA-N -2 0 359.394 2.808 20 0 FFADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c(F)c1 ZINC001259213627 1039807341 /nfs/dbraw/zinc/80/73/41/1039807341.db2.gz DNSOBOVSXDLWOQ-UHFFFAOYSA-N -2 0 362.741 2.821 20 0 FFADRL O=S(=O)(CCC(F)(F)F)[N-]c1ccc(F)c(Br)c1[O-] ZINC001259872244 1040263965 /nfs/dbraw/zinc/26/39/65/1040263965.db2.gz LBGXSPOEODPMNU-UHFFFAOYSA-N -2 0 366.130 2.988 20 0 FFADRL Cc1cc2nsnc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260216108 1040467162 /nfs/dbraw/zinc/46/71/62/1040467162.db2.gz SBCIXRKOWRBCCL-UHFFFAOYSA-N -2 0 367.383 2.638 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncc(N3CCCCC3)c2)cc1 ZINC001260223456 1040472683 /nfs/dbraw/zinc/47/26/83/1040472683.db2.gz PSJNISZEZQYZMV-UHFFFAOYSA-N -2 0 361.423 2.571 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnnc3ccc(Cl)cc23)cc1 ZINC001260222189 1040473409 /nfs/dbraw/zinc/47/34/09/1040473409.db2.gz PREFVSPWNPDEPJ-UHFFFAOYSA-N -2 0 363.782 2.782 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3O)no2)cc1 ZINC001260222099 1040473471 /nfs/dbraw/zinc/47/34/71/1040473471.db2.gz LFNMIPIQZOOXGS-UHFFFAOYSA-N -2 0 360.347 2.546 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)nc2ccccc12 ZINC001260393284 1040576658 /nfs/dbraw/zinc/57/66/58/1040576658.db2.gz SCZDHNXEDXQBQL-UHFFFAOYSA-N -2 0 358.375 2.748 20 0 FFADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1[O-] ZINC001260834407 1040837659 /nfs/dbraw/zinc/83/76/59/1040837659.db2.gz QOZJSYLCMJUWBP-UHFFFAOYSA-N -2 0 368.842 2.689 20 0 FFADRL COc1ccc(F)cc1-c1noc(-c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001215453995 1041789425 /nfs/dbraw/zinc/78/94/25/1041789425.db2.gz CNQISQPAPFPPPB-UHFFFAOYSA-N -2 0 366.326 2.504 20 0 FFADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)cc1 ZINC001216311739 1041998423 /nfs/dbraw/zinc/99/84/23/1041998423.db2.gz RXBRZJQEGTVUKW-UHFFFAOYSA-N -2 0 362.407 2.570 20 0 FFADRL CCOC(=O)c1ccc2c(c1)ncnc2-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160577 1044691181 /nfs/dbraw/zinc/69/11/81/1044691181.db2.gz LRLFMMJXDRTLFS-UHFFFAOYSA-N -2 0 366.329 2.870 20 0 FFADRL COC(=O)c1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C(F)(F)F ZINC001242161673 1044693051 /nfs/dbraw/zinc/69/30/51/1044693051.db2.gz HHQGAPKNLYEFIT-UHFFFAOYSA-N -2 0 369.251 2.950 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(C(=O)OC)c1 ZINC001328418746 1048293721 /nfs/dbraw/zinc/29/37/21/1048293721.db2.gz CHMYRYUXYMMILZ-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)s1 ZINC001608913510 1071233871 /nfs/dbraw/zinc/23/38/71/1071233871.db2.gz WFKXTQKPOHDNMA-UHFFFAOYSA-N -2 0 353.208 2.949 20 0 FFADRL CC[C@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC001573803549 1077801806 /nfs/dbraw/zinc/80/18/06/1077801806.db2.gz BZESGXWHEMMEFG-ZCFIWIBFSA-N -2 0 350.596 2.649 20 0 FFADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001589451835 1080540947 /nfs/dbraw/zinc/54/09/47/1080540947.db2.gz JLQQFRCTHLFQEJ-KBHBFKLGSA-N -2 0 361.504 2.784 20 0 FFADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1sccc1-c1ccccc1 ZINC001589453741 1080542565 /nfs/dbraw/zinc/54/25/65/1080542565.db2.gz IQLZYAOJMFCKKS-GHMZBOCLSA-N -2 0 367.448 2.584 20 0 FFADRL CC(C)(C(=O)[N-]OCCCC(=O)[O-])[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001589574940 1080613000 /nfs/dbraw/zinc/61/30/00/1080613000.db2.gz OSAJQRZBOIZGNA-ZDUSSCGKSA-N -2 0 364.225 2.966 20 0 FFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cn(C)nc1C1CC1 ZINC000291275027 257395323 /nfs/dbraw/zinc/39/53/23/257395323.db2.gz ZQJJLWZHZPNTEU-UHFFFAOYSA-N -2 0 369.830 2.758 20 0 FFADRL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000037055155 506421400 /nfs/dbraw/zinc/42/14/00/506421400.db2.gz ASTQARDBAOPNLP-UHFFFAOYSA-N -2 0 373.228 2.595 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(O)c1C ZINC000042794613 506668129 /nfs/dbraw/zinc/66/81/29/506668129.db2.gz UCBKQDUFOILWRB-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000042792646 506669533 /nfs/dbraw/zinc/66/95/33/506669533.db2.gz GDALTBUUWVARRI-UHFFFAOYSA-N -2 0 363.391 2.589 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)sc1C(=O)[O-] ZINC000371277552 512302738 /nfs/dbraw/zinc/30/27/38/512302738.db2.gz MQJGJMVLNGRNLV-UHFFFAOYSA-N -2 0 363.420 2.946 20 0 FFADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000047312904 507305248 /nfs/dbraw/zinc/30/52/48/507305248.db2.gz HDCAHHBGSFGMSA-UHFFFAOYSA-N -2 0 354.315 2.541 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000026547654 507598077 /nfs/dbraw/zinc/59/80/77/507598077.db2.gz KSCKKYBZWUGUHU-UHFFFAOYSA-N -2 0 374.418 2.995 20 0 FFADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C(=O)[O-])c1 ZINC000109283229 507952262 /nfs/dbraw/zinc/95/22/62/507952262.db2.gz HLNFRFDAWXGARU-UHFFFAOYSA-N -2 0 363.391 2.809 20 0 FFADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C ZINC000266034067 510371601 /nfs/dbraw/zinc/37/16/01/510371601.db2.gz MZZYOXYKDKBPER-UHFFFAOYSA-N -2 0 351.428 2.636 20 0 FFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000181767967 510580881 /nfs/dbraw/zinc/58/08/81/510580881.db2.gz STLBQDJMLWSGAB-ZDUSSCGKSA-N -2 0 365.455 2.918 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)cc(C(=O)[O-])c1C ZINC000281262724 511779685 /nfs/dbraw/zinc/77/96/85/511779685.db2.gz WOTNWYQNQDLHFZ-UHFFFAOYSA-N -2 0 351.428 2.659 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000320549997 511815751 /nfs/dbraw/zinc/81/57/51/511815751.db2.gz LYKXOMFBGAGREG-UHFFFAOYSA-N -2 0 356.425 2.738 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1C(=O)[O-] ZINC000326948474 511866013 /nfs/dbraw/zinc/86/60/13/511866013.db2.gz JAVBMUAIOQSDRV-UHFFFAOYSA-N -2 0 365.407 2.765 20 0 FFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1 ZINC000282046154 512057369 /nfs/dbraw/zinc/05/73/69/512057369.db2.gz ZDCKFXVLSDYVRP-UHFFFAOYSA-N -2 0 365.455 2.747 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cn[nH]c2)c1 ZINC000372343887 512826115 /nfs/dbraw/zinc/82/61/15/512826115.db2.gz FEYFAOHPYNLBGR-UHFFFAOYSA-N -2 0 373.390 2.584 20 0 FFADRL Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)o1 ZINC000376648269 512918515 /nfs/dbraw/zinc/91/85/15/512918515.db2.gz GNJRVAJCVWLWKB-UHFFFAOYSA-N -2 0 373.390 2.852 20 0 FFADRL CC(C)C[C@@H](CNC(=O)N=c1[n-]nc(-c2ccsc2)s1)C(=O)[O-] ZINC000424468144 513159409 /nfs/dbraw/zinc/15/94/09/513159409.db2.gz IWAWEXRSEJJPBH-JTQLQIEISA-N -2 0 354.457 3.135 20 0 FFADRL CCOc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000451068397 513495646 /nfs/dbraw/zinc/49/56/46/513495646.db2.gz BTKAHRNWYDVQHA-UHFFFAOYSA-N -2 0 356.425 2.658 20 0 FFADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cccc21 ZINC000447787718 513569123 /nfs/dbraw/zinc/56/91/23/513569123.db2.gz OEWIXZILLDBYQH-GFCCVEGCSA-N -2 0 369.420 2.717 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)s1 ZINC000430992110 513800701 /nfs/dbraw/zinc/80/07/01/513800701.db2.gz XOMVWKQQGWOXAV-UHFFFAOYSA-N -2 0 369.420 2.635 20 0 FFADRL CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000425968811 513809726 /nfs/dbraw/zinc/80/97/26/513809726.db2.gz UKCAUFVAMBXURK-UHFFFAOYSA-N -2 0 350.396 2.743 20 0 FFADRL COc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc(OC)c1C ZINC000431165391 513842288 /nfs/dbraw/zinc/84/22/88/513842288.db2.gz DRGXCBNRSACZNJ-UHFFFAOYSA-N -2 0 371.436 2.881 20 0 FFADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000436608140 513916302 /nfs/dbraw/zinc/91/63/02/513916302.db2.gz PGAKKWSSNKHZOI-UHFFFAOYSA-N -2 0 367.354 2.623 20 0 FFADRL CCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cc1F ZINC000443468514 513976360 /nfs/dbraw/zinc/97/63/60/513976360.db2.gz UKUABHVOVWQBIE-UHFFFAOYSA-N -2 0 371.361 2.791 20 0 FFADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436791015 513981593 /nfs/dbraw/zinc/98/15/93/513981593.db2.gz IVYZTXOTLXFGPA-NSHDSACASA-N -2 0 365.407 2.907 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000437000701 514071765 /nfs/dbraw/zinc/07/17/65/514071765.db2.gz NTYSQEYNDXPTSU-UHFFFAOYSA-N -2 0 361.297 2.617 20 0 FFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)n[nH]2)s1 ZINC000444417233 514223040 /nfs/dbraw/zinc/22/30/40/514223040.db2.gz DQWJMYXYKNTHRT-UHFFFAOYSA-N -2 0 367.408 2.847 20 0 FFADRL Cc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Cl ZINC000433530045 514508946 /nfs/dbraw/zinc/50/89/46/514508946.db2.gz LYELKKDVYFUUIJ-UHFFFAOYSA-N -2 0 355.799 2.877 20 0 FFADRL COc1cc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000507932477 514615360 /nfs/dbraw/zinc/61/53/60/514615360.db2.gz DKAJODBGKGWPPD-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1C ZINC000507972161 514628345 /nfs/dbraw/zinc/62/83/45/514628345.db2.gz VPOYOIIFSUUFFC-LLVKDONJSA-N -2 0 351.428 2.970 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000484569443 514695492 /nfs/dbraw/zinc/69/54/92/514695492.db2.gz BPTHLOLPKJZYGS-UHFFFAOYSA-N -2 0 369.468 2.760 20 0 FFADRL COc1ccsc1S(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1 ZINC000471110076 514755194 /nfs/dbraw/zinc/75/51/94/514755194.db2.gz LFBQJXBJWPYFMB-UHFFFAOYSA-N -2 0 369.420 2.605 20 0 FFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000471120510 514761091 /nfs/dbraw/zinc/76/10/91/514761091.db2.gz AWOWVQODQOHWNV-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL CCc1cccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)c1 ZINC000484785968 514795648 /nfs/dbraw/zinc/79/56/48/514795648.db2.gz OJBNKLJXHKMCTJ-UHFFFAOYSA-N -2 0 371.418 2.934 20 0 FFADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000462065598 514858008 /nfs/dbraw/zinc/85/80/08/514858008.db2.gz DCNHULUENFMWNO-UHFFFAOYSA-N -2 0 355.755 2.537 20 0 FFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccccc2C)c1OC ZINC000484982200 514862394 /nfs/dbraw/zinc/86/23/94/514862394.db2.gz YKZONOVXKGLSQX-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL COc1cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c(Cl)cc1C(=O)[O-] ZINC000485262150 514978234 /nfs/dbraw/zinc/97/82/34/514978234.db2.gz PRUBCEFMNMWOGH-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476414365 515040021 /nfs/dbraw/zinc/04/00/21/515040021.db2.gz LKYVFDNQCFLJSL-UHFFFAOYSA-N -2 0 356.787 2.551 20 0 FFADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000509373083 515146494 /nfs/dbraw/zinc/14/64/94/515146494.db2.gz CFWMCJDSRYYNRX-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000499327681 515285774 /nfs/dbraw/zinc/28/57/74/515285774.db2.gz JMJCOIULBWHZPW-UHFFFAOYSA-N -2 0 362.338 2.980 20 0 FFADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000499330643 515287652 /nfs/dbraw/zinc/28/76/52/515287652.db2.gz RMWKACBEOUCRMF-UHFFFAOYSA-N -2 0 365.745 2.808 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000477424898 515452687 /nfs/dbraw/zinc/45/26/87/515452687.db2.gz SODHVLMBBWSIRC-UHFFFAOYSA-N -2 0 357.391 2.884 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)c[nH]1 ZINC000481983843 515537659 /nfs/dbraw/zinc/53/76/59/515537659.db2.gz UDSKNEHZXYJKSZ-UHFFFAOYSA-N -2 0 372.402 2.810 20 0 FFADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1)C(=O)[O-] ZINC000463775108 515610496 /nfs/dbraw/zinc/61/04/96/515610496.db2.gz ARPSUDKIMDPKGO-GFCCVEGCSA-N -2 0 352.387 2.675 20 0 FFADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000468984632 515615001 /nfs/dbraw/zinc/61/50/01/515615001.db2.gz PDTVCFRPSUODMW-UHFFFAOYSA-N -2 0 371.798 2.943 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cccc3c2OCCO3)c(C(=O)[O-])cc1C ZINC000478696540 515929938 /nfs/dbraw/zinc/92/99/38/515929938.db2.gz LOLCYCCVMIEWBH-UHFFFAOYSA-N -2 0 363.391 2.574 20 0 FFADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000506688934 515956048 /nfs/dbraw/zinc/95/60/48/515956048.db2.gz KWRWEJPUCQLNOP-UHFFFAOYSA-N -2 0 365.407 2.649 20 0 FFADRL CSc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCO2 ZINC000479188808 516096716 /nfs/dbraw/zinc/09/67/16/516096716.db2.gz VMWAIRWDOYNYFG-UHFFFAOYSA-N -2 0 367.404 2.636 20 0 FFADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1 ZINC000479231562 516119080 /nfs/dbraw/zinc/11/90/80/516119080.db2.gz IULMCAUZINSUNK-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000488392163 516213367 /nfs/dbraw/zinc/21/33/67/516213367.db2.gz QFUNQDGXFJKNRT-GFCCVEGCSA-N -2 0 363.439 2.672 20 0 FFADRL CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507583557 516252356 /nfs/dbraw/zinc/25/23/56/516252356.db2.gz PWJGDDOQQOGQEU-UHFFFAOYSA-N -2 0 363.391 2.671 20 0 FFADRL Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c(C)c1C(=O)[O-] ZINC000512751631 516346512 /nfs/dbraw/zinc/34/65/12/516346512.db2.gz BTORUGUNDWUFFC-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])c(F)c1 ZINC000547567264 516411380 /nfs/dbraw/zinc/41/13/80/516411380.db2.gz AXNABCLKJXWIHJ-UHFFFAOYSA-N -2 0 354.315 2.541 20 0 FFADRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CC2CCCC2)C(=O)[O-])cc1C ZINC000547573057 516414065 /nfs/dbraw/zinc/41/40/65/516414065.db2.gz JGKVYZYQJFZLFO-CYBMUJFWSA-N -2 0 370.427 2.523 20 0 FFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000547611072 516433651 /nfs/dbraw/zinc/43/36/51/516433651.db2.gz CIMDNEOHFNBESS-UHFFFAOYSA-N -2 0 367.398 2.961 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)ccc1OCC(=O)[O-] ZINC000513819380 516769110 /nfs/dbraw/zinc/76/91/10/516769110.db2.gz VUNBFOSMIMGFMK-UHFFFAOYSA-N -2 0 371.798 2.618 20 0 FFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1c(F)ccc(C)c1C(=O)[O-] ZINC000551592855 516779814 /nfs/dbraw/zinc/77/98/14/516779814.db2.gz PVRPPJZRMPSTOG-UHFFFAOYSA-N -2 0 373.383 2.701 20 0 FFADRL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(F)c(F)c([O-])c1F ZINC000544488093 516780037 /nfs/dbraw/zinc/78/00/37/516780037.db2.gz SHRSKBQSFCVLKK-UHFFFAOYSA-N -2 0 365.336 2.926 20 0 FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C)c2F)c(C(=O)[O-])c1 ZINC000540982174 516813761 /nfs/dbraw/zinc/81/37/61/516813761.db2.gz OUIBZQBPNRVGDN-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000548208466 516826547 /nfs/dbraw/zinc/82/65/47/516826547.db2.gz VGPPRQHDCQISQB-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000524853775 516847749 /nfs/dbraw/zinc/84/77/49/516847749.db2.gz IPZNNIOGMKMESB-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000548541096 517043380 /nfs/dbraw/zinc/04/33/80/517043380.db2.gz WHZFOFACBWVGGM-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL Cc1ccsc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000525529536 517068669 /nfs/dbraw/zinc/06/86/69/517068669.db2.gz FYHMTLTYBZWPLJ-UHFFFAOYSA-N -2 0 369.420 2.717 20 0 FFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)n[nH]2)o1 ZINC000562486825 517136995 /nfs/dbraw/zinc/13/69/95/517136995.db2.gz KBFSSVDOZGWNCV-UHFFFAOYSA-N -2 0 367.408 2.847 20 0 FFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000532851001 517165629 /nfs/dbraw/zinc/16/56/29/517165629.db2.gz MYRIKFXFOHYQCV-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL CSCc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000545407162 517223471 /nfs/dbraw/zinc/22/34/71/517223471.db2.gz VTLTYMHIJUIBRJ-UHFFFAOYSA-N -2 0 356.407 2.860 20 0 FFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000515183484 517243135 /nfs/dbraw/zinc/24/31/35/517243135.db2.gz FAWQGPKUZSLDAZ-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1-c1ccccc1 ZINC000537837408 517369169 /nfs/dbraw/zinc/36/91/69/517369169.db2.gz NXJHEYHVOVKCBY-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000556347751 517381621 /nfs/dbraw/zinc/38/16/21/517381621.db2.gz PKRJYGTXZMPIQV-UHFFFAOYSA-N -2 0 374.418 2.994 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nn1[C@@H](C)C1CC1 ZINC000542233945 517452964 /nfs/dbraw/zinc/45/29/64/517452964.db2.gz XRYZPMIEIWFTGD-VIFPVBQESA-N -2 0 353.400 2.563 20 0 FFADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1C ZINC000538298578 517549718 /nfs/dbraw/zinc/54/97/18/517549718.db2.gz NWJFJBUPDPEXFS-JTQLQIEISA-N -2 0 351.428 2.970 20 0 FFADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000538497088 517643554 /nfs/dbraw/zinc/64/35/54/517643554.db2.gz YUMGHNDVYOYKCT-UHFFFAOYSA-N -2 0 362.338 2.980 20 0 FFADRL C[C@@H](Sc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1)C(=O)[O-] ZINC000560416800 517783446 /nfs/dbraw/zinc/78/34/46/517783446.db2.gz MLVUSLCGZDXFRD-SNVBAGLBSA-N -2 0 352.437 2.635 20 0 FFADRL O=C([O-])C[C@@H](CCNS(=O)(=O)c1cccc2ccoc21)C(F)(F)F ZINC000560480767 517834013 /nfs/dbraw/zinc/83/40/13/517834013.db2.gz LSLZYHWIQZWZCW-SNVBAGLBSA-N -2 0 365.329 2.754 20 0 FFADRL COc1ccnc2c([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cccc12 ZINC000534318091 517849060 /nfs/dbraw/zinc/84/90/60/517849060.db2.gz VYGFVENZFSZFCY-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000516960955 517944220 /nfs/dbraw/zinc/94/42/20/517944220.db2.gz IBSDOKRKVLHOPI-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C1CC1 ZINC000534972489 518101067 /nfs/dbraw/zinc/10/10/67/518101067.db2.gz BZWDABYCVSBHFF-SNVBAGLBSA-N -2 0 366.443 2.569 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)c(C)c1 ZINC000535136474 518156417 /nfs/dbraw/zinc/15/64/17/518156417.db2.gz BZWOHMVUMJEFCY-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)cc1C(=O)[O-] ZINC000572693988 518313317 /nfs/dbraw/zinc/31/33/17/518313317.db2.gz YDBQLQYLWOHESQ-UHFFFAOYSA-N -2 0 357.819 2.925 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2-c2ccccc2)ccc1C(=O)[O-] ZINC000573639396 518761791 /nfs/dbraw/zinc/76/17/91/518761791.db2.gz ZQUIFABCSAPQBV-UHFFFAOYSA-N -2 0 371.418 2.895 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c1C ZINC000577130873 518928563 /nfs/dbraw/zinc/92/85/63/518928563.db2.gz NPXYFWZGFUMXRW-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000589435895 519003274 /nfs/dbraw/zinc/00/32/74/519003274.db2.gz MKYICJCINZIAIE-UHFFFAOYSA-N -2 0 373.390 2.711 20 0 FFADRL Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC[C@H](C)[C@@H](C(=O)[O-])C3)s2)c1 ZINC000565950493 519214367 /nfs/dbraw/zinc/21/43/67/519214367.db2.gz GAFCXWRIJBTGBS-JSGCOSHPSA-N -2 0 374.466 2.818 20 0 FFADRL O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1ccco1 ZINC000580812675 519370597 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FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)o1 ZINC000740187110 599738992 /nfs/dbraw/zinc/73/89/92/599738992.db2.gz GMFGLGPEKHYDBX-UHFFFAOYSA-N -2 0 364.301 2.753 20 0 FFADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])c1 ZINC000738358324 599768829 /nfs/dbraw/zinc/76/88/29/599768829.db2.gz LTVGKMWFLAJDDU-UHFFFAOYSA-N -3 0 367.354 2.640 20 0 FFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000737204273 599852214 /nfs/dbraw/zinc/85/22/14/599852214.db2.gz XGHXZRKWRJHKIQ-UHFFFAOYSA-N -2 0 365.407 2.901 20 0 FFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000739765420 599885988 /nfs/dbraw/zinc/88/59/88/599885988.db2.gz DRIBIQZLNGUYOK-UHFFFAOYSA-N -2 0 359.325 2.922 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C(=O)[O-] ZINC000728266140 599925199 /nfs/dbraw/zinc/92/51/99/599925199.db2.gz PIGFMQZPMOEYSA-UHFFFAOYSA-N -3 0 369.782 2.846 20 0 FFADRL CC1=C(C(=O)[O-])[C@@H](c2cccs2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736749475 599987848 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FFADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(F)c(NC(=O)[O-])c3)cc12 ZINC000738954977 600100852 /nfs/dbraw/zinc/10/08/52/600100852.db2.gz CTWRCXGKJBCXDP-UHFFFAOYSA-N -2 0 366.330 2.561 20 0 FFADRL Cc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1C(=O)[O-] ZINC000738655457 600101102 /nfs/dbraw/zinc/10/11/02/600101102.db2.gz XGCRJMFYTHUUJL-UHFFFAOYSA-N -2 0 368.342 2.723 20 0 FFADRL CCN(CC(=O)[O-])Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000737074187 600101942 /nfs/dbraw/zinc/10/19/42/600101942.db2.gz CGONSEGFGNPXEA-UHFFFAOYSA-N -2 0 373.434 2.567 20 0 FFADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c1C(=O)[O-] ZINC000738743438 600179281 /nfs/dbraw/zinc/17/92/81/600179281.db2.gz FDOKKZOCJIBKKZ-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)c1C(=O)[O-] ZINC000738827050 600231140 /nfs/dbraw/zinc/23/11/40/600231140.db2.gz GOJATVZHYALQFR-UHFFFAOYSA-N -2 0 369.402 2.788 20 0 FFADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000738755466 600244288 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COc1ccc(S(=O)(=O)[N-]c2cncc(C3CCC3)c2)cc1C(=O)[O-] ZINC001185276030 1002897045 /nfs/dbraw/zinc/89/70/45/1002897045.db2.gz UMUJQKCSDFORIJ-UHFFFAOYSA-N -2 0 362.407 2.857 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2cc(C(C)C)nn2c1 ZINC001185879319 1003114749 /nfs/dbraw/zinc/11/47/49/1003114749.db2.gz MRQMMLVMBZXYQN-UHFFFAOYSA-N -2 0 374.422 2.660 20 0 FFADRL COc1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1[S-] ZINC001186191317 1003213455 /nfs/dbraw/zinc/21/34/55/1003213455.db2.gz RPSCONXEBTVZQB-UHFFFAOYSA-N -2 0 357.384 2.622 20 0 FFADRL CCOc1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186193848 1003215925 /nfs/dbraw/zinc/21/59/25/1003215925.db2.gz YWAFJYMKHSWTEE-UHFFFAOYSA-N -2 0 357.334 2.863 20 0 FFADRL Cc1ncncc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196068266 1003648583 /nfs/dbraw/zinc/64/85/83/1003648583.db2.gz MWISCVMKDHTWPK-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3nsnc32)cc1 ZINC001192100124 1004053253 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O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)cn1 ZINC001198739968 1004718628 /nfs/dbraw/zinc/71/86/28/1004718628.db2.gz UTOPBWCINNHOAA-UHFFFAOYSA-N -2 0 355.375 2.643 20 0 FFADRL COc1c(Cl)cc(Cl)cc1C(=O)NCCCC[P@@](=O)([O-])O ZINC001188153744 1006431957 /nfs/dbraw/zinc/43/19/57/1006431957.db2.gz QJZWZXSQJKRPKP-UHFFFAOYSA-N -2 0 356.142 2.690 20 0 FFADRL O=C(Nc1nc2ccc(F)cc2o1)c1ccccc1OP(=O)([O-])[O-] ZINC001189860594 1007309151 /nfs/dbraw/zinc/30/91/51/1007309151.db2.gz JVTDRTVFQDUCTB-UHFFFAOYSA-N -2 0 352.214 2.691 20 0 FFADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCCC2(CC(F)C2)CC1 ZINC001189887348 1007355953 /nfs/dbraw/zinc/35/59/53/1007355953.db2.gz NOYCIHMRUQSLJS-UHFFFAOYSA-N -2 0 357.318 2.903 20 0 FFADRL O=C(Nc1cccc(Cl)c1CO)c1ccccc1OP(=O)([O-])[O-] ZINC001189888684 1007358286 /nfs/dbraw/zinc/35/82/86/1007358286.db2.gz JQQCPOFSFDVUBG-UHFFFAOYSA-N -2 0 357.686 2.556 20 0 FFADRL Cc1ccc2c(CCNC(=O)c3ccccc3OP(=O)([O-])[O-])c[nH]c2c1 ZINC001189900283 1007366040 /nfs/dbraw/zinc/36/60/40/1007366040.db2.gz YDXKKEIWFNUUBO-UHFFFAOYSA-N -2 0 374.333 2.920 20 0 FFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc3cccnc32)c1 ZINC000821107016 1008421461 /nfs/dbraw/zinc/42/14/61/1008421461.db2.gz QQSPMKKKWANLGZ-UHFFFAOYSA-N -2 0 374.422 2.586 20 0 FFADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000680489863 1018011849 /nfs/dbraw/zinc/01/18/49/1018011849.db2.gz KNPAKIYBRWUIAB-UHFFFAOYSA-N -2 0 371.846 2.697 20 0 FFADRL C[C@@H](Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1S(=O)(=O)[O-])C1CC1 ZINC001234184626 1036958059 /nfs/dbraw/zinc/95/80/59/1036958059.db2.gz PIGPXCQMGMBDQO-SECBINFHSA-N -2 0 372.420 2.511 20 0 FFADRL CCCC(CCC)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001234699821 1037146751 /nfs/dbraw/zinc/14/67/51/1037146751.db2.gz KFWHNNMZRKHGTQ-RDJZCZTQSA-N -2 0 366.410 2.812 20 0 FFADRL O=c1cc(-c2cc(F)cc(F)c2)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245921893 1039148441 /nfs/dbraw/zinc/14/84/41/1039148441.db2.gz WCVSNYCYZXEHFN-UHFFFAOYSA-N -2 0 352.318 2.770 20 0 FFADRL O=c1cc(-c2c(F)cccc2F)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245932781 1039150616 /nfs/dbraw/zinc/15/06/16/1039150616.db2.gz QLUSHTLVGVXMQW-UHFFFAOYSA-N -2 0 352.318 2.770 20 0 FFADRL CN(C)c1ccc(-c2cc(=O)n(-c3cccc(S(=O)(=O)[O-])c3)[n-]2)cc1 ZINC001245942901 1039154484 /nfs/dbraw/zinc/15/44/84/1039154484.db2.gz FQWSEUKMOMJXBG-UHFFFAOYSA-N -2 0 359.407 2.558 20 0 FFADRL CCc1ccc(-c2nnc(-c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)o2)cc1 ZINC001253027144 1039929150 /nfs/dbraw/zinc/92/91/50/1039929150.db2.gz RTXYHVQVWHQZAE-UHFFFAOYSA-N -2 0 374.374 2.911 20 0 FFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CCc2ccccc2)c1O ZINC001259737776 1040153756 /nfs/dbraw/zinc/15/37/56/1040153756.db2.gz FFDMKZHKDMAAFZ-UHFFFAOYSA-N -2 0 369.826 2.817 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnn2)c1 ZINC001260184880 1040445355 /nfs/dbraw/zinc/44/53/55/1040445355.db2.gz HORXVOBGJQHOTF-UHFFFAOYSA-N -2 0 355.375 2.643 20 0 FFADRL COc1cc(F)c(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190992 1040446349 /nfs/dbraw/zinc/44/63/49/1040446349.db2.gz QLGASDQBFFLEPN-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c1 ZINC001260209709 1040465092 /nfs/dbraw/zinc/46/50/92/1040465092.db2.gz DGEIIMDIVFZDJL-UHFFFAOYSA-N -2 0 350.371 2.599 20 0 FFADRL CCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260215343 1040467181 /nfs/dbraw/zinc/46/71/81/1040467181.db2.gz XEELGIKSQXRKIY-UHFFFAOYSA-N -2 0 366.370 2.673 20 0 FFADRL CCOc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260216609 1040469161 /nfs/dbraw/zinc/46/91/61/1040469161.db2.gz QMKXNEYPMVCIKL-UHFFFAOYSA-N -2 0 357.334 2.863 20 0 FFADRL CCC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260216710 1040469374 /nfs/dbraw/zinc/46/93/74/1040469374.db2.gz XKWBCQWFKZOICX-UHFFFAOYSA-N -2 0 351.355 2.917 20 0 FFADRL CCc1cc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC001260221189 1040471337 /nfs/dbraw/zinc/47/13/37/1040471337.db2.gz MKXVXJGKGWSPPF-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001254602036 1040833227 /nfs/dbraw/zinc/83/32/27/1040833227.db2.gz PCPWVDDBUHIHBD-UHFFFAOYSA-N -2 0 361.828 2.696 20 0 FFADRL Cc1ccc(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3[O-])n2)c(F)c1 ZINC001215452092 1041788308 /nfs/dbraw/zinc/78/83/08/1041788308.db2.gz DYYRYLPFNVMNHO-UHFFFAOYSA-N -2 0 350.327 2.803 20 0 FFADRL Cc1c(F)cc(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3[O-])n2)cc1F ZINC001215454325 1041789174 /nfs/dbraw/zinc/78/91/74/1041789174.db2.gz UQEKOSUHJJMYKB-UHFFFAOYSA-N -2 0 368.317 2.943 20 0 FFADRL CCOC(=O)c1cc2c(ncnc2-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)s1 ZINC001242159124 1044691724 /nfs/dbraw/zinc/69/17/24/1044691724.db2.gz HRVWVBCEMNKVAL-UHFFFAOYSA-N -2 0 372.358 2.931 20 0 FFADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC001318609552 1044771609 /nfs/dbraw/zinc/77/16/09/1044771609.db2.gz TXMXVMVEKHQTOY-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL O=C([O-])c1cc(Cl)cc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)c1 ZINC001243326700 1044916147 /nfs/dbraw/zinc/91/61/47/1044916147.db2.gz WDRRKLYJSFREFZ-UHFFFAOYSA-N -2 0 352.755 2.529 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2nc(C)oc2c1 ZINC001320973343 1045504913 /nfs/dbraw/zinc/50/49/13/1045504913.db2.gz HDPKWSGIZWJJGA-UHFFFAOYSA-N -2 0 362.363 2.644 20 0 FFADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)cc1 ZINC001343770608 1052410598 /nfs/dbraw/zinc/41/05/98/1052410598.db2.gz DKGYRYGIJKMAIZ-UHFFFAOYSA-N -2 0 363.439 2.816 20 0 FFADRL COC(=O)C(C)=C([O-])c1cccc(-c2ccccc2[C@H](O)CC(=O)[O-])c1 ZINC000849476821 1056866986 /nfs/dbraw/zinc/86/69/86/1056866986.db2.gz WTIKYUCUXSZDJU-SJKOYZFVSA-N -2 0 356.374 2.854 20 0 FFADRL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccc(Cl)c1[O-] ZINC001469559119 1064167728 /nfs/dbraw/zinc/16/77/28/1064167728.db2.gz KMCGRXXOEHXYSW-KWQFWETISA-N -2 0 364.751 2.717 20 0 FFADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573856854 1077822064 /nfs/dbraw/zinc/82/20/64/1077822064.db2.gz DZHLSUPCOKSDCX-WDEREUQCSA-N -2 0 363.439 2.636 20 0 FFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NC3(C(=O)[O-])CCCC3)n2)c1 ZINC001588969634 1080288419 /nfs/dbraw/zinc/28/84/19/1080288419.db2.gz OVGJQJLEWQJIFR-UHFFFAOYSA-N -2 0 357.410 2.829 20 0 FFADRL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n[nH]1 ZINC001589789184 1080744098 /nfs/dbraw/zinc/74/40/98/1080744098.db2.gz SJVUIUSDOXCUEN-UHFFFAOYSA-N -2 0 369.418 2.565 20 0 FFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)ccc1Cl ZINC000072008177 210214108 /nfs/dbraw/zinc/21/41/08/210214108.db2.gz UFANSGWBFBPGDE-UHFFFAOYSA-N -2 0 351.771 2.715 20 0 FFADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000042793490 506669336 /nfs/dbraw/zinc/66/93/36/506669336.db2.gz UNTYIKHCRRABJY-UHFFFAOYSA-N -2 0 373.333 2.796 20 0 FFADRL Cc1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2[nH]1 ZINC000046071550 507072882 /nfs/dbraw/zinc/07/28/82/507072882.db2.gz RUIKMVXJBKAIRL-UHFFFAOYSA-N -2 0 374.374 2.674 20 0 FFADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000057117523 507174888 /nfs/dbraw/zinc/17/48/88/507174888.db2.gz AMKNOSOOINYLOL-UHFFFAOYSA-N -2 0 374.418 2.913 20 0 FFADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000031666072 507821030 /nfs/dbraw/zinc/82/10/30/507821030.db2.gz HTYPTTIKQLWJGI-UHFFFAOYSA-N -2 0 351.380 2.598 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)ccc1OC(C)C ZINC000103059408 508294381 /nfs/dbraw/zinc/29/43/81/508294381.db2.gz BOGXMEAMNOCRTD-UHFFFAOYSA-N -2 0 373.438 2.763 20 0 FFADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2C)o1 ZINC000135409666 508600346 /nfs/dbraw/zinc/60/03/46/508600346.db2.gz CBAUQNFLINBKGX-UHFFFAOYSA-N -2 0 367.408 2.847 20 0 FFADRL Cc1cccc2sc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)nc21 ZINC000151505866 509032367 /nfs/dbraw/zinc/03/23/67/509032367.db2.gz WJTCDKNOKQQBGO-UHFFFAOYSA-N -2 0 367.390 2.503 20 0 FFADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1C ZINC000267004903 509303840 /nfs/dbraw/zinc/30/38/40/509303840.db2.gz DYCMYXFGJXHETP-UHFFFAOYSA-N -2 0 371.846 2.981 20 0 FFADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000184655687 510444479 /nfs/dbraw/zinc/44/44/79/510444479.db2.gz JPJVXLYOJPTWJO-ZDUSSCGKSA-N -2 0 365.455 2.603 20 0 FFADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)no1 ZINC000363374486 511510282 /nfs/dbraw/zinc/51/02/82/511510282.db2.gz YALCZRFQUKCDBH-UHFFFAOYSA-N -2 0 365.392 2.606 20 0 FFADRL CC(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000324433188 511836804 /nfs/dbraw/zinc/83/68/04/511836804.db2.gz CPTWJXLMPSXWFR-UHFFFAOYSA-N -2 0 352.412 2.559 20 0 FFADRL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C ZINC000325815447 511851303 /nfs/dbraw/zinc/85/13/03/511851303.db2.gz LBFSMWOAPHBYIH-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000326229933 511856404 /nfs/dbraw/zinc/85/64/04/511856404.db2.gz UHNWEJDGSZYPQA-UHFFFAOYSA-N -2 0 353.371 2.514 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000383785314 512881464 /nfs/dbraw/zinc/88/14/64/512881464.db2.gz YGUSEVAFKNWZAX-UHFFFAOYSA-N -2 0 363.391 2.519 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2OC)c(C(=O)[O-])c1 ZINC000392990212 512929933 /nfs/dbraw/zinc/92/99/33/512929933.db2.gz XBGJWNORWVDMOP-UHFFFAOYSA-N -2 0 365.407 2.765 20 0 FFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)n[nH]2)o1 ZINC000446637319 513302153 /nfs/dbraw/zinc/30/21/53/513302153.db2.gz JQMOUSLNBSPNEM-UHFFFAOYSA-N -2 0 361.379 2.786 20 0 FFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000436015274 513737103 /nfs/dbraw/zinc/73/71/03/513737103.db2.gz MZPOJKNPLHZLGA-UHFFFAOYSA-N -2 0 355.375 2.643 20 0 FFADRL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cccc(Cl)c3C(=O)[O-])cn21 ZINC000416407805 513756617 /nfs/dbraw/zinc/75/66/17/513756617.db2.gz MGPTVMJKWPKIGD-SECBINFHSA-N -2 0 369.830 2.933 20 0 FFADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000436610290 513916876 /nfs/dbraw/zinc/91/68/76/513916876.db2.gz UGTGNCRNFZTENG-UHFFFAOYSA-N -2 0 355.393 2.545 20 0 FFADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436727210 513959626 /nfs/dbraw/zinc/95/96/26/513959626.db2.gz YHMIQXKMKQDFFH-UHFFFAOYSA-N -2 0 353.421 2.922 20 0 FFADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000436835548 514002516 /nfs/dbraw/zinc/00/25/16/514002516.db2.gz AJILWGIWSUBEEH-UHFFFAOYSA-N -2 0 360.347 2.546 20 0 FFADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436881670 514019565 /nfs/dbraw/zinc/01/95/65/514019565.db2.gz UPAHCTLPMJGCCG-UHFFFAOYSA-N -2 0 358.375 2.748 20 0 FFADRL CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000437678471 514209394 /nfs/dbraw/zinc/20/93/94/514209394.db2.gz OHFIJMRMNQURNH-UHFFFAOYSA-N -2 0 369.782 2.562 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1C(=O)[O-] ZINC000444419688 514225192 /nfs/dbraw/zinc/22/51/92/514225192.db2.gz AYAUYWBSONOUCC-UHFFFAOYSA-N -2 0 357.391 2.884 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c(F)c1 ZINC000444423894 514225900 /nfs/dbraw/zinc/22/59/00/514225900.db2.gz UJQLXUBTDFVKKU-UHFFFAOYSA-N -2 0 367.383 2.776 20 0 FFADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1O ZINC000433491581 514504647 /nfs/dbraw/zinc/50/46/47/514504647.db2.gz PSHGNWXHYBGUSX-UHFFFAOYSA-N -3 0 357.771 2.559 20 0 FFADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433517987 514507776 /nfs/dbraw/zinc/50/77/76/514507776.db2.gz FFPMUDMKALYEQA-UHFFFAOYSA-N -2 0 351.380 2.598 20 0 FFADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1O ZINC000484215286 514589380 /nfs/dbraw/zinc/58/93/80/514589380.db2.gz BDAJJHWMBZTELK-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1F ZINC000466284539 514595727 /nfs/dbraw/zinc/59/57/27/514595727.db2.gz AMACISNODOJRJE-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c(F)c1 ZINC000507995699 514634002 /nfs/dbraw/zinc/63/40/02/514634002.db2.gz WJIAPLHMNMBWPT-UHFFFAOYSA-N -2 0 367.251 2.881 20 0 FFADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)s1 ZINC000488984278 514662135 /nfs/dbraw/zinc/66/21/35/514662135.db2.gz PRPSHCUOLCKTDU-UHFFFAOYSA-N -2 0 358.416 2.960 20 0 FFADRL Cc1cc(C)c(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000484559100 514690576 /nfs/dbraw/zinc/69/05/76/514690576.db2.gz DMVVIHUXRCOLJM-UHFFFAOYSA-N -2 0 363.391 2.525 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])cc(C(=O)[O-])c1C ZINC000471113814 514757670 /nfs/dbraw/zinc/75/76/70/514757670.db2.gz BXQJDOAZQORSHS-UHFFFAOYSA-N -2 0 363.391 2.809 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc(C(=O)[O-])c1C ZINC000471134926 514767057 /nfs/dbraw/zinc/76/70/57/514767057.db2.gz XBLRPHHJXWLGFP-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cl)cc2c1OCCO2 ZINC000484983658 514863957 /nfs/dbraw/zinc/86/39/57/514863957.db2.gz COBBLAGEBQNPMJ-UHFFFAOYSA-N -2 0 369.782 2.610 20 0 FFADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C ZINC000480221302 514886648 /nfs/dbraw/zinc/88/66/48/514886648.db2.gz HONSWZUPQSKCTE-NSHDSACASA-N -2 0 351.428 2.970 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000471982171 515075598 /nfs/dbraw/zinc/07/55/98/515075598.db2.gz AQMJOOQRPOZKDF-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000509653666 515276413 /nfs/dbraw/zinc/27/64/13/515276413.db2.gz AWJRDYLZWPBNHV-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000509662896 515280868 /nfs/dbraw/zinc/28/08/68/515280868.db2.gz FIGZIYJZERUACP-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1C(=O)[O-] ZINC000511181281 515817234 /nfs/dbraw/zinc/81/72/34/515817234.db2.gz FRVBUSVOPYZMGX-UHFFFAOYSA-N -2 0 373.390 2.711 20 0 FFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000487433311 515860051 /nfs/dbraw/zinc/86/00/51/515860051.db2.gz YDTVFRNDXHPHGO-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c(C(=O)[O-])cc1C ZINC000478694530 515929263 /nfs/dbraw/zinc/92/92/63/515929263.db2.gz HIGNCXOBWCABIP-UHFFFAOYSA-N -2 0 351.428 2.655 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cc1 ZINC000494891988 515998069 /nfs/dbraw/zinc/99/80/69/515998069.db2.gz JVLDHQXCXMFNMU-UHFFFAOYSA-N -2 0 372.196 2.654 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000479194205 516099992 /nfs/dbraw/zinc/09/99/92/516099992.db2.gz XVAPECHKNPPMHT-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL Cc1sc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1[N+](=O)[O-] ZINC000547548895 516402350 /nfs/dbraw/zinc/40/23/50/516402350.db2.gz UIHLQJQZTSWORG-UHFFFAOYSA-N -2 0 356.381 2.772 20 0 FFADRL Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCC[C@H](CC(=O)[O-])C3)s2)c1 ZINC000561181760 516432581 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O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000548269381 516861248 /nfs/dbraw/zinc/86/12/48/516861248.db2.gz YPJWJNHVEWVUJX-NSHDSACASA-N -2 0 373.352 2.641 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(OC)cccc1OC ZINC000548592365 517071910 /nfs/dbraw/zinc/07/19/10/517071910.db2.gz CYNOWLQUEQUTTB-UHFFFAOYSA-N -2 0 365.407 2.765 20 0 FFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)o2)c(C(=O)[O-])c1 ZINC000546780605 517853514 /nfs/dbraw/zinc/85/35/14/517853514.db2.gz OBZWOUNZYPDCNL-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000530957453 518070567 /nfs/dbraw/zinc/07/05/67/518070567.db2.gz UCEFJHCXBCFRGG-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2c(OC)cc(OC)cc2C(=O)[O-])cc1 ZINC000522513393 518120237 /nfs/dbraw/zinc/12/02/37/518120237.db2.gz IZWOMYNTRGCXFE-UHFFFAOYSA-N -2 0 365.407 2.765 20 0 FFADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000564559826 518502511 /nfs/dbraw/zinc/50/25/11/518502511.db2.gz YXQRIZBSXPBBRR-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL CC[C@@H](C)CS(=O)(=O)[N-][C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000577105695 518916923 /nfs/dbraw/zinc/91/69/23/518916923.db2.gz DBCGDCZVLUJPPS-SKDRFNHKSA-N -2 0 353.362 2.954 20 0 FFADRL CSc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000577335211 519027166 /nfs/dbraw/zinc/02/71/66/519027166.db2.gz JEPYDYBHYAMAGP-UHFFFAOYSA-N -2 0 367.404 2.606 20 0 FFADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1 ZINC000581283643 519610939 /nfs/dbraw/zinc/61/09/39/519610939.db2.gz VGLOVBIMJUPUKT-UHFFFAOYSA-N -2 0 357.391 2.505 20 0 FFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccc(Cl)c1F)OCO2 ZINC000614769613 521130269 /nfs/dbraw/zinc/13/02/69/521130269.db2.gz NVQBHBVCVRCLQI-UHFFFAOYSA-N -2 0 373.745 2.707 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1 ZINC000614792496 521140329 /nfs/dbraw/zinc/14/03/29/521140329.db2.gz SHDZUUMHOPWLDI-UHFFFAOYSA-N -2 0 371.418 2.690 20 0 FFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C ZINC000611443614 521161212 /nfs/dbraw/zinc/16/12/12/521161212.db2.gz IGSOZJZNGDPBKK-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1Br ZINC000020593411 599734536 /nfs/dbraw/zinc/73/45/36/599734536.db2.gz ISJAHSQTSJKABS-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL CN(CCC(=O)[O-])C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000820585930 598195666 /nfs/dbraw/zinc/19/56/66/598195666.db2.gz FPGBEQGXTTUFKI-UHFFFAOYSA-N -2 0 363.391 2.817 20 0 FFADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000821103795 598201837 /nfs/dbraw/zinc/20/18/37/598201837.db2.gz RAYJLDXSQQGNBS-UHFFFAOYSA-N -2 0 356.403 2.971 20 0 FFADRL O=C([O-])Cc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1 ZINC000739876281 599942151 /nfs/dbraw/zinc/94/21/51/599942151.db2.gz CROXCSZVFFLOBL-UHFFFAOYSA-N -2 0 353.374 2.512 20 0 FFADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000737723831 600101054 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FFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC000736548688 600245474 /nfs/dbraw/zinc/24/54/74/600245474.db2.gz NRVSIYYKENTKDM-LLVKDONJSA-N -2 0 365.382 2.523 20 0 FFADRL O=C([O-])Nc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833288386 600676976 /nfs/dbraw/zinc/67/69/76/600676976.db2.gz DZMJCPQHVMBPDS-UHFFFAOYSA-N -2 0 370.770 2.929 20 0 FFADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000833335404 600983443 /nfs/dbraw/zinc/98/34/43/600983443.db2.gz WIVVSZNZKULDPI-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL CCc1nc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)sc1C ZINC000830318468 601200733 /nfs/dbraw/zinc/20/07/33/601200733.db2.gz PVXOMGVQTIJYRZ-UHFFFAOYSA-N -2 0 362.454 2.583 20 0 FFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000831945059 601204726 /nfs/dbraw/zinc/20/47/26/601204726.db2.gz FATVDAZCMFSRDW-UHFFFAOYSA-N -2 0 367.326 2.673 20 0 FFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)cc1C(=O)[O-] ZINC000833029121 601234057 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FFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)n[nH]2)s1 ZINC000444422465 514224797 /nfs/dbraw/zinc/22/47/97/514224797.db2.gz MHBVRZXUADOBIQ-UHFFFAOYSA-N -2 0 363.420 2.946 20 0 FFADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1C(=O)[O-] ZINC000438717026 514430308 /nfs/dbraw/zinc/43/03/08/514430308.db2.gz MVNSQPRGVDJQEG-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C(=O)[O-] ZINC000438765086 514437456 /nfs/dbraw/zinc/43/74/56/514437456.db2.gz MQLMLDXTWBPUBN-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCC3)cc1)C(=O)[O-] ZINC000421155763 514508775 /nfs/dbraw/zinc/50/87/75/514508775.db2.gz OODWVUDLZSHSGO-GFCCVEGCSA-N -2 0 361.419 2.686 20 0 FFADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(C)cccc2F)c1OC ZINC000479480226 514601021 /nfs/dbraw/zinc/60/10/21/514601021.db2.gz MYUZNAMPOOXNAC-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000479554302 514628855 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CC(C)COc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000584204591 518226039 /nfs/dbraw/zinc/22/60/39/518226039.db2.gz RXNRSAMRBLLQBF-UHFFFAOYSA-N -2 0 364.423 2.544 20 0 FFADRL O=C([O-])c1ccc([C@H]([N-]S(=O)(=O)CCC2CC2)C(F)(F)F)cc1 ZINC000566971409 518291276 /nfs/dbraw/zinc/29/12/76/518291276.db2.gz OWYNEIZDTFGMTN-LBPRGKRZSA-N -2 0 351.346 2.708 20 0 FFADRL CCOc1ccncc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1CC ZINC000573304977 518601767 /nfs/dbraw/zinc/60/17/67/518601767.db2.gz LAGWXPADTUTCQF-UHFFFAOYSA-N -2 0 350.396 2.542 20 0 FFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)cn1C ZINC000582166162 518619256 /nfs/dbraw/zinc/61/92/56/518619256.db2.gz WVRWVKRTOPWECT-UHFFFAOYSA-N -2 0 362.411 2.524 20 0 FFADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(F)c1 ZINC000588627456 518790529 /nfs/dbraw/zinc/79/05/29/518790529.db2.gz XBTQXGDJHCJCRM-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)NCC2CC(c3ccccc3)C2)c1 ZINC000582594330 518828489 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Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(Cl)c3C(=O)[O-])cc12 ZINC000606343039 521032529 /nfs/dbraw/zinc/03/25/29/521032529.db2.gz WACNCNDGRNXUCB-UHFFFAOYSA-N -2 0 367.770 2.684 20 0 FFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C ZINC000611444190 521162524 /nfs/dbraw/zinc/16/25/24/521162524.db2.gz XAUPMHFTDBCCQM-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000614844099 521167575 /nfs/dbraw/zinc/16/75/75/521167575.db2.gz JNPCZFUXRNOVEB-UHFFFAOYSA-N -2 0 368.436 2.986 20 0 FFADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000607030506 521238165 /nfs/dbraw/zinc/23/81/65/521238165.db2.gz BMXVNNCCJLWYLQ-UHFFFAOYSA-N -2 0 363.391 2.548 20 0 FFADRL Cc1cc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)ccc1C(=O)[O-] ZINC000821037470 597491985 /nfs/dbraw/zinc/49/19/85/597491985.db2.gz AKTUJBBHVVMFGM-UHFFFAOYSA-N -2 0 355.375 2.883 20 0 FFADRL C[C@@H](SCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)c1cccs1 ZINC000736191086 599523984 /nfs/dbraw/zinc/52/39/84/599523984.db2.gz VTKZYRXXFNDSIZ-MRVPVSSYSA-N -2 0 359.440 2.671 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)o1 ZINC000740187777 599739025 /nfs/dbraw/zinc/73/90/25/599739025.db2.gz VAZLWBHWYZJTHL-UHFFFAOYSA-N -2 0 351.380 2.705 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)o1 ZINC000320882543 599739427 /nfs/dbraw/zinc/73/94/27/599739427.db2.gz LUAFKCSOKHVAGW-UHFFFAOYSA-N -2 0 353.249 2.937 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)o1 ZINC000740187505 599740359 /nfs/dbraw/zinc/74/03/59/599740359.db2.gz OQNJORGQMQSMPC-UHFFFAOYSA-N -2 0 367.770 2.618 20 0 FFADRL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000736549130 599798674 /nfs/dbraw/zinc/79/86/74/599798674.db2.gz RZNJBLCRBRPPNB-ZDUSSCGKSA-N -2 0 367.467 2.937 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)nn1C ZINC000738546227 599885861 /nfs/dbraw/zinc/88/58/61/599885861.db2.gz OBOWNJBJOMLPDH-UHFFFAOYSA-N -2 0 365.455 2.816 20 0 FFADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000739051306 599886546 /nfs/dbraw/zinc/88/65/46/599886546.db2.gz SFAHXJXYYVMNQQ-UHFFFAOYSA-N -2 0 369.418 2.647 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)nn1C ZINC000738277894 599966826 /nfs/dbraw/zinc/96/68/26/599966826.db2.gz NEEQLVGZVYSTKG-UHFFFAOYSA-N -2 0 365.455 2.816 20 0 FFADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(F)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736752634 599989147 /nfs/dbraw/zinc/98/91/47/599989147.db2.gz YNMPTTQIDSZMAY-OAHLLOKOSA-N -2 0 350.346 2.506 20 0 FFADRL CCc1ccc([C@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])s1 ZINC000737260258 599989428 /nfs/dbraw/zinc/98/94/28/599989428.db2.gz HRGKYVZAYKEXBQ-OAHLLOKOSA-N -2 0 366.439 2.990 20 0 FFADRL Cc1ccc([C@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1F ZINC000736749655 600016889 /nfs/dbraw/zinc/01/68/89/600016889.db2.gz DNDOWFVSQDKLCC-MRXNPFEDSA-N -2 0 364.373 2.814 20 0 FFADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000020432539 600050733 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COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)c(C)c1C ZINC000738069914 600377008 /nfs/dbraw/zinc/37/70/08/600377008.db2.gz PSHAVASNKZLHCG-UHFFFAOYSA-N -2 0 356.425 2.576 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])c1 ZINC000737266386 600536145 /nfs/dbraw/zinc/53/61/45/600536145.db2.gz LJXOSWMZWBIDMT-UHFFFAOYSA-N -3 0 367.354 2.585 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1C(F)(F)F ZINC000738654636 600576676 /nfs/dbraw/zinc/57/66/76/600576676.db2.gz CNTGQGTZSFLILD-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL O=C([O-])COc1cccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000739832214 600615552 /nfs/dbraw/zinc/61/55/52/600615552.db2.gz QLDSZCQREOFZFF-DAXSKMNVSA-N -2 0 366.329 2.667 20 0 FFADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000740075285 600638288 /nfs/dbraw/zinc/63/82/88/600638288.db2.gz IBEPGIBSVRJILN-UHFFFAOYSA-N -2 0 367.766 2.509 20 0 FFADRL O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000740155840 600679238 /nfs/dbraw/zinc/67/92/38/600679238.db2.gz WRACGTDXAKGZIK-UHFFFAOYSA-N -2 0 361.784 2.599 20 0 FFADRL CCc1c([O-])nc(SC/C=C(/C)C(=O)[O-])n(-c2ccccc2C)c1=O ZINC000830209288 600728678 /nfs/dbraw/zinc/72/86/78/600728678.db2.gz INDRAFQZVXPKQJ-XFXZXTDPSA-N -2 0 360.435 2.932 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1C(=O)[O-] ZINC000020302017 600827076 /nfs/dbraw/zinc/82/70/76/600827076.db2.gz FYPLQAATIIGGJP-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000740154439 600886477 /nfs/dbraw/zinc/88/64/77/600886477.db2.gz BDJRNLPTNOQLPZ-UHFFFAOYSA-N -2 0 355.755 2.537 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738541215 600887810 /nfs/dbraw/zinc/88/78/10/600887810.db2.gz PBUFJAHRHXBFEB-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)sc1C(=O)[O-] ZINC000738463168 600888148 /nfs/dbraw/zinc/88/81/48/600888148.db2.gz AVMMFRJSRIBFSQ-UHFFFAOYSA-N -2 0 351.327 2.973 20 0 FFADRL COc1ccc([C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C(=O)[O-])cc1 ZINC000832246450 600932327 /nfs/dbraw/zinc/93/23/27/600932327.db2.gz VXRIYLHSVYDQPI-CQSZACIVSA-N -2 0 358.375 2.681 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cs1 ZINC000320754064 600980920 /nfs/dbraw/zinc/98/09/20/600980920.db2.gz XMSODNYHHJHISJ-UHFFFAOYSA-N -2 0 352.437 2.847 20 0 FFADRL CCCn1ccc2ccc([N-]S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])cc21 ZINC000737049924 601049777 /nfs/dbraw/zinc/04/97/77/601049777.db2.gz JWNJCQMDBQUVGF-UHFFFAOYSA-N -2 0 362.411 2.582 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)cc1Cl ZINC000832954703 601193214 /nfs/dbraw/zinc/19/32/14/601193214.db2.gz PFOYUFHHKJLUJX-UHFFFAOYSA-N -2 0 359.812 2.527 20 0 FFADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829373220 601230182 /nfs/dbraw/zinc/23/01/82/601230182.db2.gz MHBKWSQEHIJDLQ-UHFFFAOYSA-N -2 0 355.416 2.782 20 0 FFADRL O=C([O-])CCCc1nnc([N-]C(=O)c2occc2Br)s1 ZINC000833231899 601269023 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FFADRL CCc1cccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c1 ZINC000830269987 601772329 /nfs/dbraw/zinc/77/23/29/601772329.db2.gz IODQAUIOAHNLFC-UHFFFAOYSA-N -2 0 354.453 2.914 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c(Br)c1 ZINC000832955881 601783642 /nfs/dbraw/zinc/78/36/42/601783642.db2.gz RIQWRXRZIGUWEM-UHFFFAOYSA-N -2 0 373.228 2.595 20 0 FFADRL CC(C)COc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000826905753 601836494 /nfs/dbraw/zinc/83/64/94/601836494.db2.gz RJPBURLDYUWQML-UHFFFAOYSA-N -2 0 356.425 2.677 20 0 FFADRL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000828764462 601837685 /nfs/dbraw/zinc/83/76/85/601837685.db2.gz KEIGSNCKCPVACY-SECBINFHSA-N -2 0 356.425 2.819 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)ccc1Cl ZINC000833306510 601844078 /nfs/dbraw/zinc/84/40/78/601844078.db2.gz ZFOPMHHDRRYEHR-UHFFFAOYSA-N -2 0 359.816 2.568 20 0 FFADRL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC000827948336 601855604 /nfs/dbraw/zinc/85/56/04/601855604.db2.gz CWBFIAGPTDUVCT-CYBMUJFWSA-N -2 0 371.418 2.991 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)c(C)s1 ZINC000740094604 601977121 /nfs/dbraw/zinc/97/71/21/601977121.db2.gz UWHWEECVJIUDJM-UHFFFAOYSA-N -2 0 373.481 2.658 20 0 FFADRL Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000832886108 602030945 /nfs/dbraw/zinc/03/09/45/602030945.db2.gz VDUUXQGSBLBUCT-UHFFFAOYSA-N -2 0 359.812 2.527 20 0 FFADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n[nH]1 ZINC000829215362 602102565 /nfs/dbraw/zinc/10/25/65/602102565.db2.gz AVDQHGOPAMCXSU-SECBINFHSA-N -2 0 355.391 2.951 20 0 FFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)c1 ZINC000833344559 602103998 /nfs/dbraw/zinc/10/39/98/602103998.db2.gz VKMFJLGLQPCMOC-UHFFFAOYSA-N -2 0 373.462 2.827 20 0 FFADRL CCCCN1CCc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc21 ZINC000829395950 602106260 /nfs/dbraw/zinc/10/62/60/602106260.db2.gz IFVDLDKZWMBHFG-UHFFFAOYSA-N -2 0 364.423 2.941 20 0 FFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000833345772 602155731 /nfs/dbraw/zinc/15/57/31/602155731.db2.gz AQEFOCIPBFWQHF-UHFFFAOYSA-N -2 0 370.305 2.800 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000386743379 602157165 /nfs/dbraw/zinc/15/71/65/602157165.db2.gz YBTZCKSTKKEPNH-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC000833297021 602212733 /nfs/dbraw/zinc/21/27/33/602212733.db2.gz GVYMXTPFXQFDTJ-UHFFFAOYSA-N -2 0 369.758 2.628 20 0 FFADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)ccc1F ZINC000740697099 602566164 /nfs/dbraw/zinc/56/61/64/602566164.db2.gz FSTVLMAIOLRLSA-UHFFFAOYSA-N -2 0 372.761 2.688 20 0 FFADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000740716110 602653978 /nfs/dbraw/zinc/65/39/78/602653978.db2.gz SKDZSDAWLCYWKW-UHFFFAOYSA-N -2 0 372.815 2.940 20 0 FFADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739299999 602964552 /nfs/dbraw/zinc/96/45/52/602964552.db2.gz JQZQHBJKSQQHPR-VIFPVBQESA-N -2 0 362.835 2.926 20 0 FFADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000826572626 603446534 /nfs/dbraw/zinc/44/65/34/603446534.db2.gz YMGIEKFJAQWCEG-DOMZBBRYSA-N -2 0 370.471 2.514 20 0 FFADRL CN(C(=O)[O-])c1ccc(OC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC000827907743 603498867 /nfs/dbraw/zinc/49/88/67/603498867.db2.gz CBEOXVWSOSKNPW-UHFFFAOYSA-N -2 0 357.438 2.639 20 0 FFADRL O=C([O-])N1CCC(N(C(=O)c2ccc3[n-]c(=S)oc3c2)C2CC2)CC1 ZINC000831934368 603723997 /nfs/dbraw/zinc/72/39/97/603723997.db2.gz IJYPNFQADSAZMD-UHFFFAOYSA-N -2 0 361.423 2.864 20 0 FFADRL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000832356011 603835204 /nfs/dbraw/zinc/83/52/04/603835204.db2.gz AJCZBDBNKSWDQV-UONOGXRCSA-N -2 0 374.397 2.575 20 0 FFADRL O=C([O-])[C@@H](CC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1 ZINC000831292947 603912967 /nfs/dbraw/zinc/91/29/67/603912967.db2.gz TZRFBEYDEUVVPH-AWEZNQCLSA-N -2 0 354.362 2.924 20 0 FFADRL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000830000849 604275612 /nfs/dbraw/zinc/27/56/12/604275612.db2.gz NAOOVPYEBNYRBN-JTQLQIEISA-N -2 0 361.797 2.774 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1C(F)(F)F ZINC000833751046 604536136 /nfs/dbraw/zinc/53/61/36/604536136.db2.gz NBHAZKYWPFWDNS-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL O=C([O-])c1cccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000767735168 604631671 /nfs/dbraw/zinc/63/16/71/604631671.db2.gz LGOKWRYNXCEBRW-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL O=C([O-])CCc1csc(NC(=O)c2ccc(Br)cc2[O-])n1 ZINC000833240871 604724897 /nfs/dbraw/zinc/72/48/97/604724897.db2.gz QUCMWTRSPAMRNB-UHFFFAOYSA-N -2 0 371.212 2.881 20 0 FFADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000833417713 604999769 /nfs/dbraw/zinc/99/97/69/604999769.db2.gz VPFOOOLKYYPELL-CYBMUJFWSA-N -2 0 357.410 2.541 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cnc1Br ZINC000833747241 605264227 /nfs/dbraw/zinc/26/42/27/605264227.db2.gz UHRIWBOFQLMSKD-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC(C)(C)C1 ZINC000833588900 605677437 /nfs/dbraw/zinc/67/74/37/605677437.db2.gz HWSBHHHJHRYGLZ-VHSXEESVSA-N -2 0 359.469 2.714 20 0 FFADRL C[C@H]1CC(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C[C@H](C)C1 ZINC000833595548 605705300 /nfs/dbraw/zinc/70/53/00/605705300.db2.gz WNRIGFMDCLESRJ-NXEZZACHSA-N -2 0 373.858 2.915 20 0 FFADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000834275741 605944421 /nfs/dbraw/zinc/94/44/21/605944421.db2.gz NEOMWQZLDPFUDV-UHFFFAOYSA-N -2 0 361.301 2.991 20 0 FFADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000833791019 606054011 /nfs/dbraw/zinc/05/40/11/606054011.db2.gz SGEYXJYYZZRRHQ-PXAZEXFGSA-N -2 0 356.378 2.897 20 0 FFADRL O=C([O-])N[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)Cc1ccccc1 ZINC000834131186 606064902 /nfs/dbraw/zinc/06/49/02/606064902.db2.gz VFMMNUKDVUIFIE-CYBMUJFWSA-N -2 0 360.341 2.731 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000326827824 729790949 /nfs/dbraw/zinc/79/09/49/729790949.db2.gz KFAQCZPGNNKCPK-UHFFFAOYSA-N -2 0 372.305 2.680 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2c(OC)cccc2SC)cc1C(=O)[O-] ZINC000416959919 729854520 /nfs/dbraw/zinc/85/45/20/729854520.db2.gz QVJMNHKCLLTYLV-UHFFFAOYSA-N -2 0 370.452 2.738 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1F ZINC000427311879 729866332 /nfs/dbraw/zinc/86/63/32/729866332.db2.gz FWKMARQRTKYWOB-UHFFFAOYSA-N -2 0 367.354 2.585 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(O)c1 ZINC000442840533 729875154 /nfs/dbraw/zinc/87/51/54/729875154.db2.gz LMGZCIWGSNFGEN-UHFFFAOYSA-N -2 0 351.380 2.517 20 0 FFADRL Cc1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc(C(=O)[O-])c1 ZINC000507598227 729926652 /nfs/dbraw/zinc/92/66/52/729926652.db2.gz URKBRVIBYYTGGT-UHFFFAOYSA-N -2 0 363.391 2.655 20 0 FFADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000647261806 730728929 /nfs/dbraw/zinc/72/89/29/730728929.db2.gz NEVQHVYSQHRHNW-SVRRBLITSA-N -2 0 362.607 2.791 20 0 FFADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000647262355 730729083 /nfs/dbraw/zinc/72/90/83/730729083.db2.gz XTRVRGWVGMIFJY-SVRRBLITSA-N -2 0 362.607 2.791 20 0 FFADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000863953674 730818041 /nfs/dbraw/zinc/81/80/41/730818041.db2.gz UJVSRIMERCRTKJ-UHFFFAOYSA-N -2 0 368.238 2.689 20 0 FFADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000863952710 730818070 /nfs/dbraw/zinc/81/80/70/730818070.db2.gz DBGAPJSOSVEWMZ-ZETCQYMHSA-N -2 0 374.267 2.607 20 0 FFADRL CCS(=O)(CC)=NS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC000872360749 731756155 /nfs/dbraw/zinc/75/61/55/731756155.db2.gz UEUZWYRXZPMERS-UHFFFAOYSA-N -2 0 361.272 2.864 20 0 FFADRL CCc1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cn1CC1CC1 ZINC000663253844 732402970 /nfs/dbraw/zinc/40/29/70/732402970.db2.gz XZAKFDFYRIHISZ-UHFFFAOYSA-N -2 0 363.439 2.663 20 0 FFADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000685902500 734351045 /nfs/dbraw/zinc/35/10/45/734351045.db2.gz WIVBAQABOAQSMR-UHFFFAOYSA-N -2 0 366.342 2.969 20 0 FFADRL CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc2C1 ZINC000783861052 738843307 /nfs/dbraw/zinc/84/33/07/738843307.db2.gz CHSYLYNYKBYRHL-CYBMUJFWSA-N -2 0 367.448 2.669 20 0 FFADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000783874316 738844695 /nfs/dbraw/zinc/84/46/95/738844695.db2.gz RHGAQVLSWUKYEW-UHFFFAOYSA-N -2 0 355.318 2.666 20 0 FFADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753776536 736093544 /nfs/dbraw/zinc/09/35/44/736093544.db2.gz VQMRELQLMWGFOJ-UHFFFAOYSA-N -2 0 353.371 2.780 20 0 FFADRL O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@H]1C(F)(F)F ZINC000910390176 737068144 /nfs/dbraw/zinc/06/81/44/737068144.db2.gz FCLYXNCEPNPYRN-RNFRBKRXSA-N -2 0 355.671 2.520 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc2n[nH]cc21 ZINC000766330643 737220062 /nfs/dbraw/zinc/22/00/62/737220062.db2.gz XUPSTVNTMGZZCL-UHFFFAOYSA-N -2 0 363.370 2.818 20 0 FFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2O)cc1C(=O)[O-] ZINC000790382012 739445654 /nfs/dbraw/zinc/44/56/54/739445654.db2.gz HOTRSMQNIVIVAM-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000793393081 739776735 /nfs/dbraw/zinc/77/67/35/739776735.db2.gz AJLCZSZYQAAQGY-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000793410623 739778628 /nfs/dbraw/zinc/77/86/28/739778628.db2.gz FOBNXDYRXGQGHB-UHFFFAOYSA-N -2 0 369.418 2.876 20 0 FFADRL CO[C@@H]1Cc2ccc(NS(=O)(=O)c3cccc(Cl)c3[O-])cc2C1 ZINC000829911513 745278642 /nfs/dbraw/zinc/27/86/42/745278642.db2.gz YYOONQKYJBDSSI-CYBMUJFWSA-N -2 0 353.827 2.960 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)s2)cc1C(=O)[O-] ZINC000320604608 845800975 /nfs/dbraw/zinc/80/09/75/845800975.db2.gz YZLABZHUHXGORG-UHFFFAOYSA-N -2 0 356.425 2.658 20 0 FFADRL COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000323865451 971048079 /nfs/dbraw/zinc/04/80/79/971048079.db2.gz GYIMYQREJSYZTM-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL O=C([O-])c1c(F)ccc(S(=O)(=O)NC(C2CCC2)C2CCC2)c1F ZINC000325135761 971189013 /nfs/dbraw/zinc/18/90/13/971189013.db2.gz RMGANHYZSUJGDA-UHFFFAOYSA-N -2 0 359.394 2.910 20 0 FFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000327912192 971432982 /nfs/dbraw/zinc/43/29/82/971432982.db2.gz UIMMWOLAOZINIW-UHFFFAOYSA-N -2 0 358.375 2.742 20 0 FFADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCCCCC(=O)[O-] ZINC001589673941 949968553 /nfs/dbraw/zinc/96/85/53/949968553.db2.gz XVYCKSHUWNWTEV-UHFFFAOYSA-N -2 0 366.443 2.573 20 0 FFADRL O=Cc1ccc(-c2ccc([O-])c(C(=O)Nc3cncc(C(=O)[O-])c3)c2)o1 ZINC001595295304 950116468 /nfs/dbraw/zinc/11/64/68/950116468.db2.gz CLWGWDCWDZQIKG-UHFFFAOYSA-N -2 0 352.302 2.810 20 0 FFADRL O=C([O-])[C@H]1C[C@H]([NH2+]Cc2ncc(Br)cc2O)c2ccccc21 ZINC001594899675 954613516 /nfs/dbraw/zinc/61/35/16/954613516.db2.gz GMMGLEIMSWNFEU-STQMWFEESA-N -2 0 363.211 2.953 20 0 FFADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000392815053 972527015 /nfs/dbraw/zinc/52/70/15/972527015.db2.gz OSCWYIUJNNVNFT-UHFFFAOYSA-N -2 0 365.407 2.901 20 0 FFADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001175316822 1013443165 /nfs/dbraw/zinc/44/31/65/1013443165.db2.gz UGAWLPMKVFJKLG-UHFFFAOYSA-N -2 0 368.798 2.607 20 0 FFADRL O=C([O-])c1cccc(Nc2ncc(S(=O)(=O)[O-])cc2Br)c1 ZINC001175327176 1013444609 /nfs/dbraw/zinc/44/46/09/1013444609.db2.gz DQWAZTKFMIEEKO-UHFFFAOYSA-N -2 0 373.184 2.533 20 0 FFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000321128679 970746119 /nfs/dbraw/zinc/74/61/19/970746119.db2.gz FJXKMUKQGHRQBU-UHFFFAOYSA-N -2 0 350.377 2.902 20 0 FFADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc3oc(=S)[n-]c3c2)Cc2ccccc21 ZINC001606041512 973145600 /nfs/dbraw/zinc/14/56/00/973145600.db2.gz TUQIKOURHNYRLI-CYBMUJFWSA-N -2 0 354.387 2.941 20 0 FFADRL O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663026109 974858604 /nfs/dbraw/zinc/85/86/04/974858604.db2.gz NUVXKRASNZBROC-DFBGVHRSSA-N -2 0 373.384 2.575 20 0 FFADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)cn1 ZINC001591788517 975974119 /nfs/dbraw/zinc/97/41/19/975974119.db2.gz MEXQNZXHPIVMMF-UHFFFAOYSA-N -2 0 372.349 2.646 20 0 FFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(F)c(Cl)c(C(=O)[O-])c2)c1 ZINC001592145895 977006537 /nfs/dbraw/zinc/00/65/37/977006537.db2.gz YNVLTYWLAGQDCY-UHFFFAOYSA-N -2 0 361.782 2.756 20 0 FFADRL O=C([O-])c1cc(Cl)cnc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167936059 978192511 /nfs/dbraw/zinc/19/25/11/978192511.db2.gz VYXGMCVBPXVJNH-UHFFFAOYSA-N -2 0 368.713 2.518 20 0 FFADRL C[C@@H](Cc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1)C(=O)[O-] ZINC001592873123 979734115 /nfs/dbraw/zinc/73/41/15/979734115.db2.gz QLUXADRIQDHPGD-LBPRGKRZSA-N -2 0 357.362 2.666 20 0 FFADRL O=C([O-])c1ccccc1CNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001595255693 980235876 /nfs/dbraw/zinc/23/58/76/980235876.db2.gz GBZXKCFCBWJPIX-UHFFFAOYSA-N -2 0 371.780 2.860 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1OC ZINC001597555761 988283217 /nfs/dbraw/zinc/28/32/17/988283217.db2.gz HQMPFUQHFURNHH-UHFFFAOYSA-N -2 0 371.436 2.827 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CC[C@H](C(=O)[O-])C3)s1 ZINC001597562806 988310795 /nfs/dbraw/zinc/31/07/95/988310795.db2.gz RFQDRCMWPSLOLX-QMMMGPOBSA-N -2 0 372.493 2.757 20 0 FFADRL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001597604114 988478670 /nfs/dbraw/zinc/47/86/70/988478670.db2.gz FTOPRNDXLXKJEN-UHFFFAOYSA-N -2 0 367.810 2.719 20 0 FFADRL C[C@@H](C(=O)[O-])N(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001599831062 988676024 /nfs/dbraw/zinc/67/60/24/988676024.db2.gz YLDOLPBLUGVNCM-VIFPVBQESA-N -2 0 361.398 2.696 20 0 FFADRL CCc1nc([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)sc1C(=O)[O-] ZINC001597685393 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COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000045946352 507051039 /nfs/dbraw/zinc/05/10/39/507051039.db2.gz KGZQRVWWFHZEDA-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1Cl ZINC000063180313 507697949 /nfs/dbraw/zinc/69/79/49/507697949.db2.gz MGQAUHGZKWGETB-UHFFFAOYSA-N -2 0 362.772 2.809 20 0 FFADRL O=C([O-])c1csc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000097658138 508227303 /nfs/dbraw/zinc/22/73/03/508227303.db2.gz QGIXKEXSGWIVNK-UHFFFAOYSA-N -2 0 373.264 2.688 20 0 FFADRL COc1ccc(O)c(C(=O)NCc2ccc(O)c(Br)c2)c1 ZINC000151584818 509048333 /nfs/dbraw/zinc/04/83/33/509048333.db2.gz ULRAINPWKAWOFO-UHFFFAOYSA-N -2 0 352.184 2.799 20 0 FFADRL CC[C@](C)(CNS(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000211112984 509239842 /nfs/dbraw/zinc/23/98/42/509239842.db2.gz BFRNPEKIKYEIPD-LLVKDONJSA-N -2 0 370.290 2.598 20 0 FFADRL CCn1nc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1C1CC1 ZINC000267331313 509450518 /nfs/dbraw/zinc/45/05/18/509450518.db2.gz FSDHPRWRVMIYCC-UHFFFAOYSA-N -2 0 369.830 2.933 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c(F)c1 ZINC000174677334 510245625 /nfs/dbraw/zinc/24/56/25/510245625.db2.gz JMUYDHNMNGVOJY-UHFFFAOYSA-N -2 0 352.368 2.934 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c(C)c1C(=O)[O-] ZINC000187716560 510400474 /nfs/dbraw/zinc/40/04/74/510400474.db2.gz LHJQCSKOTNHVKM-GFCCVEGCSA-N -2 0 363.439 2.970 20 0 FFADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000181771269 510584599 /nfs/dbraw/zinc/58/45/99/510584599.db2.gz JLPFJVGZKFVQAW-GFCCVEGCSA-N -2 0 351.428 2.843 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cs1 ZINC000360238243 510889021 /nfs/dbraw/zinc/88/90/21/510889021.db2.gz PJEPDYVSMYUXFA-UHFFFAOYSA-N -2 0 366.420 2.522 20 0 FFADRL O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000363596333 511648313 /nfs/dbraw/zinc/64/83/13/511648313.db2.gz BRVZZORDYHCGHE-UHFFFAOYSA-N -2 0 362.338 2.980 20 0 FFADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323313123 511830795 /nfs/dbraw/zinc/83/07/95/511830795.db2.gz GJPWHYXAOHVEPQ-UHFFFAOYSA-N -2 0 356.787 2.633 20 0 FFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000326690196 511862878 /nfs/dbraw/zinc/86/28/78/511862878.db2.gz QWQKVLDPICIEMV-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL CCc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000327378173 511874787 /nfs/dbraw/zinc/87/47/87/511874787.db2.gz NOSVNBKWSZVVBK-UHFFFAOYSA-N -2 0 367.354 2.585 20 0 FFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)c1 ZINC000439626463 513154330 /nfs/dbraw/zinc/15/43/30/513154330.db2.gz QZVSUGKQEKXHMJ-UHFFFAOYSA-N -2 0 365.382 2.982 20 0 FFADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000446636483 513302039 /nfs/dbraw/zinc/30/20/39/513302039.db2.gz GHEJAPBHROVFIL-UHFFFAOYSA-N -2 0 369.420 2.622 20 0 FFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)n[nH]2)o1 ZINC000446649809 513306601 /nfs/dbraw/zinc/30/66/01/513306601.db2.gz VTFQNPDKASOWLH-UHFFFAOYSA-N -2 0 353.381 2.539 20 0 FFADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436162823 513778196 /nfs/dbraw/zinc/77/81/96/513778196.db2.gz UIQSJEDTSSWUOR-UHFFFAOYSA-N -2 0 355.375 2.643 20 0 FFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)s1 ZINC000436695529 513948221 /nfs/dbraw/zinc/94/82/21/513948221.db2.gz LYLLQKVNAXQMIQ-UHFFFAOYSA-N -2 0 370.452 2.917 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000436719432 513955680 /nfs/dbraw/zinc/95/56/80/513955680.db2.gz HJFXFXMAXJZOLX-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1 ZINC000436721695 513956771 /nfs/dbraw/zinc/95/67/71/513956771.db2.gz LGLYHKOJAHFFIQ-UHFFFAOYSA-N -2 0 365.407 2.987 20 0 FFADRL Cc1nc(C=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)[nH]c(=O)c1CCC(=O)[O-] ZINC000443456966 513975167 /nfs/dbraw/zinc/97/51/67/513975167.db2.gz RRJLRNSIEUJOMP-VFFGBVLKSA-N -2 0 372.377 2.530 20 0 FFADRL CCc1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000436897662 514025681 /nfs/dbraw/zinc/02/56/81/514025681.db2.gz STHTWTYTDZCBIT-UHFFFAOYSA-N -2 0 351.409 2.867 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c(F)c1 ZINC000438769615 514438811 /nfs/dbraw/zinc/43/88/11/514438811.db2.gz BVSZWSGGFUMOTQ-UHFFFAOYSA-N -2 0 352.368 2.934 20 0 FFADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438772974 514439854 /nfs/dbraw/zinc/43/98/54/514439854.db2.gz RBSDQZXOGCGGCL-UHFFFAOYSA-N -2 0 369.370 2.732 20 0 FFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000479481204 514601173 /nfs/dbraw/zinc/60/11/73/514601173.db2.gz PGQQMMOIMIDMKI-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)ccc1C(=O)[O-] ZINC000507978070 514628539 /nfs/dbraw/zinc/62/85/39/514628539.db2.gz FPDZBMIHLCZAPT-UHFFFAOYSA-N -2 0 351.428 2.737 20 0 FFADRL COCCc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000489156887 514732762 /nfs/dbraw/zinc/73/27/62/514732762.db2.gz UYFQMGPNHZFUAI-UHFFFAOYSA-N -2 0 353.371 2.514 20 0 FFADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000471123963 514762561 /nfs/dbraw/zinc/76/25/61/514762561.db2.gz VGPBANLYJTZDBL-UHFFFAOYSA-N -2 0 363.363 2.842 20 0 FFADRL CCCc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c(C(=O)[O-])c1 ZINC000502813579 514789993 /nfs/dbraw/zinc/78/99/93/514789993.db2.gz VBDYANWDSNTRSV-UHFFFAOYSA-N -2 0 363.439 2.671 20 0 FFADRL COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)CCC2 ZINC000480231060 514891036 /nfs/dbraw/zinc/89/10/36/514891036.db2.gz WDLRYCBKVKKVFI-UHFFFAOYSA-N -2 0 361.419 2.991 20 0 FFADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000480245599 514893884 /nfs/dbraw/zinc/89/38/84/514893884.db2.gz JKDQBJBVVFYFJK-LLVKDONJSA-N -2 0 351.428 2.590 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc1F ZINC000489728121 514953052 /nfs/dbraw/zinc/95/30/52/514953052.db2.gz YBMCBLYPRWOJJP-UHFFFAOYSA-N -2 0 373.365 2.782 20 0 FFADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(Cl)cnn2C)cc1)C(=O)[O-] ZINC000485394634 515023592 /nfs/dbraw/zinc/02/35/92/515023592.db2.gz JKKDWBJCDGGRNF-NSHDSACASA-N -2 0 371.846 2.528 20 0 FFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000476416960 515040660 /nfs/dbraw/zinc/04/06/60/515040660.db2.gz VHFWXFUTIJTONV-UHFFFAOYSA-N -2 0 371.418 2.988 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c(F)c1 ZINC000499282654 515266423 /nfs/dbraw/zinc/26/64/23/515266423.db2.gz KHXQPZCZHDGQDQ-UHFFFAOYSA-N -2 0 362.338 2.980 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c1 ZINC000499339449 515292383 /nfs/dbraw/zinc/29/23/83/515292383.db2.gz DYLPDCIFSCQDOX-UHFFFAOYSA-N -2 0 361.404 2.704 20 0 FFADRL O=C([O-])c1csc(Cc2ccc([N-]S(=O)(=O)c3ccoc3)cc2)n1 ZINC000504518194 515321368 /nfs/dbraw/zinc/32/13/68/515321368.db2.gz JRIPZIJDSNNCRW-UHFFFAOYSA-N -2 0 364.404 2.826 20 0 FFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000477391796 515439330 /nfs/dbraw/zinc/43/93/30/515439330.db2.gz JPLYEQVYUKVNBE-UHFFFAOYSA-N -2 0 369.782 2.846 20 0 FFADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1 ZINC000477394288 515439912 /nfs/dbraw/zinc/43/99/12/515439912.db2.gz FCJAIRXUEFZTLX-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000481954858 515527110 /nfs/dbraw/zinc/52/71/10/515527110.db2.gz CWQWVWHQQCENAZ-UHFFFAOYSA-N -2 0 373.770 2.609 20 0 FFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])o1 ZINC000481962797 515528162 /nfs/dbraw/zinc/52/81/62/515528162.db2.gz XIPIAHHOSDSQCR-UHFFFAOYSA-N -2 0 373.770 2.609 20 0 FFADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000478708638 515934997 /nfs/dbraw/zinc/93/49/97/515934997.db2.gz DQQVKEJYDGFVEA-GFCCVEGCSA-N -2 0 363.439 2.808 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000479187967 516096559 /nfs/dbraw/zinc/09/65/59/516096559.db2.gz CFLCXADSPQHAIW-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000479362527 516164254 /nfs/dbraw/zinc/16/42/54/516164254.db2.gz JUMWPCYGAQRCRY-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000488392165 516212312 /nfs/dbraw/zinc/21/23/12/516212312.db2.gz QFUNQDGXFJKNRT-LBPRGKRZSA-N -2 0 363.439 2.672 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000496096323 516235699 /nfs/dbraw/zinc/23/56/99/516235699.db2.gz VYEBYWPSRGKJGA-UHFFFAOYSA-N -3 0 355.393 2.508 20 0 FFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000460769695 516243560 /nfs/dbraw/zinc/24/35/60/516243560.db2.gz OSCUKFWFCHBWHJ-UHFFFAOYSA-N -2 0 370.452 2.993 20 0 FFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512753284 516346002 /nfs/dbraw/zinc/34/60/02/516346002.db2.gz WXEGQVWZHVARDD-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512753440 516346598 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Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])n2)ccc1OC(C)C ZINC000391615741 972350126 /nfs/dbraw/zinc/35/01/26/972350126.db2.gz KRVNAAKMWNCXGN-UHFFFAOYSA-N -2 0 350.396 2.676 20 0 FFADRL Cc1cnn(Cc2ccncc2)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236561 1013656420 /nfs/dbraw/zinc/65/64/20/1013656420.db2.gz ONYKCIBDVMZROW-UHFFFAOYSA-N -2 0 352.350 2.775 20 0 FFADRL COc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Br)n1 ZINC001176240222 1013656990 /nfs/dbraw/zinc/65/69/90/1013656990.db2.gz ZIODMESOCZADGU-UHFFFAOYSA-N -2 0 367.155 2.993 20 0 FFADRL CC1(C)Cc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2C(=O)N1 ZINC001176243419 1013658511 /nfs/dbraw/zinc/65/85/11/1013658511.db2.gz JCESOCXHWJXBJN-UHFFFAOYSA-N -2 0 354.362 2.891 20 0 FFADRL O=C([O-])c1ccccc1C1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000653279985 969621396 /nfs/dbraw/zinc/62/13/96/969621396.db2.gz RNPHBNXDAFFWER-FQEVSTJZSA-N -2 0 357.406 2.902 20 0 FFADRL O=C([O-])c1cncc(NC(=O)c2cc(Br)cc(F)c2[O-])c1 ZINC001606544735 970306685 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357.410 2.637 20 0 FFADRL CC[C@@H](C)C[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001594950401 982659586 /nfs/dbraw/zinc/65/95/86/982659586.db2.gz YLHLRKFZYXNBGX-ZWNOBZJWSA-N -2 0 365.817 2.851 20 0 FFADRL CCCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@H](C)C(=O)[O-] ZINC001595831456 982722546 /nfs/dbraw/zinc/72/25/46/982722546.db2.gz LQDFQFNQGZKXBH-SNVBAGLBSA-N -2 0 351.790 2.557 20 0 FFADRL CCCSc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC001595987524 983239619 /nfs/dbraw/zinc/23/96/19/983239619.db2.gz INMWKMPCGNYRRA-UHFFFAOYSA-N -2 0 359.454 2.539 20 0 FFADRL CCCc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n(C)n1 ZINC001596059025 983366920 /nfs/dbraw/zinc/36/69/20/983366920.db2.gz UZNXVCOZKUOQEU-UHFFFAOYSA-N -2 0 357.819 2.525 20 0 FFADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])ccc1C ZINC001596715889 984946703 /nfs/dbraw/zinc/94/67/03/984946703.db2.gz ZWWVFVLZVKGAJK-UHFFFAOYSA-N -2 0 369.420 2.732 20 0 FFADRL O=P([O-])([O-])OCCNc1ccc(-c2ccc(C(F)(F)F)cc2)nn1 ZINC001168589325 985655116 /nfs/dbraw/zinc/65/51/16/985655116.db2.gz GSRFXHHGAUXPPE-UHFFFAOYSA-N -2 0 363.232 2.684 20 0 FFADRL CCC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)cc1 ZINC001594720898 987200997 /nfs/dbraw/zinc/20/09/97/987200997.db2.gz CQLVFMNJUUOYNR-UHFFFAOYSA-N -2 0 351.380 2.934 20 0 FFADRL CCc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c1 ZINC001597601245 988457816 /nfs/dbraw/zinc/45/78/16/988457816.db2.gz UMOKBNQNYDSHSJ-LLVKDONJSA-N -2 0 366.464 2.696 20 0 FFADRL CCc1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1C(C)(C)C ZINC001597685585 988838481 /nfs/dbraw/zinc/83/84/81/988838481.db2.gz SJJRAWRVDVDSNJ-UHFFFAOYSA-N -2 0 357.457 2.830 20 0 FFADRL COc1cccc2c1ncc(C)c2N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001599689310 991041664 /nfs/dbraw/zinc/04/16/64/991041664.db2.gz IURIOKMEHOPMSI-HHGQXBFMSA-N -2 0 370.405 2.554 20 0 FFADRL CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)n[nH]1 ZINC001591476987 992595707 /nfs/dbraw/zinc/59/57/07/992595707.db2.gz CTKUVNVATIDETB-UHFFFAOYSA-N 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COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c1 ZINC001598929242 997711775 /nfs/dbraw/zinc/71/17/75/997711775.db2.gz XNZAAEPJOAQYRB-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COc1cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)ccc1C(=O)[O-] ZINC001599431450 997766668 /nfs/dbraw/zinc/76/66/68/997766668.db2.gz PUEPZBMFKCTEPD-IBGZPJMESA-N -2 0 357.362 2.765 20 0 FFADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2scc(C)c2C(=O)[O-])cc1C ZINC001598990923 998736972 /nfs/dbraw/zinc/73/69/72/998736972.db2.gz UOUJQTVVRMTJKF-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1C ZINC001599013362 998918051 /nfs/dbraw/zinc/91/80/51/998918051.db2.gz BDKPKVNKKHKGAR-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])C[C@@H]1C ZINC001594297171 999145680 /nfs/dbraw/zinc/14/56/80/999145680.db2.gz SNRGUOQSTWJAHY-OUAUKWLOSA-N -2 0 373.858 2.915 20 0 FFADRL C[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC001594402729 999509176 /nfs/dbraw/zinc/50/91/76/999509176.db2.gz HWYSXPUFRPQJJE-KCJUWKMLSA-N -2 0 374.315 2.978 20 0 FFADRL Cc1c(C)c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c(C)c(C)c1N ZINC001148926400 1001240512 /nfs/dbraw/zinc/24/05/12/1001240512.db2.gz MPEYQWFHIPKXJE-UHFFFAOYSA-N -2 0 364.423 2.707 20 0 FFADRL CCOC(=O)c1sc(S(=O)(=O)[N-]c2ccc([S-])cc2)nc1C ZINC001184957617 1002763731 /nfs/dbraw/zinc/76/37/31/1002763731.db2.gz VZHRFKBMAYKCOB-UHFFFAOYSA-N -2 0 358.466 2.718 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)cc1C(=O)[O-] ZINC001185277694 1002898125 /nfs/dbraw/zinc/89/81/25/1002898125.db2.gz GROBNKBHTKIZTH-UHFFFAOYSA-N -2 0 350.396 2.713 20 0 FFADRL COc1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1OC ZINC001192100542 1004052936 /nfs/dbraw/zinc/05/29/36/1004052936.db2.gz UHWQWFHBKPJLAI-UHFFFAOYSA-N -2 0 365.407 2.522 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cncc(OC(F)F)c2)cc1 ZINC001192113102 1004056900 /nfs/dbraw/zinc/05/69/00/1004056900.db2.gz HCIFGEYWDZKKCU-UHFFFAOYSA-N -2 0 372.349 2.501 20 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736093609 /nfs/dbraw/zinc/09/36/09/736093609.db2.gz OHJLEQBXOCSHNW-UHFFFAOYSA-N -2 0 363.370 2.818 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cnn1C ZINC000756805307 736362691 /nfs/dbraw/zinc/36/26/91/736362691.db2.gz RUQBFUKULIKYPV-UHFFFAOYSA-N -2 0 364.210 2.534 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc(Cl)c1F ZINC000767734272 737361985 /nfs/dbraw/zinc/36/19/85/737361985.db2.gz YNKOQHIGXXOVLH-UHFFFAOYSA-N -2 0 369.761 2.854 20 0 FFADRL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000918740439 737822317 /nfs/dbraw/zinc/82/23/17/737822317.db2.gz JRAXJBNUHNPIPV-UHFFFAOYSA-N -2 0 367.766 2.509 20 0 FFADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000790024831 739408184 /nfs/dbraw/zinc/40/81/84/739408184.db2.gz XTERSTRFOGTEDZ-VIFPVBQESA-N -2 0 356.703 2.826 20 0 FFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000793392901 739776692 /nfs/dbraw/zinc/77/66/92/739776692.db2.gz XPKFVOSXCBTNHT-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL Cc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000178997790 845724356 /nfs/dbraw/zinc/72/43/56/845724356.db2.gz QEDDYIDBIPBRHD-UHFFFAOYSA-N -2 0 364.210 2.534 20 0 FFADRL C[C@@H](O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000321580405 845800857 /nfs/dbraw/zinc/80/08/57/845800857.db2.gz OTJRVJGENYSHEG-SECBINFHSA-N -2 0 355.799 2.892 20 0 FFADRL CCOc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1C ZINC000327467792 971401370 /nfs/dbraw/zinc/40/13/70/971401370.db2.gz YIZWOPFKXQKCBP-UHFFFAOYSA-N -2 0 365.407 2.658 20 0 FFADRL O=Cc1ccc(-c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)c([O-])c2)o1 ZINC001595295427 950121732 /nfs/dbraw/zinc/12/17/32/950121732.db2.gz KYKBSDSJMAJNTH-UHFFFAOYSA-N -2 0 357.362 2.982 20 0 FFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1C(=O)[O-] ZINC000383631954 971883144 /nfs/dbraw/zinc/88/31/44/971883144.db2.gz BVYKCJZRIIIGHJ-UHFFFAOYSA-N -2 0 351.380 2.720 20 0 FFADRL Cn1cc(-c2csc(NC(=O)c3cccc(F)c3[O-])c2C(=O)[O-])cn1 ZINC001594522885 955467394 /nfs/dbraw/zinc/46/73/94/955467394.db2.gz FLQPKNFFFXAESX-UHFFFAOYSA-N -2 0 361.354 2.944 20 0 FFADRL CCOC(=O)c1ccsc1[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000391799856 972375256 /nfs/dbraw/zinc/37/52/56/972375256.db2.gz RRZIWCBFWZDKIO-UHFFFAOYSA-N -2 0 369.420 2.565 20 0 FFADRL O=C([O-])c1cccc2c1CCN(C(=O)c1cc(F)c(F)c([O-])c1F)C2 ZINC000392820491 972529324 /nfs/dbraw/zinc/52/93/24/972529324.db2.gz BWUNRKJYHFITSU-UHFFFAOYSA-N -2 0 351.280 2.706 20 0 FFADRL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000315553057 963913531 /nfs/dbraw/zinc/91/35/31/963913531.db2.gz XHWAXPQFRBAKDM-UHFFFAOYSA-N -2 0 360.844 2.967 20 0 FFADRL COC(=O)c1sc(SC)nc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237605 1013656124 /nfs/dbraw/zinc/65/61/24/1013656124.db2.gz XUDLFKCXNUBJIP-UHFFFAOYSA-N -2 0 368.392 2.792 20 0 FFADRL O=Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3CC(=O)[O-])c([O-])c2)o1 ZINC000874967529 1013938213 /nfs/dbraw/zinc/93/82/13/1013938213.db2.gz FDIKRCBNUONVDH-ZDUSSCGKSA-N -2 0 357.362 2.934 20 0 FFADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)n2)cc1 ZINC001604750896 973961754 /nfs/dbraw/zinc/96/17/54/973961754.db2.gz IDRWCBGUERQMPW-UHFFFAOYSA-N -2 0 367.361 2.845 20 0 FFADRL CC(C)Oc1c(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cccc1C(=O)[O-] ZINC001591742359 975760323 /nfs/dbraw/zinc/76/03/23/975760323.db2.gz XNHNMOHADRPSLA-QGZVFWFLSA-N -2 0 367.423 2.709 20 0 FFADRL CC(C)c1cccc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC001591994454 976631130 /nfs/dbraw/zinc/63/11/30/976631130.db2.gz KCODJZYYMWDKGF-UHFFFAOYSA-N -2 0 351.428 2.627 20 0 FFADRL C[C@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001592211236 977261435 /nfs/dbraw/zinc/26/14/35/977261435.db2.gz KPYBHVPOCRITMO-NFXKFNAJSA-N -2 0 374.212 2.503 20 0 FFADRL C[C@@](CC(=O)[O-])(NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccn1 ZINC001592308060 977673530 /nfs/dbraw/zinc/67/35/30/977673530.db2.gz CLOKSGFSPUDATF-KRWDZBQOSA-N -2 0 357.391 2.631 20 0 FFADRL C[C@H](CN(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1)C(=O)[O-] ZINC001592574752 978473954 /nfs/dbraw/zinc/47/39/54/978473954.db2.gz AAANFULWNNGUAP-LLVKDONJSA-N -2 0 354.428 2.579 20 0 FFADRL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC001595037018 979202407 /nfs/dbraw/zinc/20/24/07/979202407.db2.gz NGKXIGQGWOXPGP-SNVBAGLBSA-N -2 0 361.847 2.915 20 0 FFADRL CCC[C@H](C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001595532150 981370203 /nfs/dbraw/zinc/37/02/03/981370203.db2.gz FQWQGSSTFXXWPN-QNBXZPKWSA-N -2 0 359.422 2.594 20 0 FFADRL CCCCC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC001595680542 982154583 /nfs/dbraw/zinc/15/45/83/982154583.db2.gz FXRUISRESMGDQS-ZDUSSCGKSA-N -2 0 365.817 2.995 20 0 FFADRL CCCCC[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC001595683356 982171324 /nfs/dbraw/zinc/17/13/24/982171324.db2.gz PLMPVBYUYHRCBA-VIFPVBQESA-N -2 0 357.325 2.555 20 0 FFADRL CCCCC[C@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)C(=O)[O-] ZINC001595688195 982182821 /nfs/dbraw/zinc/18/28/21/982182821.db2.gz YBQBXOZXNCKPFS-VIFPVBQESA-N -2 0 350.824 2.517 20 0 FFADRL CCCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])[C@H](C)C(=O)[O-] ZINC001595831128 982720906 /nfs/dbraw/zinc/72/09/06/982720906.db2.gz IRBGKALLAZJNLU-SNVBAGLBSA-N -2 0 351.790 2.557 20 0 FFADRL CCCn1ncc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C1CC1 ZINC001596120089 983453677 /nfs/dbraw/zinc/45/36/77/983453677.db2.gz CMYRTXVSDPIMDD-UHFFFAOYSA-N -2 0 367.402 2.809 20 0 FFADRL Cc1[nH]c(C(=O)COC(=O)c2cc([S-])ccc2F)c(C)c1C(=O)[O-] ZINC001599949037 985576315 /nfs/dbraw/zinc/57/63/15/985576315.db2.gz PUVDDBWTXQSVME-UHFFFAOYSA-N -2 0 351.355 2.797 20 0 FFADRL O=P([O-])([O-])OCCNc1nnc(-c2cccs2)c2ccccc21 ZINC001168589353 985654775 /nfs/dbraw/zinc/65/47/75/985654775.db2.gz HXFMGQYDKQQWFE-UHFFFAOYSA-N -2 0 351.324 2.880 20 0 FFADRL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(C)c(C)s1 ZINC001597077144 986613078 /nfs/dbraw/zinc/61/30/78/986613078.db2.gz YKSPQGGXGPBQDN-UHFFFAOYSA-N -2 0 356.425 2.658 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC001597137300 986875730 /nfs/dbraw/zinc/87/57/30/986875730.db2.gz KEIIDEFGWAKIMA-UHFFFAOYSA-N -2 0 356.787 2.633 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)c(C(=O)[O-])s2)cn1 ZINC001597137663 986877625 /nfs/dbraw/zinc/87/76/25/986877625.db2.gz PNEIUYXHAFGVPU-UHFFFAOYSA-N -2 0 371.440 2.559 20 0 FFADRL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2scc(C)c2C(=O)[O-])cc1 ZINC001594713246 987180979 /nfs/dbraw/zinc/18/09/79/987180979.db2.gz MLTCYTMUYDRKDQ-UHFFFAOYSA-N -2 0 368.436 2.904 20 0 FFADRL CCc1cccc(C(=O)OC)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001597579158 988377945 /nfs/dbraw/zinc/37/79/45/988377945.db2.gz QXPMIMFNWDNYSG-UHFFFAOYSA-N -2 0 363.391 2.535 20 0 FFADRL CCc1cccc(CC)c1S(=O)(=O)[N-]c1cnn(C(C)(C)C(=O)[O-])c1 ZINC001597587149 988409443 /nfs/dbraw/zinc/40/94/43/988409443.db2.gz QOWKAIHAXFLNGR-UHFFFAOYSA-N -2 0 365.455 2.628 20 0 FFADRL CSc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1Cl ZINC001599819771 988491316 /nfs/dbraw/zinc/49/13/16/988491316.db2.gz HGNBOUHUDRVGQU-UHFFFAOYSA-N -2 0 358.828 2.956 20 0 FFADRL CSc1ccccc1S(=O)(=O)[N-]c1c(C)ccc(C(=O)[O-])c1O ZINC001599825974 988598771 /nfs/dbraw/zinc/59/87/71/988598771.db2.gz BYRLKIMINRLKET-UHFFFAOYSA-N -2 0 353.421 2.922 20 0 FFADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC001597661780 988733156 /nfs/dbraw/zinc/73/31/56/988733156.db2.gz WBRTVBNDYLXEIL-RMKNXTFCSA-N -2 0 352.437 2.913 20 0 FFADRL CN(C)c1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001598301002 991251063 /nfs/dbraw/zinc/25/10/63/991251063.db2.gz JAEQMPUTQZBXFR-UHFFFAOYSA-N -2 0 356.350 2.530 20 0 FFADRL COc1ccccc1CO[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001599713303 991409269 /nfs/dbraw/zinc/40/92/69/991409269.db2.gz ZQIFABVIEKTPJC-UHFFFAOYSA-N -2 0 354.362 2.596 20 0 FFADRL CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001591057727 991468545 /nfs/dbraw/zinc/46/85/45/991468545.db2.gz HONQYSWWLQMPQD-JYJNAYRXSA-N -2 0 367.467 2.721 20 0 FFADRL CN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598519593 992663065 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TWJIESLBRRRCPR-UHFFFAOYSA-N -2 0 357.409 2.578 20 0 FFADRL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc(Cl)c1C ZINC001599293275 997095646 /nfs/dbraw/zinc/09/56/46/997095646.db2.gz OGACELNKIPPPTQ-UHFFFAOYSA-N -2 0 370.814 2.689 20 0 FFADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nccc(C)c1C1CC1 ZINC001599503505 997168850 /nfs/dbraw/zinc/16/88/50/997168850.db2.gz VHKIEPNRAMCUSU-UHFFFAOYSA-N -2 0 362.407 2.775 20 0 FFADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1scc(C(=O)[O-])c1C ZINC001598911299 997374804 /nfs/dbraw/zinc/37/48/04/997374804.db2.gz DKEMWTAPTCKEND-UHFFFAOYSA-N -2 0 373.408 2.552 20 0 FFADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cc(C)sc1C(=O)[O-] ZINC001598911289 997375186 /nfs/dbraw/zinc/37/51/86/997375186.db2.gz RZIBAYBJNOCMJU-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C)cc1C ZINC001598950422 998140353 /nfs/dbraw/zinc/14/03/53/998140353.db2.gz XLBBAJGZTLEARN-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL CC1=C(C)C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CC1 ZINC001594109982 998201854 /nfs/dbraw/zinc/20/18/54/998201854.db2.gz NKGJIJQHWHYPGQ-LLVKDONJSA-N -2 0 371.842 2.980 20 0 FFADRL O=C(Nc1csc2cnccc12)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917044 1001233885 /nfs/dbraw/zinc/23/38/85/1001233885.db2.gz JYEJNNFTCPTQGS-UHFFFAOYSA-N -2 0 350.377 2.501 20 0 FFADRL O=C(Nc1cc2ccccc2cc1O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926247 1001240573 /nfs/dbraw/zinc/24/05/73/1001240573.db2.gz KULJYNNZCAWCQQ-UHFFFAOYSA-N -2 0 359.359 2.750 20 0 FFADRL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)n1C ZINC001196076367 1003662832 /nfs/dbraw/zinc/66/28/32/1003662832.db2.gz RAQOBRSFFHQFKZ-UHFFFAOYSA-N -2 0 371.418 2.895 20 0 FFADRL O=S(=O)([N-]c1cc([O-])c(F)c(F)c1)c1cccc(Br)n1 ZINC001196313852 1003731835 /nfs/dbraw/zinc/73/18/35/1003731835.db2.gz CXBKQONXVFQCCD-UHFFFAOYSA-N -2 0 365.155 2.629 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)cc1 ZINC001192109367 1004055535 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CC(C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001195195256 1004914044 /nfs/dbraw/zinc/91/40/44/1004914044.db2.gz URWYMSVKWNBKEI-UHFFFAOYSA-N -2 0 356.350 2.982 20 0 FFADRL Cc1cc(Cl)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195194701 1004914277 /nfs/dbraw/zinc/91/42/77/1004914277.db2.gz KPUIWTMUUQCEOJ-UHFFFAOYSA-N -2 0 362.741 2.821 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](C2CCC2)C(F)(F)F)c(F)cc1F ZINC001195255527 1004924981 /nfs/dbraw/zinc/92/49/81/1004924981.db2.gz XZULHAWPVAFDJF-NSHDSACASA-N -2 0 373.299 2.672 20 0 FFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2nccnc2C2CC2)c1 ZINC001187545778 1006135222 /nfs/dbraw/zinc/13/52/22/1006135222.db2.gz WFPOVWYEZMVVKQ-UHFFFAOYSA-N -2 0 353.787 2.506 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2snc3cccnc32)ccc1Cl ZINC001188282325 1006501144 /nfs/dbraw/zinc/50/11/44/1006501144.db2.gz LHWPIPXKSQVPJI-UHFFFAOYSA-N -2 0 369.811 2.844 20 0 FFADRL O=C(NCCOP(=O)([O-])[O-])Nc1ccc(Cl)cc1C(F)(F)F ZINC001189130134 1006918092 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ZINC001333550968 1048970289 /nfs/dbraw/zinc/97/02/89/1048970289.db2.gz PNJHPZIUZQGEMT-UHFFFAOYSA-N -2 0 369.761 2.854 20 0 FFADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001349673353 1055404127 /nfs/dbraw/zinc/40/41/27/1055404127.db2.gz DZHLSUPCOKSDCX-MNOVXSKESA-N -2 0 363.439 2.636 20 0 FFADRL CCC(CC)(CNC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])C(=O)[O-] ZINC001589502138 1080569355 /nfs/dbraw/zinc/56/93/55/1080569355.db2.gz AZUVUVLZWQGPHA-UHFFFAOYSA-N -2 0 363.389 2.646 20 0 FFADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001589609846 1080633726 /nfs/dbraw/zinc/63/37/26/1080633726.db2.gz LJUAYJZDRFCJKH-WQVCFCJDSA-N -2 0 374.437 2.832 20 0 FFADRL CC(=O)c1ccc([O-])c(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000272710267 252110060 /nfs/dbraw/zinc/11/00/60/252110060.db2.gz VFFAFZNVNSAEFI-UHFFFAOYSA-N -2 0 368.393 2.531 20 0 FFADRL O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332335967 258225860 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FFADRL O=C([O-])CCSCc1cccc(NC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000739753494 600067430 /nfs/dbraw/zinc/06/74/30/600067430.db2.gz NMIOUJVYKTTWSW-UHFFFAOYSA-N -2 0 360.391 2.740 20 0 FFADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738324627 600244449 /nfs/dbraw/zinc/24/44/49/600244449.db2.gz YCAOWUNRTJKZDA-UHFFFAOYSA-N -2 0 357.391 2.680 20 0 FFADRL Cc1ccc(F)c([C@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])c1 ZINC000736745720 600254078 /nfs/dbraw/zinc/25/40/78/600254078.db2.gz JZWOQTYBIMOCLA-MRXNPFEDSA-N -2 0 364.373 2.814 20 0 FFADRL CN(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737385192 600423475 /nfs/dbraw/zinc/42/34/75/600423475.db2.gz CEENUMRAXPDVIJ-UHFFFAOYSA-N -2 0 356.350 2.530 20 0 FFADRL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736564010 600459015 /nfs/dbraw/zinc/45/90/15/600459015.db2.gz UXDKRHYLYUQLMQ-GFCCVEGCSA-N -2 0 353.440 2.547 20 0 FFADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000322818024 600637096 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O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000833344963 601840315 /nfs/dbraw/zinc/84/03/15/601840315.db2.gz NLNZBMWVYRIUEN-UHFFFAOYSA-N -2 0 369.811 2.844 20 0 FFADRL O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])ccc1Cl ZINC000833300796 601860432 /nfs/dbraw/zinc/86/04/32/601860432.db2.gz LNDYYKCWTPDIJF-UHFFFAOYSA-N -2 0 373.745 2.676 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000326973642 601982480 /nfs/dbraw/zinc/98/24/80/601982480.db2.gz RGDNEXRQVDPNGH-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL CC1(C)Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cs3)ccc2O1 ZINC000828082545 602115323 /nfs/dbraw/zinc/11/53/23/602115323.db2.gz QFNRDRJEVHBFEJ-UHFFFAOYSA-N -2 0 353.421 2.961 20 0 FFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000833343571 602118191 /nfs/dbraw/zinc/11/81/91/602118191.db2.gz INLHOROHWLBLOX-UHFFFAOYSA-N -2 0 352.368 2.934 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c(Cl)cc1F ZINC000759165770 602307578 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COc1cc([N-]S(=O)(=O)c2sc(C)nc2C)ccc1NC(=O)[O-] ZINC000829198243 603501661 /nfs/dbraw/zinc/50/16/61/603501661.db2.gz PMDKETPLTATEGB-UHFFFAOYSA-N -2 0 357.413 2.659 20 0 FFADRL CN(CC(C)(C)CNC(=O)[O-])C(=O)c1cccc(Br)c1[O-] ZINC000828151446 603537410 /nfs/dbraw/zinc/53/74/10/603537410.db2.gz XZOZYRFMJVXFOQ-UHFFFAOYSA-N -2 0 359.220 2.521 20 0 FFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(CNC(=O)[O-])c2)cc1F ZINC000830055080 604262455 /nfs/dbraw/zinc/26/24/55/604262455.db2.gz OGZZXTIVCWLIFF-UHFFFAOYSA-N -2 0 356.350 2.842 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc(Br)c1 ZINC000385390172 604632641 /nfs/dbraw/zinc/63/26/41/604632641.db2.gz CQDWZKSAQIKKBS-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL CCCCn1ncc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1C ZINC000829447757 604793157 /nfs/dbraw/zinc/79/31/57/604793157.db2.gz RGNSVUPLNPOECI-UHFFFAOYSA-N -2 0 355.416 2.700 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)cc1 ZINC000833323577 604801497 /nfs/dbraw/zinc/80/14/97/604801497.db2.gz OLASBAQPLBWWRN-UHFFFAOYSA-N -2 0 360.363 2.895 20 0 FFADRL CCc1nc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)sc1C(=O)[O-] ZINC000833675788 604991658 /nfs/dbraw/zinc/99/16/58/604991658.db2.gz SOIWCLKUDUTFAO-BQYQJAHWSA-N -2 0 356.400 2.955 20 0 FFADRL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000832909164 605010279 /nfs/dbraw/zinc/01/02/79/605010279.db2.gz HRIIICXQMWAPER-UHFFFAOYSA-N -2 0 361.379 2.581 20 0 FFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCC(F)F)n1 ZINC000833747799 605027266 /nfs/dbraw/zinc/02/72/66/605027266.db2.gz JZWAGVAFZKQBMX-UHFFFAOYSA-N -2 0 372.349 2.533 20 0 FFADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000833747451 605117884 /nfs/dbraw/zinc/11/78/84/605117884.db2.gz PJJQVCJTWOPDFN-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833474699 605118054 /nfs/dbraw/zinc/11/80/54/605118054.db2.gz UMPOGWIVSLTLLY-SNVBAGLBSA-N -2 0 361.847 2.915 20 0 FFADRL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000833508265 605160797 /nfs/dbraw/zinc/16/07/97/605160797.db2.gz ANLXAOLDIJYRJH-JOCQHMNTSA-N -2 0 353.440 2.652 20 0 FFADRL O=C([O-])Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000834254784 606051054 /nfs/dbraw/zinc/05/10/54/606051054.db2.gz DDYREOGMHKWNJG-INIZCTEOSA-N -2 0 367.361 2.684 20 0 FFADRL Cc1oc(CN(C)C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)[O-])cc1C(=O)[O-] ZINC000833934221 606055080 /nfs/dbraw/zinc/05/50/80/606055080.db2.gz CHPPABLTQXQKDD-ZFWWWQNUSA-N -2 0 366.414 2.851 20 0 FFADRL O=C([O-])/C=C\c1ccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])cc1 ZINC000834060647 606055982 /nfs/dbraw/zinc/05/59/82/606055982.db2.gz ICCFXQSKSNRLOH-NLZINVLXSA-N -2 0 368.389 2.992 20 0 FFADRL O=C([O-])N[C@H](CCC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000834136216 606057274 /nfs/dbraw/zinc/05/72/74/606057274.db2.gz CGMOFODALUVFTL-MRXNPFEDSA-N -2 0 356.378 2.790 20 0 FFADRL O=C([O-])Cn1ccc2cc(NC(=O)c3ccc(CNC(=O)[O-])cc3)ccc21 ZINC000834069713 606059467 /nfs/dbraw/zinc/05/94/67/606059467.db2.gz WXHNXBHFPOHKBW-UHFFFAOYSA-N -2 0 367.361 2.746 20 0 FFADRL O=C([O-])CCSCc1cccc(NC(=O)C2CCN(C(=O)[O-])CC2)c1 ZINC000834059143 606060962 /nfs/dbraw/zinc/06/09/62/606060962.db2.gz HHFJNTGMPPLBBS-UHFFFAOYSA-N -2 0 366.439 2.723 20 0 FFADRL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000834173326 606061363 /nfs/dbraw/zinc/06/13/63/606061363.db2.gz QWVKMIHMOJWSCF-CBAPKCEASA-N -2 0 368.436 2.714 20 0 FFADRL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000834180136 606065539 /nfs/dbraw/zinc/06/55/39/606065539.db2.gz AHNGYNDRIFNSTI-ARFHVFGLSA-N -2 0 362.426 2.578 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000045947282 728010547 /nfs/dbraw/zinc/01/05/47/728010547.db2.gz VJDHUJBCLBXRPS-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1Cl ZINC000326097070 729789498 /nfs/dbraw/zinc/78/94/98/729789498.db2.gz BZBFCBUSLYIVLZ-UHFFFAOYSA-N -2 0 374.733 2.886 20 0 FFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1F ZINC000326063643 729789555 /nfs/dbraw/zinc/78/95/55/729789555.db2.gz DYSOPZZTKYYKQZ-UHFFFAOYSA-N -2 0 357.334 2.863 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000327703123 729793489 /nfs/dbraw/zinc/79/34/89/729793489.db2.gz OKASMGUVOSQMII-UHFFFAOYSA-N -2 0 368.342 2.795 20 0 FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1C(=O)[O-] ZINC000472785246 729905136 /nfs/dbraw/zinc/90/51/36/729905136.db2.gz GRHRKUHRYUZQPI-UHFFFAOYSA-N -2 0 360.313 2.908 20 0 FFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1F ZINC000480726741 729910139 /nfs/dbraw/zinc/91/01/39/729910139.db2.gz IQGJXOCPNRLKSS-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1 ZINC000647923947 730774115 /nfs/dbraw/zinc/77/41/15/730774115.db2.gz JOCLXVTZCOULJC-UHFFFAOYSA-N -2 0 358.375 2.982 20 0 FFADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000669837734 733275967 /nfs/dbraw/zinc/27/59/67/733275967.db2.gz ZNEIZCQRTQEHNF-UHFFFAOYSA-N -2 0 369.782 2.876 20 0 FFADRL CCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1CC(C)C ZINC000677417692 733944338 /nfs/dbraw/zinc/94/43/38/733944338.db2.gz NNKJIYKKQMHDSE-UHFFFAOYSA-N -2 0 357.457 2.662 20 0 FFADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000681567016 734005065 /nfs/dbraw/zinc/00/50/65/734005065.db2.gz RATNPWZOUSNDGL-UHFFFAOYSA-N -2 0 365.455 2.661 20 0 FFADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1C(=O)[O-] ZINC000684558656 734246731 /nfs/dbraw/zinc/24/67/31/734246731.db2.gz RRAYKNZDUHHHFO-UHFFFAOYSA-N -2 0 369.830 2.754 20 0 FFADRL Cc1cc(C(=O)N2CCCCc3sccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000684784996 734270449 /nfs/dbraw/zinc/27/04/49/734270449.db2.gz GHEVVZLRUADIIV-UHFFFAOYSA-N -2 0 356.407 2.789 20 0 FFADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000783877017 738845663 /nfs/dbraw/zinc/84/56/63/738845663.db2.gz NZAPZJCSNMNMBW-UHFFFAOYSA-N -2 0 373.308 2.806 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1F ZINC000753962355 736110705 /nfs/dbraw/zinc/11/07/05/736110705.db2.gz MUOBETYFWAZQIY-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000765059864 737077709 /nfs/dbraw/zinc/07/77/09/737077709.db2.gz FDBBUQAIJUXPSA-UHFFFAOYSA-N -2 0 357.819 2.696 20 0 FFADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000776484211 738198738 /nfs/dbraw/zinc/19/87/38/738198738.db2.gz CRQPMKSDUASVNS-UHFFFAOYSA-N -2 0 364.210 2.534 20 0 FFADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@H]([C@H]2CCCO2)C1 ZINC000923164171 738249193 /nfs/dbraw/zinc/24/91/93/738249193.db2.gz QPPFDXCBQBMUNW-BIGNPOOSSA-N -2 0 371.792 2.669 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)c1F ZINC000788491568 739249892 /nfs/dbraw/zinc/24/98/92/739249892.db2.gz ROXBSKQYAHOVMZ-UHFFFAOYSA-N -2 0 358.778 2.990 20 0 FFADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000790621813 739476533 /nfs/dbraw/zinc/47/65/33/739476533.db2.gz CQFDVRISEUZTHG-WCQYABFASA-N -2 0 367.389 2.580 20 0 FFADRL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC(C)(C)C1 ZINC000833591082 745788666 /nfs/dbraw/zinc/78/86/66/745788666.db2.gz UAFJMEPCOGTQBB-SWLSCSKDSA-N -2 0 367.467 2.793 20 0 FFADRL CC[C@](C)(CNS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)OC ZINC000840892352 747215711 /nfs/dbraw/zinc/21/57/11/747215711.db2.gz RBSKFKOKVPEYMA-CYBMUJFWSA-N -2 0 370.254 2.785 20 0 FFADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013278866 845025421 /nfs/dbraw/zinc/02/54/21/845025421.db2.gz NVDWUJMBWDSUHW-UHFFFAOYSA-N -2 0 367.404 2.606 20 0 FFADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)OC)c1 ZINC000057820942 845381284 /nfs/dbraw/zinc/38/12/84/845381284.db2.gz WYOHNHQOUVWFJJ-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCC3)cc1C(=O)[O-] ZINC000324567823 845803898 /nfs/dbraw/zinc/80/38/98/845803898.db2.gz BSWUHQWMMWACEO-UHFFFAOYSA-N -2 0 368.436 2.530 20 0 FFADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000391044883 845845882 /nfs/dbraw/zinc/84/58/82/845845882.db2.gz SDGOUKOZSQDWFG-UHFFFAOYSA-N -2 0 359.762 2.743 20 0 FFADRL CCCc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)n[nH]1 ZINC000322187982 970857252 /nfs/dbraw/zinc/85/72/52/970857252.db2.gz IVENHYSEQPJSSD-UHFFFAOYSA-N -2 0 361.782 2.654 20 0 FFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000322419899 970884847 /nfs/dbraw/zinc/88/48/47/970884847.db2.gz YVXPKPUQOLFCEB-UHFFFAOYSA-N -2 0 356.743 2.747 20 0 FFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1C(=O)[O-] ZINC000323952207 971065072 /nfs/dbraw/zinc/06/50/72/971065072.db2.gz OPXWZGAMQVCCIG-UHFFFAOYSA-N -2 0 361.322 2.997 20 0 FFADRL O=C([O-])CCc1cccc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC001602043916 971129647 /nfs/dbraw/zinc/12/96/47/971129647.db2.gz VQCCRFWESFWTPF-UHFFFAOYSA-N -2 0 369.352 2.987 20 0 FFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c1C(=O)[O-] ZINC000324727518 971151640 /nfs/dbraw/zinc/15/16/40/971151640.db2.gz HSSLCIJSVJMQQB-UHFFFAOYSA-N -2 0 354.340 2.612 20 0 FFADRL Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc2o1 ZINC000325579359 971228320 /nfs/dbraw/zinc/22/83/20/971228320.db2.gz OZEQOXQAMCQDJL-UHFFFAOYSA-N -2 0 350.327 2.774 20 0 FFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000325865177 971249506 /nfs/dbraw/zinc/24/95/06/971249506.db2.gz GVCBBZMDCACFFJ-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL CCCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)c1 ZINC000327967993 971438303 /nfs/dbraw/zinc/43/83/03/971438303.db2.gz FXQMNSWDXBUAKR-UHFFFAOYSA-N -2 0 365.407 2.983 20 0 FFADRL O=C([O-])CCc1cccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC001595063398 951524105 /nfs/dbraw/zinc/52/41/05/951524105.db2.gz WJQFGQMRAFZRBL-UHFFFAOYSA-N -2 0 367.401 2.902 20 0 FFADRL CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000391771976 972369911 /nfs/dbraw/zinc/36/99/11/972369911.db2.gz QEEZORPMBVEMTQ-UHFFFAOYSA-N -2 0 356.381 2.718 20 0 FFADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000392268148 972436121 /nfs/dbraw/zinc/43/61/21/972436121.db2.gz ZKNINLKDUZADKU-UHFFFAOYSA-N -2 0 365.407 2.658 20 0 FFADRL Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584443 960556975 /nfs/dbraw/zinc/55/69/75/960556975.db2.gz JEGGFOOYSXTOPI-ADEWGFFLSA-N -2 0 363.458 2.653 20 0 FFADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000316930301 964076559 /nfs/dbraw/zinc/07/65/59/964076559.db2.gz UEJGSHAAXHMRLZ-UHFFFAOYSA-N -2 0 352.315 2.661 20 0 FFADRL Cc1c(Br)c[nH]c(=O)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238790 1013656046 /nfs/dbraw/zinc/65/60/46/1013656046.db2.gz KICXQLVAFPGRPP-UHFFFAOYSA-N -2 0 367.155 2.998 20 0 FFADRL O=C([O-])c1cc(Nc2cccc(F)c2N2CCOCC2)cc(C(=O)[O-])c1 ZINC001176243885 1013658364 /nfs/dbraw/zinc/65/83/64/1013658364.db2.gz FEMXNYDNCPFEAU-UHFFFAOYSA-N -2 0 360.341 2.802 20 0 FFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1 ZINC000321174257 970749611 /nfs/dbraw/zinc/74/96/11/970749611.db2.gz RTGKIASLPILUBS-UHFFFAOYSA-N -2 0 352.437 2.662 20 0 FFADRL O=C([O-])C[C@H]1CCCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001606095081 973265065 /nfs/dbraw/zinc/26/50/65/973265065.db2.gz MLVDGCAADRLMCU-LLVKDONJSA-N -2 0 363.801 2.558 20 0 FFADRL CC(C)C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])CC(=O)[O-] ZINC000663139840 975134840 /nfs/dbraw/zinc/13/48/40/975134840.db2.gz QHZKELIBMAWQKY-LBPRGKRZSA-N -2 0 363.389 2.584 20 0 FFADRL Cc1cc(C(=O)N2CC(C)(C)c3ccc(F)cc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000650453802 1014558643 /nfs/dbraw/zinc/55/86/43/1014558643.db2.gz YATVBDDGYAZARX-UHFFFAOYSA-N -2 0 368.368 2.822 20 0 FFADRL CCC(CC)(CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(=O)[O-] ZINC001595071213 979340427 /nfs/dbraw/zinc/34/04/27/979340427.db2.gz KDECVPBGMHWKDZ-UHFFFAOYSA-N -2 0 374.340 2.999 20 0 FFADRL CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595125692 979509577 /nfs/dbraw/zinc/50/95/77/979509577.db2.gz GHWLPCXTSLTDOD-GFCCVEGCSA-N -2 0 357.428 2.779 20 0 FFADRL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595125831 979511525 /nfs/dbraw/zinc/51/15/25/979511525.db2.gz LPNMPIVAOYTEDG-GFCCVEGCSA-N -2 0 357.428 2.698 20 0 FFADRL CCCN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000908950308 981575859 /nfs/dbraw/zinc/57/58/59/981575859.db2.gz RRPUCLQLKCOOAA-UHFFFAOYSA-N -2 0 371.315 2.534 20 0 FFADRL CCCc1ccc(CCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001596062958 983373338 /nfs/dbraw/zinc/37/33/38/983373338.db2.gz OPZLMOAZOPMQRF-KGLIPLIRSA-N -2 0 369.483 2.517 20 0 FFADRL CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC001596720428 984963000 /nfs/dbraw/zinc/96/30/00/984963000.db2.gz IFAFNUXLUUQAQW-UHFFFAOYSA-N -2 0 369.420 2.732 20 0 FFADRL CCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccnn1C1CCC1 ZINC001597029085 986440827 /nfs/dbraw/zinc/44/08/27/986440827.db2.gz WMTHVBCRTGZTSZ-UHFFFAOYSA-N -2 0 365.411 2.506 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC)cc1C ZINC001597137684 986878454 /nfs/dbraw/zinc/87/84/54/986878454.db2.gz SGVHKBZXYYAWSV-UHFFFAOYSA-N -2 0 365.407 2.901 20 0 FFADRL CC[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccc(F)cc1 ZINC001594735457 987269112 /nfs/dbraw/zinc/26/91/12/987269112.db2.gz BSTGHCNAQPEGKU-NSHDSACASA-N -2 0 371.411 2.584 20 0 FFADRL CSc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1C(=O)[O-] ZINC001599816342 988431994 /nfs/dbraw/zinc/43/19/94/988431994.db2.gz DKKGMVZJCXHCFX-UHFFFAOYSA-N -2 0 352.412 2.825 20 0 FFADRL CSc1ccc(O)c(C(=O)N2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)c1 ZINC001599820187 988498618 /nfs/dbraw/zinc/49/86/18/988498618.db2.gz QZTIDFBTKBUYKM-HNNXBMFYSA-N -2 0 363.366 2.746 20 0 FFADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC001597661781 988732908 /nfs/dbraw/zinc/73/29/08/988732908.db2.gz WBRTVBNDYLXEIL-TWGQIWQCSA-N -2 0 352.437 2.913 20 0 FFADRL 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517707039 /nfs/dbraw/zinc/70/70/39/517707039.db2.gz BIGNJQYNNQIFNH-UHFFFAOYSA-N -2 0 369.782 2.626 20 0 FFADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000542944899 517831220 /nfs/dbraw/zinc/83/12/20/517831220.db2.gz GVKPZYLMSCDGBG-UHFFFAOYSA-N -2 0 369.782 2.876 20 0 FFADRL O=C([O-])C[C@H](CCNS(=O)(=O)c1cccc2ccoc21)C(F)(F)F ZINC000560480766 517835305 /nfs/dbraw/zinc/83/53/05/517835305.db2.gz LSLZYHWIQZWZCW-JTQLQIEISA-N -2 0 365.329 2.754 20 0 FFADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C ZINC000539398506 518027971 /nfs/dbraw/zinc/02/79/71/518027971.db2.gz JJBITDRGXMEFRO-NSHDSACASA-N -2 0 351.428 2.590 20 0 FFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c1 ZINC000539399990 518029810 /nfs/dbraw/zinc/02/98/10/518029810.db2.gz PGLKDWGQGOTETQ-UHFFFAOYSA-N -2 0 365.407 2.609 20 0 FFADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C(F)F ZINC000534792784 518034661 /nfs/dbraw/zinc/03/46/61/518034661.db2.gz KAYXRGLCAHBDAZ-UHFFFAOYSA-N -2 0 373.381 2.976 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519106400 /nfs/dbraw/zinc/10/64/00/519106400.db2.gz NMTOSIJCXOSBDN-NSHDSACASA-N -2 0 357.325 2.657 20 0 FFADRL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000583568568 519316844 /nfs/dbraw/zinc/31/68/44/519316844.db2.gz PBZRIRMSPJEEOB-OTYXRUKQSA-N -2 0 369.336 2.555 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)ccc1OCC(=O)[O-] ZINC000607103600 521259658 /nfs/dbraw/zinc/25/96/58/521259658.db2.gz IOAXYYNTLUSYIP-UHFFFAOYSA-N -2 0 371.798 2.618 20 0 FFADRL O=C([O-])CSCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000819539728 597490730 /nfs/dbraw/zinc/49/07/30/597490730.db2.gz MQMPMKGGBLKYOI-UHFFFAOYSA-N -2 0 354.609 2.564 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)o1 ZINC000740187450 599738170 /nfs/dbraw/zinc/73/81/70/599738170.db2.gz LHOROXLFXGVWST-UHFFFAOYSA-N -2 0 374.374 2.753 20 0 FFADRL CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737352495 599739537 /nfs/dbraw/zinc/73/95/37/599739537.db2.gz MZDUSTWQJAVJTE-UHFFFAOYSA-N -2 0 370.408 2.552 20 0 FFADRL 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ZINC000794594437 739908149 /nfs/dbraw/zinc/90/81/49/739908149.db2.gz PGQVSIZVWHQEKZ-UHFFFAOYSA-N -2 0 367.402 2.622 20 0 FFADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800839473 740554213 /nfs/dbraw/zinc/55/42/13/740554213.db2.gz IEBJUOPZPLYBQZ-UHFFFAOYSA-N -2 0 365.794 2.968 20 0 FFADRL CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000323848575 845803249 /nfs/dbraw/zinc/80/32/49/845803249.db2.gz BQIUNHNUZDDNEI-UHFFFAOYSA-N -2 0 369.420 2.732 20 0 FFADRL Cc1nc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)sc1C ZINC000321642482 970793209 /nfs/dbraw/zinc/79/32/09/970793209.db2.gz BBWLCRUNWPOAFY-UHFFFAOYSA-N -2 0 352.437 2.677 20 0 FFADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000323869391 971050002 /nfs/dbraw/zinc/05/00/02/971050002.db2.gz STPIKBJDHFIWLW-UHFFFAOYSA-N -2 0 356.381 2.772 20 0 FFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1C(=O)[O-] ZINC000325079797 971183414 /nfs/dbraw/zinc/18/34/14/971183414.db2.gz ZTPSNAUKVRQPQU-UHFFFAOYSA-N 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CC(F)(F)c1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC001592944009 980018242 /nfs/dbraw/zinc/01/82/42/980018242.db2.gz FRXDCWHNHMISJH-CABZTGNLSA-N -2 0 356.325 2.580 20 0 FFADRL CCC[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC001595536074 981380039 /nfs/dbraw/zinc/38/00/39/981380039.db2.gz OALIVKSOGIFXSB-ZDUSSCGKSA-N -2 0 365.407 2.675 20 0 FFADRL CCCCCc1nnc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)s1 ZINC001595728678 982361505 /nfs/dbraw/zinc/36/15/05/982361505.db2.gz WYPBCRPHYZNOME-UHFFFAOYSA-N -2 0 373.431 2.909 20 0 FFADRL CCCCN(C)c1ccc([N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC001595741688 982403890 /nfs/dbraw/zinc/40/38/90/982403890.db2.gz NVRKMZAMNDTUOA-UHFFFAOYSA-N -2 0 369.468 2.878 20 0 FFADRL CCCCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)nc1 ZINC001595796846 982604073 /nfs/dbraw/zinc/60/40/73/982604073.db2.gz JJUIOJYLSGPBCC-UHFFFAOYSA-N -2 0 367.402 2.766 20 0 FFADRL CCCc1csc([N-]S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])n1 ZINC001596074734 983389809 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CSc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)nc1 ZINC001599819651 988489859 /nfs/dbraw/zinc/48/98/59/988489859.db2.gz AOKFCTDUPDNJQX-UHFFFAOYSA-N -2 0 366.464 2.967 20 0 FFADRL CCc1nc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)sc1C(=O)[O-] ZINC001597685384 988832498 /nfs/dbraw/zinc/83/24/98/988832498.db2.gz MCYGOUYJVVFJGO-LBPRGKRZSA-N -2 0 370.452 2.533 20 0 FFADRL CCc1nc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)sc1C(=O)[O-] ZINC001597685381 988832931 /nfs/dbraw/zinc/83/29/31/988832931.db2.gz LVNLZRRIVWJGQF-UHFFFAOYSA-N -2 0 362.379 2.791 20 0 FFADRL CC(C)(C)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)o1 ZINC001590488010 990090703 /nfs/dbraw/zinc/09/07/03/990090703.db2.gz ZOHBWUNLVLPNME-UHFFFAOYSA-N -2 0 355.387 2.893 20 0 FFADRL CC(C)(CCNC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C(=O)[O-] ZINC001590679296 990389459 /nfs/dbraw/zinc/38/94/59/990389459.db2.gz MKVNAYFHHYVSPL-UHFFFAOYSA-N -2 0 354.428 2.948 20 0 FFADRL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)Cc1cccc(Cl)c1 ZINC001590765926 990569359 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Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000055587046 506789819 /nfs/dbraw/zinc/78/98/19/506789819.db2.gz XKJBSUWOTSVGFH-UHFFFAOYSA-N -2 0 367.354 2.640 20 0 FFADRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000071080639 507692423 /nfs/dbraw/zinc/69/24/23/507692423.db2.gz NPUILWBSKPUOAQ-UHFFFAOYSA-N -2 0 354.746 2.850 20 0 FFADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000145689908 508846390 /nfs/dbraw/zinc/84/63/90/508846390.db2.gz BLKFJZTXYKCIDO-UHFFFAOYSA-N -2 0 374.733 2.886 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000161819431 509156123 /nfs/dbraw/zinc/15/61/23/509156123.db2.gz LLCJCQFZHAUTMR-UHFFFAOYSA-N -2 0 374.422 2.625 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1C(=O)[O-] ZINC000164990829 509550500 /nfs/dbraw/zinc/55/05/00/509550500.db2.gz MKHAKPOOTJLTHG-UHFFFAOYSA-N -2 0 357.391 2.586 20 0 FFADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000266628344 510697627 /nfs/dbraw/zinc/69/76/27/510697627.db2.gz UYYAKKPMUPEKEU-UHFFFAOYSA-N -2 0 357.819 2.672 20 0 FFADRL Cc1cc(Cl)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000295159053 511304140 /nfs/dbraw/zinc/30/41/40/511304140.db2.gz DAEXKUPALYQYNP-UHFFFAOYSA-N -2 0 371.846 3.000 20 0 FFADRL CC(C)C[C@H](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)CC(=O)[O-] ZINC000321119979 511818502 /nfs/dbraw/zinc/81/85/02/511818502.db2.gz RXIXPGVOVUBSFG-VIFPVBQESA-N -2 0 353.362 2.519 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1C(=O)[O-] ZINC000326967266 511866465 /nfs/dbraw/zinc/86/64/65/511866465.db2.gz ORWOHWNDALWOED-UHFFFAOYSA-N -2 0 365.407 2.765 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000389341160 512901186 /nfs/dbraw/zinc/90/11/86/512901186.db2.gz WTSHZWKUIMBVMN-UHFFFAOYSA-N -2 0 371.418 2.739 20 0 FFADRL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1C(=O)[O-] ZINC000391827070 512918970 /nfs/dbraw/zinc/91/89/70/512918970.db2.gz XRNXWTHTPFBQFR-UHFFFAOYSA-N -2 0 363.420 2.648 20 0 FFADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000439624767 513153735 /nfs/dbraw/zinc/15/37/35/513153735.db2.gz ODRQBHSHVHUOMM-UHFFFAOYSA-N -2 0 369.345 2.813 20 0 FFADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)n[nH]2)o1 ZINC000446650065 513306072 /nfs/dbraw/zinc/30/60/72/513306072.db2.gz XLICVUODTKVURR-UHFFFAOYSA-N -2 0 365.342 2.616 20 0 FFADRL COc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1C ZINC000447264528 513429830 /nfs/dbraw/zinc/42/98/30/513429830.db2.gz NPIPIMUZUCKBAF-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL Cc1cccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1C(=O)[O-] ZINC000436005777 513735072 /nfs/dbraw/zinc/73/50/72/513735072.db2.gz HTIOYGPHNLLRTR-UHFFFAOYSA-N -2 0 369.402 2.951 20 0 FFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1 ZINC000438765114 514437728 /nfs/dbraw/zinc/43/77/28/514437728.db2.gz MXORECZZCYTDSD-UHFFFAOYSA-N -2 0 371.798 2.867 20 0 FFADRL CSCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000433517500 514507594 /nfs/dbraw/zinc/50/75/94/514507594.db2.gz MGMTYQHHQJHCRG-UHFFFAOYSA-N -2 0 367.448 2.797 20 0 FFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)c1 ZINC000484559056 514690713 /nfs/dbraw/zinc/69/07/13/514690713.db2.gz DKCXCEWGZYTSHH-UHFFFAOYSA-N -2 0 369.782 2.876 20 0 FFADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C ZINC000480220848 514885472 /nfs/dbraw/zinc/88/54/72/514885472.db2.gz GYAHIYVOQREUOW-LLVKDONJSA-N -2 0 351.428 2.970 20 0 FFADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000480226466 514888712 /nfs/dbraw/zinc/88/87/12/514888712.db2.gz ONXRXQUFCMGBKZ-VIFPVBQESA-N -2 0 355.391 2.801 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1F ZINC000489553076 514892508 /nfs/dbraw/zinc/89/25/08/514892508.db2.gz CNCLIDCFGFNHMW-UHFFFAOYSA-N -2 0 361.354 2.715 20 0 FFADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(F)F)c2)c1 ZINC000509600070 515252163 /nfs/dbraw/zinc/25/21/63/515252163.db2.gz HQLCOZIKAYJRBU-UHFFFAOYSA-N -2 0 371.317 2.821 20 0 FFADRL CCOc1cc(F)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000468572176 515418797 /nfs/dbraw/zinc/41/87/97/515418797.db2.gz RVFWYSCGYNUHFR-UHFFFAOYSA-N -2 0 358.329 2.535 20 0 FFADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])o1 ZINC000481977818 515534378 /nfs/dbraw/zinc/53/43/78/515534378.db2.gz YMXYQISVLUGCFC-UHFFFAOYSA-N -2 0 367.379 2.572 20 0 FFADRL Cc1cc(C(=O)Nc2ccc(F)cc2OC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000493412211 515629657 /nfs/dbraw/zinc/62/96/57/515629657.db2.gz VLUBFWOZSSXINO-UHFFFAOYSA-N -2 0 372.356 2.923 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC)cc1C(=O)[O-] ZINC000507021674 516055332 /nfs/dbraw/zinc/05/53/32/516055332.db2.gz KPEYKCUPWQBGKW-UHFFFAOYSA-N -2 0 369.370 2.732 20 0 FFADRL O=C(Nc1nc(-c2cccs2)cs1)c1cnc2nc(=O)[n-]c([O-])c2c1 ZINC000512132213 516165781 /nfs/dbraw/zinc/16/57/81/516165781.db2.gz QXNRWHRVMKGICI-UHFFFAOYSA-N -2 0 371.403 2.873 20 0 FFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000488361416 516205466 /nfs/dbraw/zinc/20/54/66/516205466.db2.gz AXDQLVJMRRVFCP-SNVBAGLBSA-N -2 0 367.402 2.801 20 0 FFADRL CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1F ZINC000507619920 516264491 /nfs/dbraw/zinc/26/44/91/516264491.db2.gz IOBKWTUMWUNNSI-UHFFFAOYSA-N -2 0 355.318 2.666 20 0 FFADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512732179 516339155 /nfs/dbraw/zinc/33/91/55/516339155.db2.gz CBTKXQXOZGQSJF-UHFFFAOYSA-N -2 0 353.371 2.780 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000547547040 516401469 /nfs/dbraw/zinc/40/14/69/516401469.db2.gz IEKQOZYZWFFVQB-UHFFFAOYSA-N -2 0 357.334 2.614 20 0 FFADRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c(F)c1 ZINC000547547118 516402103 /nfs/dbraw/zinc/40/21/03/516402103.db2.gz LECOJULMJSULOZ-UHFFFAOYSA-N -2 0 372.736 2.989 20 0 FFADRL CCCCN(CCCC)S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000547869002 516611629 /nfs/dbraw/zinc/61/16/29/516611629.db2.gz FRGHAECVNQREMG-UHFFFAOYSA-N -2 0 372.443 2.642 20 0 FFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513813977 516764309 /nfs/dbraw/zinc/76/43/09/516764309.db2.gz OXRHDYXSXFBLHB-UHFFFAOYSA-N -2 0 357.819 2.925 20 0 FFADRL COC(=O)c1coc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC000513813443 516764783 /nfs/dbraw/zinc/76/47/83/516764783.db2.gz DTEGEHXEBFUXEE-UHFFFAOYSA-N -2 0 373.770 2.527 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c(OC)c1 ZINC000548204889 516824787 /nfs/dbraw/zinc/82/47/87/516824787.db2.gz UBOYYXASBWLMKL-UHFFFAOYSA-N -2 0 365.407 2.820 20 0 FFADRL CCOCc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000525333308 517011512 /nfs/dbraw/zinc/01/15/12/517011512.db2.gz RJPARRXJNSVFHO-UHFFFAOYSA-N -2 0 354.366 2.533 20 0 FFADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000548769397 517204125 /nfs/dbraw/zinc/20/41/25/517204125.db2.gz VDXCDQDJIIRYDB-UHFFFAOYSA-N -2 0 364.276 2.739 20 0 FFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl)OCO2 ZINC000541842957 517246728 /nfs/dbraw/zinc/24/67/28/517246728.db2.gz SHSQTRIMVRIFRI-UHFFFAOYSA-N -2 0 373.745 2.707 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cs2)cc1C(=O)[O-] ZINC000533069153 517277281 /nfs/dbraw/zinc/27/72/81/517277281.db2.gz GXMJBQIYQZOZPY-UHFFFAOYSA-N -2 0 369.420 2.596 20 0 FFADRL Cc1cc(F)cc2c(=O)c(C(=O)N=c3nc(C4(C)CC4)[n-]s3)c[n-]c12 ZINC000529699624 517288671 /nfs/dbraw/zinc/28/86/71/517288671.db2.gz SPLOPNAKQIVDSH-UHFFFAOYSA-N -2 0 358.398 2.553 20 0 FFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000545829421 517384150 /nfs/dbraw/zinc/38/41/50/517384150.db2.gz HFTNCUXDUYJEFC-UHFFFAOYSA-N -2 0 351.428 2.509 20 0 FFADRL Cc1cc(C(=O)Nc2ccc3c(c2)CCCC3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000556402120 517412207 /nfs/dbraw/zinc/41/22/07/517412207.db2.gz GEYQMISYPIMWAV-UHFFFAOYSA-N -2 0 350.378 2.876 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])cn1 ZINC000556793737 517662770 /nfs/dbraw/zinc/66/27/70/517662770.db2.gz RTZHDZVNYQTDRC-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c[nH]1 ZINC000542735665 517709227 /nfs/dbraw/zinc/70/92/27/517709227.db2.gz SUGIGIMIONXCJO-UHFFFAOYSA-N -2 0 351.167 2.526 20 0 FFADRL O=C([O-])c1c[nH]c(=O)c2cc([N-]S(=O)(=O)c3ccsc3)ccc12 ZINC000560418776 517786238 /nfs/dbraw/zinc/78/62/38/517786238.db2.gz GOTPEEKDYOACNY-UHFFFAOYSA-N -2 0 350.377 2.501 20 0 FFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)cc1 ZINC000549935049 517793888 /nfs/dbraw/zinc/79/38/88/517793888.db2.gz VQLXIOHPXZSSKW-UHFFFAOYSA-N -2 0 372.349 2.501 20 0 FFADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)c2O1 ZINC000530540342 517839789 /nfs/dbraw/zinc/83/97/89/517839789.db2.gz YWUQMCBYGGYZRH-UHFFFAOYSA-N -2 0 361.419 2.828 20 0 FFADRL CCc1noc2ncc(S(=O)(=O)[N-]c3c(C)cccc3C(=O)[O-])cc12 ZINC000547245418 518034717 /nfs/dbraw/zinc/03/47/17/518034717.db2.gz LAMDMGOMAZZPDQ-UHFFFAOYSA-N -2 0 361.379 2.593 20 0 FFADRL CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C ZINC000539854358 518172509 /nfs/dbraw/zinc/17/25/09/518172509.db2.gz PFHLYAVRXGCQFA-UHFFFAOYSA-N -2 0 363.391 2.755 20 0 FFADRL CCc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cc1C(=O)[O-] ZINC000535347713 518175653 /nfs/dbraw/zinc/17/56/53/518175653.db2.gz RNABZZRVALQJDQ-UHFFFAOYSA-N -2 0 363.391 2.519 20 0 FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)s2)c(C(=O)[O-])c1 ZINC000587994574 518695254 /nfs/dbraw/zinc/69/52/54/518695254.db2.gz AYMFJVPNGTWRLD-UHFFFAOYSA-N -2 0 357.409 2.573 20 0 FFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000570945758 518855641 /nfs/dbraw/zinc/85/56/41/518855641.db2.gz ZKTQKNVEXROBNJ-UHFFFAOYSA-N -3 0 357.771 2.553 20 0 FFADRL C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C[C@H]1C(=O)[O-] ZINC000566224965 519379666 /nfs/dbraw/zinc/37/96/66/519379666.db2.gz NAAVQCSVSSMFJJ-HZGVNTEJSA-N -2 0 362.607 2.601 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)ccc1OCC(=O)[O-] ZINC000605613318 520929005 /nfs/dbraw/zinc/92/90/05/520929005.db2.gz ICNMYRPVRNXEOV-UHFFFAOYSA-N -2 0 371.798 2.618 20 0 FFADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000614888331 521184239 /nfs/dbraw/zinc/18/42/39/521184239.db2.gz PPYWEHZWQYUVLG-UHFFFAOYSA-N -2 0 352.412 2.703 20 0 FFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)s1 ZINC000630422346 522835863 /nfs/dbraw/zinc/83/58/63/522835863.db2.gz GANLRNKNUMGTQV-QWHCGFSZSA-N -2 0 352.437 2.749 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)o1 ZINC000321694011 599735693 /nfs/dbraw/zinc/73/56/93/599735693.db2.gz YTGHPNLECZFJJC-UHFFFAOYSA-N -2 0 352.755 2.980 20 0 FFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000740289281 599753351 /nfs/dbraw/zinc/75/33/51/599753351.db2.gz IEZVMOWIYLXLQI-UHFFFAOYSA-N -2 0 363.829 2.610 20 0 FFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C1CCCCC1 ZINC000736548272 599797193 /nfs/dbraw/zinc/79/71/93/599797193.db2.gz JGQBMKYPZAAUNO-SNVBAGLBSA-N -2 0 359.469 2.858 20 0 FFADRL Cc1cccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)nn2C)c1C(=O)[O-] ZINC000738745651 599886080 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FFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n(-c2ccccc2)n1 ZINC000738463821 600052365 /nfs/dbraw/zinc/05/23/65/600052365.db2.gz VUUQKDPQJBUMJQ-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL CCCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000737034802 600054202 /nfs/dbraw/zinc/05/42/02/600054202.db2.gz PQZBICNYRATRHI-UHFFFAOYSA-N -2 0 356.425 2.739 20 0 FFADRL Cn1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nc2cc(Cl)ccc21 ZINC000739014405 600127081 /nfs/dbraw/zinc/12/70/81/600127081.db2.gz PQKQVXXVCVDBOF-UHFFFAOYSA-N -2 0 371.827 2.787 20 0 FFADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000736892420 600130740 /nfs/dbraw/zinc/13/07/40/600130740.db2.gz OMPKISWZIIWYPU-ZDUSSCGKSA-N -2 0 361.419 2.774 20 0 FFADRL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)C(=O)[O-])cc1 ZINC000738570056 600171686 /nfs/dbraw/zinc/17/16/86/600171686.db2.gz ODDXBTSJOPSEBE-GFCCVEGCSA-N -2 0 373.352 2.559 20 0 FFADRL O=C([O-])c1cccc(CS(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000392190421 600177835 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COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000833732502 605191541 /nfs/dbraw/zinc/19/15/41/605191541.db2.gz RUDFQFLYWPSDBQ-OAHLLOKOSA-N -2 0 358.350 2.731 20 0 FFADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)ccc1NC(=O)[O-] ZINC000829961732 605420865 /nfs/dbraw/zinc/42/08/65/605420865.db2.gz KKWZHRVDGXTFIO-LBPRGKRZSA-N -2 0 362.407 2.906 20 0 FFADRL O=C([O-])COc1cccc(NC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])c1 ZINC000834066821 606056999 /nfs/dbraw/zinc/05/69/99/606056999.db2.gz WVSZAYDQEVDBDA-HUUCEWRRSA-N -2 0 364.398 2.695 20 0 FFADRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000834151406 606057163 /nfs/dbraw/zinc/05/71/63/606057163.db2.gz VHAFQNLTIKCLRB-AWEZNQCLSA-N -2 0 362.769 2.856 20 0 FFADRL O=C([O-])Nc1ccc(CC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000834255064 606113146 /nfs/dbraw/zinc/11/31/46/606113146.db2.gz FCJRXMNLVSYVNT-INIZCTEOSA-N -2 0 354.362 2.530 20 0 FFADRL O=C([O-])c1ccccc1OS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000007988249 727800534 /nfs/dbraw/zinc/80/05/34/727800534.db2.gz NIQYOSQOJOCJQZ-UHFFFAOYSA-N -2 0 356.739 2.504 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1C(=O)[O-] ZINC000324896567 729757842 /nfs/dbraw/zinc/75/78/42/729757842.db2.gz PBYDEOCUDWPLAN-UHFFFAOYSA-N -2 0 371.846 2.726 20 0 FFADRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000325554293 729758931 /nfs/dbraw/zinc/75/89/31/729758931.db2.gz IQPCSORQGSONEL-UHFFFAOYSA-N -2 0 372.736 2.989 20 0 FFADRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000325622177 729759112 /nfs/dbraw/zinc/75/91/12/729759112.db2.gz RWWKQCFXTRTDOM-UHFFFAOYSA-N -2 0 372.736 2.989 20 0 FFADRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000326029847 729759813 /nfs/dbraw/zinc/75/98/13/729759813.db2.gz STQPMDRVHKGWRC-UHFFFAOYSA-N -2 0 366.782 2.719 20 0 FFADRL CCCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)cn1 ZINC000479535927 729908899 /nfs/dbraw/zinc/90/88/99/729908899.db2.gz AVQVIDLWDGVWAT-UHFFFAOYSA-N -2 0 367.427 2.581 20 0 FFADRL Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000863964025 730818176 /nfs/dbraw/zinc/81/81/76/730818176.db2.gz BUXVJPKWINNQCD-CQSZACIVSA-N -2 0 367.467 2.517 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)c1Cl ZINC000769871773 737576178 /nfs/dbraw/zinc/57/61/78/737576178.db2.gz PVBAOFCZTWRKOW-UHFFFAOYSA-N -2 0 369.830 2.758 20 0 FFADRL Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C(F)(F)F)o1 ZINC000656182034 731554273 /nfs/dbraw/zinc/55/42/73/731554273.db2.gz ZKPKSSBRRANEGC-NSHDSACASA-N -2 0 367.301 2.770 20 0 FFADRL C[C@@H](NC(=O)c1cccc(Br)c1[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000739022274 735045668 /nfs/dbraw/zinc/04/56/68/735045668.db2.gz DRVTXYQEPTXWDX-ZJUUUORDSA-N -2 0 371.231 2.663 20 0 FFADRL COc1cc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)ccc1OCC(=O)[O-] ZINC000751039444 735841062 /nfs/dbraw/zinc/84/10/62/735841062.db2.gz RYLZXNOJNUKSEN-VKOMYYDGSA-N -2 0 361.375 2.883 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)c(F)cc1F ZINC000753363037 736059933 /nfs/dbraw/zinc/05/99/33/736059933.db2.gz YQRLQBXAJVIWOU-UHFFFAOYSA-N -2 0 371.262 2.530 20 0 FFADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1 ZINC000753783094 736094485 /nfs/dbraw/zinc/09/44/85/736094485.db2.gz MNHSXVCGCRICIR-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL O=C([O-])C[C@@H](NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-] ZINC000904051002 736212230 /nfs/dbraw/zinc/21/22/30/736212230.db2.gz QDNJXBHMGZCWAL-GFCCVEGCSA-N -2 0 357.284 2.983 20 0 FFADRL CC(C)(C(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC000906796345 736544692 /nfs/dbraw/zinc/54/46/92/736544692.db2.gz MKXDTMQKHUBILL-JTQLQIEISA-N -2 0 361.847 2.557 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc(C(=O)[O-])c1Cl ZINC000759114507 736548056 /nfs/dbraw/zinc/54/80/56/736548056.db2.gz QQIUDISOSVLWTI-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c1 ZINC000759114794 736548420 /nfs/dbraw/zinc/54/84/20/736548420.db2.gz UXEHVAWFPUKDQQ-UHFFFAOYSA-N -2 0 371.798 2.862 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc(C(=O)[O-])c1F ZINC000763280085 736922515 /nfs/dbraw/zinc/92/25/15/736922515.db2.gz JEEWPOYLPXNQTR-UHFFFAOYSA-N -2 0 359.762 2.992 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c1F ZINC000765101403 737082710 /nfs/dbraw/zinc/08/27/10/737082710.db2.gz FKXVMTVKHRTEBM-UHFFFAOYSA-N -2 0 369.418 2.876 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cnn1CC(C)C ZINC000766333686 737220649 /nfs/dbraw/zinc/22/06/49/737220649.db2.gz XRGKLTMXGACNJA-UHFFFAOYSA-N -2 0 369.418 2.794 20 0 FFADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)n2C)cc1)C(=O)[O-] ZINC000766371007 737223562 /nfs/dbraw/zinc/22/35/62/737223562.db2.gz QIGLSRFCQFXQBB-LLVKDONJSA-N -2 0 371.846 2.528 20 0 FFADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000768281729 737410322 /nfs/dbraw/zinc/41/03/22/737410322.db2.gz GDXHGXQZNWMIQQ-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000768283073 737410794 /nfs/dbraw/zinc/41/07/94/737410794.db2.gz MBCCLLKIEACQQR-UHFFFAOYSA-N -2 0 359.762 2.987 20 0 FFADRL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)CC1CCCC1 ZINC000776555130 738207358 /nfs/dbraw/zinc/20/73/58/738207358.db2.gz OIBMPMBUHMIDPR-JTQLQIEISA-N -2 0 365.373 2.663 20 0 FFADRL CC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000777782575 738319449 /nfs/dbraw/zinc/31/94/49/738319449.db2.gz QTHSZMVJEZSSQX-UHFFFAOYSA-N -2 0 355.375 2.785 20 0 FFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cnn1CC(C)C ZINC000793414818 739778900 /nfs/dbraw/zinc/77/89/00/739778900.db2.gz GIZXUBZKSOSYRU-UHFFFAOYSA-N -2 0 369.418 2.794 20 0 FFADRL C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccc(Cl)c1[O-] ZINC000848340982 748906292 /nfs/dbraw/zinc/90/62/92/748906292.db2.gz KMCGRXXOEHXYSW-LDYMZIIASA-N -2 0 364.751 2.717 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)s1 ZINC000321546666 970782099 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FFADRL O=C([O-])[C@@H]1C[C@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])c2ccccc21 ZINC001605742337 972382442 /nfs/dbraw/zinc/38/24/42/972382442.db2.gz AAOVCQSZTIUUJQ-CVEARBPZSA-N -2 0 363.373 2.621 20 0 FFADRL COC(=O)c1cnc(Cl)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238186 1013656017 /nfs/dbraw/zinc/65/60/17/1013656017.db2.gz KRNJCBBIIGAPEC-UHFFFAOYSA-N -2 0 350.714 2.662 20 0 FFADRL C[NH+]1CCN(Cc2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2)CC1 ZINC001176241543 1013657608 /nfs/dbraw/zinc/65/76/08/1013657608.db2.gz KXMGZSNSGQLSNZ-UHFFFAOYSA-N -2 0 369.421 2.574 20 0 FFADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874966583 1013937619 /nfs/dbraw/zinc/93/76/19/1013937619.db2.gz LLBCPOBMDHSJGU-DGCLKSJQSA-N -2 0 357.362 2.790 20 0 FFADRL C[C@H]1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C[C@@H]1C(=O)[O-] ZINC000874967207 1013938145 /nfs/dbraw/zinc/93/81/45/1013938145.db2.gz WCMJLRSHHNMBMD-NHYWBVRUSA-N -2 0 357.362 2.648 20 0 FFADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000874967004 1013938292 /nfs/dbraw/zinc/93/82/92/1013938292.db2.gz QHEIMOTYTUEGDP-YPMHNXCESA-N -2 0 357.362 2.648 20 0 FFADRL O=C([O-])CCc1cccc(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC001606210388 973457835 /nfs/dbraw/zinc/45/78/35/973457835.db2.gz NFCMSMPPOPCWNP-UHFFFAOYSA-N -2 0 355.466 2.575 20 0 FFADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001591767863 975884751 /nfs/dbraw/zinc/88/47/51/975884751.db2.gz STERCWCZPXWYNY-GFCCVEGCSA-N -2 0 352.387 2.650 20 0 FFADRL CC(C)c1oncc1[N-]S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001592108628 976895242 /nfs/dbraw/zinc/89/52/42/976895242.db2.gz SFWZHWKJDSDLCB-UHFFFAOYSA-N -2 0 352.412 2.961 20 0 FFADRL CC(C)[C@H](CNC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1)C(=O)[O-] ZINC000653544004 1014372531 /nfs/dbraw/zinc/37/25/31/1014372531.db2.gz IRFQDIKRFDPMNX-NSHDSACASA-N -2 0 374.422 2.852 20 0 FFADRL CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595036309 979193784 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20 0 FFADRL CCCCn1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])c(F)c2)c(C)n1 ZINC001595808866 982636303 /nfs/dbraw/zinc/63/63/03/982636303.db2.gz CCDUFHXTKIHDAD-UHFFFAOYSA-N -2 0 369.418 2.559 20 0 FFADRL CCCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@@H](C)C(=O)[O-] ZINC001595831454 982722318 /nfs/dbraw/zinc/72/23/18/982722318.db2.gz LQDFQFNQGZKXBH-JTQLQIEISA-N -2 0 351.790 2.557 20 0 FFADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)c1ccc(F)c(F)c1 ZINC001599948980 985575446 /nfs/dbraw/zinc/57/54/46/985575446.db2.gz USFVQTFANOZSDC-VIFPVBQESA-N -2 0 371.361 2.653 20 0 FFADRL O=P([O-])([O-])OCCNc1ncc(Cl)c(-c2c[nH]c3ccccc32)n1 ZINC001168586264 985628786 /nfs/dbraw/zinc/62/87/86/985628786.db2.gz GSPMVWNNLNANQH-UHFFFAOYSA-N -2 0 368.717 2.800 20 0 FFADRL Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1 ZINC001599973654 986053156 /nfs/dbraw/zinc/05/31/56/986053156.db2.gz PGLWWAJGLZCWKA-UHFFFAOYSA-N -2 0 371.212 2.652 20 0 FFADRL Cc1c2ccc(F)cc2sc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001599982135 986177938 /nfs/dbraw/zinc/17/79/38/986177938.db2.gz KWZFTFGYRYJIFW-VXNVDRBHSA-N -2 0 373.427 2.518 20 0 FFADRL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1sc(C)nc1C ZINC001597076133 986608667 /nfs/dbraw/zinc/60/86/67/986608667.db2.gz NFWQLCDHYCXRKA-UHFFFAOYSA-N -2 0 356.425 2.658 20 0 FFADRL CCc1[nH]c(C(=O)Nc2nccc(Br)c2[O-])c(C)c1C(=O)[O-] ZINC001597373873 987559581 /nfs/dbraw/zinc/55/95/81/987559581.db2.gz BXGJXTKVAZTUSP-UHFFFAOYSA-N -2 0 368.187 2.699 20 0 FFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)n1 ZINC001597604644 988482678 /nfs/dbraw/zinc/48/26/78/988482678.db2.gz ROGKRZHEJHJMPY-OAHLLOKOSA-N -2 0 359.426 2.760 20 0 FFADRL CSc1nc(C)c(CCC(=O)Nc2cc(C(=O)[O-])ccc2C)c(=O)[nH]1 ZINC001599827266 988615785 /nfs/dbraw/zinc/61/57/85/988615785.db2.gz AVALHVYXTBDPQT-UHFFFAOYSA-N -2 0 361.423 2.790 20 0 FFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C ZINC001597790719 989315438 /nfs/dbraw/zinc/31/54/38/989315438.db2.gz HKJULOUYENJGOP-UHFFFAOYSA-N -2 0 364.423 2.723 20 0 FFADRL CCn1nc(C)c(S(=O)(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)c1C ZINC001597942691 989919220 /nfs/dbraw/zinc/91/92/20/989919220.db2.gz BYVJZVMNEDDMGC-UHFFFAOYSA-N -2 0 371.846 2.981 20 0 FFADRL CCn1ncc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001597956967 989966873 /nfs/dbraw/zinc/96/68/73/989966873.db2.gz IOIHHDVJMHSSDF-UHFFFAOYSA-N -2 0 361.782 2.503 20 0 FFADRL COc1cccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1F ZINC001599684103 990958858 /nfs/dbraw/zinc/95/88/58/990958858.db2.gz GJSOFPBFIBWUFY-LLVKDONJSA-N -2 0 367.398 2.898 20 0 FFADRL CC(C)[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1Br)C(=O)[O-] ZINC001590988619 991186390 /nfs/dbraw/zinc/18/63/90/991186390.db2.gz NOUNWJGMKKXOGL-SECBINFHSA-N -2 0 373.203 2.626 20 0 FFADRL CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591058448 991473972 /nfs/dbraw/zinc/47/39/72/991473972.db2.gz PSGFBARPYPBSSK-BJOHPYRUSA-N -2 0 370.199 2.833 20 0 FFADRL COc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)cn1 ZINC001599598614 993783146 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CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cccc(CC(=O)[O-])c3)c2O1 ZINC000410046335 512190551 /nfs/dbraw/zinc/19/05/51/512190551.db2.gz YUFDOXSIDRFEQK-UHFFFAOYSA-N -2 0 361.419 2.828 20 0 FFADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000013358559 506939970 /nfs/dbraw/zinc/93/99/70/506939970.db2.gz WNZIKHZWPAROPE-UHFFFAOYSA-N -2 0 371.798 2.856 20 0 FFADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C)ccc2F)c(C(=O)[O-])c1 ZINC000068076797 507101971 /nfs/dbraw/zinc/10/19/71/507101971.db2.gz QRDPKOZBZFVKFQ-UHFFFAOYSA-N -2 0 369.370 2.650 20 0 FFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1Cl ZINC000047318081 507307555 /nfs/dbraw/zinc/30/75/55/507307555.db2.gz IYFZJVGFDYMFOT-UHFFFAOYSA-N -2 0 369.811 2.844 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000090167087 507912976 /nfs/dbraw/zinc/91/29/76/507912976.db2.gz YAUXNDZYMCVPRP-UHFFFAOYSA-N -2 0 350.274 2.501 20 0 FFADRL Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151427968 509014432 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2.988 20 0 FFADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000126833946 509135229 /nfs/dbraw/zinc/13/52/29/509135229.db2.gz LHBVQECAYUMYOD-UHFFFAOYSA-N -2 0 350.396 2.976 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000176510082 509551608 /nfs/dbraw/zinc/55/16/08/509551608.db2.gz HNMBTOSFQWSQQQ-UHFFFAOYSA-N -2 0 371.418 2.934 20 0 FFADRL Cc1cc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)ccc1C(=O)[O-] ZINC000311848243 511780678 /nfs/dbraw/zinc/78/06/78/511780678.db2.gz OMCAHMLQAFLVPV-UHFFFAOYSA-N -2 0 371.418 2.739 20 0 FFADRL Cc1cc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000274407114 511823971 /nfs/dbraw/zinc/82/39/71/511823971.db2.gz UHUQWKFOFRJFMY-SECBINFHSA-N -2 0 366.377 2.604 20 0 FFADRL COCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000323640079 511830337 /nfs/dbraw/zinc/83/03/37/511830337.db2.gz SKJHKAWQCCLFIH-UHFFFAOYSA-N -2 0 355.799 2.985 20 0 FFADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000326902369 511864830 /nfs/dbraw/zinc/86/48/30/511864830.db2.gz LNWRLERVZQMOFW-UHFFFAOYSA-N -2 0 363.391 2.809 20 0 FFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)C)cc1 ZINC000451098661 513518774 /nfs/dbraw/zinc/51/87/74/513518774.db2.gz UNVTXDOJHPEFKT-UHFFFAOYSA-N -2 0 351.380 2.926 20 0 FFADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000442826931 513789246 /nfs/dbraw/zinc/78/92/46/513789246.db2.gz JWOFJOGZKZGTLI-UHFFFAOYSA-N -2 0 369.420 2.651 20 0 FFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1C ZINC000436650435 513930951 /nfs/dbraw/zinc/93/09/51/513930951.db2.gz VVEHKENRDMLPTA-SNVBAGLBSA-N -2 0 367.427 2.676 20 0 FFADRL CCCOc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436725937 513958697 /nfs/dbraw/zinc/95/86/97/513958697.db2.gz SXANOTFVYWWDIS-UHFFFAOYSA-N -2 0 365.407 2.988 20 0 FFADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(Cl)c1 ZINC000436781147 513976906 /nfs/dbraw/zinc/97/69/06/513976906.db2.gz RTVLCPGNLWIQOA-UHFFFAOYSA-N -2 0 357.771 2.553 20 0 FFADRL COCc1nc(=NC(=O)c2cc(CCc3ccccc3)ccc2[O-])s[n-]1 ZINC000436840996 514004140 /nfs/dbraw/zinc/00/41/40/514004140.db2.gz QVJCKJULKZDUGN-UHFFFAOYSA-N -2 0 369.446 2.850 20 0 FFADRL CCC(CC)(CNC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)C(=O)[O-] ZINC000424387856 514469966 /nfs/dbraw/zinc/46/99/66/514469966.db2.gz XVVQABVKFVNPPS-FPLPWBNLSA-N -2 0 364.427 3.314 20 0 FFADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000439054469 514487648 /nfs/dbraw/zinc/48/76/48/514487648.db2.gz ZJYIXUMZQFUFCM-UHFFFAOYSA-N -2 0 353.421 2.905 20 0 FFADRL COc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Cl ZINC000466260387 514591175 /nfs/dbraw/zinc/59/11/75/514591175.db2.gz PASANXOBCQAQFH-UHFFFAOYSA-N -2 0 371.798 2.578 20 0 FFADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000479497661 514607680 /nfs/dbraw/zinc/60/76/80/514607680.db2.gz PHLACCVAUSZCRE-UHFFFAOYSA-N -2 0 351.380 2.511 20 0 FFADRL Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cc(C(=O)[O-])c1C ZINC000471135410 514765958 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FFADRL CC(C)CCOc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000509605129 515254013 /nfs/dbraw/zinc/25/40/13/515254013.db2.gz VJCPNKJLZUBMNL-UHFFFAOYSA-N -2 0 352.412 2.939 20 0 FFADRL CCn1cc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])nc1C ZINC000504298819 515266103 /nfs/dbraw/zinc/26/61/03/515266103.db2.gz JPKWXMVEPKVSAV-UHFFFAOYSA-N -2 0 357.819 2.672 20 0 FFADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000481441469 515329262 /nfs/dbraw/zinc/32/92/62/515329262.db2.gz VNFNJSTVSZXTHR-UHFFFAOYSA-N -2 0 351.380 2.680 20 0 FFADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000504592701 515336030 /nfs/dbraw/zinc/33/60/30/515336030.db2.gz MRRKXLJXOCJUOF-UHFFFAOYSA-N -2 0 351.428 2.525 20 0 FFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)s1 ZINC000486121089 515341523 /nfs/dbraw/zinc/34/15/23/515341523.db2.gz XTXWSVGCZADPBM-UHFFFAOYSA-N -2 0 370.452 2.912 20 0 FFADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000510137592 515447529 /nfs/dbraw/zinc/44/75/29/515447529.db2.gz WGIXEJROOWOHSD-UHFFFAOYSA-N -2 0 363.420 2.741 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)o1 ZINC000488291640 516187234 /nfs/dbraw/zinc/18/72/34/516187234.db2.gz HQPVTSDODLPHET-UHFFFAOYSA-N -2 0 365.285 2.986 20 0 FFADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)cc1C(=O)[O-] ZINC000539941861 516366917 /nfs/dbraw/zinc/36/69/17/516366917.db2.gz SEMFOLGOYJVZSQ-UHFFFAOYSA-N -2 0 351.380 2.598 20 0 FFADRL CC(C)C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cn1)CC(=O)[O-] ZINC000547572922 516415096 /nfs/dbraw/zinc/41/50/96/516415096.db2.gz PWLXSLGTPGYAQY-JTQLQIEISA-N -2 0 368.377 2.516 20 0 FFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000547616790 516439364 /nfs/dbraw/zinc/43/93/64/516439364.db2.gz GVSGRPVKPVVQDG-MRVPVSSYSA-N -2 0 355.334 2.866 20 0 FFADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000544092863 516577296 /nfs/dbraw/zinc/57/72/96/516577296.db2.gz BVBTYPBYBZIEJA-UHFFFAOYSA-N -2 0 369.418 2.794 20 0 FFADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2sccc2C)c(C(=O)[O-])c1 ZINC000547868737 516608808 /nfs/dbraw/zinc/60/88/08/516608808.db2.gz IJAVMFWBHYGQCH-UHFFFAOYSA-N -2 0 354.409 2.514 20 0 FFADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)c1F ZINC000513458028 516632052 /nfs/dbraw/zinc/63/20/52/516632052.db2.gz MTVAGEGXQLIEKZ-UHFFFAOYSA-N -2 0 365.382 2.982 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000547932434 516639128 /nfs/dbraw/zinc/63/91/28/516639128.db2.gz CRPOXTMJPKXBBH-UHFFFAOYSA-N -2 0 353.371 2.950 20 0 FFADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c1 ZINC000544354130 516720191 /nfs/dbraw/zinc/72/01/91/516720191.db2.gz UNVOOFZBBGMQJQ-UHFFFAOYSA-N -2 0 361.354 2.715 20 0 FFADRL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)(CC(=O)[O-])C1 ZINC000548215827 516832294 /nfs/dbraw/zinc/83/22/94/516832294.db2.gz SZDQSUIFKSNPFK-PSLIRLAXSA-N -2 0 365.373 2.663 20 0 FFADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000532417577 516965513 /nfs/dbraw/zinc/96/55/13/516965513.db2.gz JIIGSNVBYCSTQE-UHFFFAOYSA-N -2 0 363.391 2.755 20 0 FFADRL CCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C1CC1 ZINC000562707300 517322257 /nfs/dbraw/zinc/32/22/57/517322257.db2.gz UTWDIBQMHKWURG-UHFFFAOYSA-N -2 0 367.402 2.809 20 0 FFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1F ZINC000533628526 517550975 /nfs/dbraw/zinc/55/09/75/517550975.db2.gz OEHRTADXYZUBCE-UHFFFAOYSA-N -2 0 361.354 2.510 20 0 FFADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000533625828 517551801 /nfs/dbraw/zinc/55/18/01/517551801.db2.gz JEUAVNQHUGLXLN-UHFFFAOYSA-N -2 0 350.396 2.533 20 0 FFADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000533689956 517570796 /nfs/dbraw/zinc/57/07/96/517570796.db2.gz NJZCTBTVGUCUAX-UHFFFAOYSA-N -2 0 361.297 2.612 20 0 FFADRL COc1cc(S(=O)(=O)Nc2cc(F)c(C)cc2C(=O)[O-])ccc1F ZINC000527301107 517625017 /nfs/dbraw/zinc/62/50/17/517625017.db2.gz HSVGMNFDASUCLW-UHFFFAOYSA-N -2 0 357.334 2.781 20 0 FFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)c1C ZINC000530284611 517681354 /nfs/dbraw/zinc/68/13/54/517681354.db2.gz SDKRWOSXIPYUFZ-UHFFFAOYSA-N -2 0 363.439 2.791 20 0 FFADRL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1cc2ccccc2o1)C(F)(F)F ZINC000560420627 517787843 /nfs/dbraw/zinc/78/78/43/517787843.db2.gz DHCAYECBBYYZIP-JTQLQIEISA-N -2 0 365.329 2.754 20 0 FFADRL CC(C)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)[O-] ZINC000516698579 517814158 /nfs/dbraw/zinc/81/41/58/517814158.db2.gz PJUUDJALAUJZFZ-MRVPVSSYSA-N -2 0 373.780 2.994 20 0 FFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)o1 ZINC000557300606 517949844 /nfs/dbraw/zinc/94/98/44/517949844.db2.gz LTOJSKQMMJIFEB-UHFFFAOYSA-N -2 0 360.185 2.850 20 0 FFADRL O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000578648594 518311297 /nfs/dbraw/zinc/31/12/97/518311297.db2.gz XPRMJOQLRYIZDZ-UHFFFAOYSA-N -2 0 363.725 2.823 20 0 FFADRL CC(C)(C)CS(=O)(=O)[N-][C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000579117862 518531600 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369.830 2.758 20 0 FFADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000580596624 519257355 /nfs/dbraw/zinc/25/73/55/519257355.db2.gz ZEUAIAJNMWGOKP-UHFFFAOYSA-N -2 0 363.439 2.916 20 0 FFADRL CCc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cn1 ZINC000583604188 519333034 /nfs/dbraw/zinc/33/30/34/519333034.db2.gz KMVRBVKQZZUXFE-UHFFFAOYSA-N -2 0 369.468 2.897 20 0 FFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)o1 ZINC000740187415 599740486 /nfs/dbraw/zinc/74/04/86/599740486.db2.gz JANRTQNYQHAKOE-UHFFFAOYSA-N -2 0 374.374 2.753 20 0 FFADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000739956586 599798274 /nfs/dbraw/zinc/79/82/74/599798274.db2.gz GQVIANXNJRUBST-UHFFFAOYSA-N -2 0 368.455 2.587 20 0 FFADRL CCN1CCc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc21 ZINC000737123359 599801800 /nfs/dbraw/zinc/80/18/00/599801800.db2.gz UEASCMQWWXZTKE-UHFFFAOYSA-N -2 0 352.437 2.630 20 0 FFADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000737717083 599812546 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