smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CNn2cn[n-]c2=S)cc(Br)c1OCc1ccccc1Cl ZINC000001108534 194026320 /nfs/dbraw/zinc/02/63/20/194026320.db2.gz SVOCSNRSYJMMLJ-UHFFFAOYSA-N -1 1 455.765 4.688 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C(=O)C[C@@H](c4ccc(OC(C)C)cc4)C3=O)cc2)cc1 ZINC000001164143 194056516 /nfs/dbraw/zinc/05/65/16/194056516.db2.gz HLYNXUYJQCFMLC-DEOSSOPVSA-N -1 1 478.570 4.630 50 0 JJAAMM COc1ccc(Cl)cc1-n1c2nc(SCC(=O)N3CCC(C)CC3)[n-]c(=O)c2sc1=S ZINC000003034176 194213951 /nfs/dbraw/zinc/21/39/51/194213951.db2.gz JDADMHQZEIMBBM-UHFFFAOYSA-N -1 1 497.067 4.517 50 0 JJAAMM O=C(OCc1cccs1)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003287780 194265457 /nfs/dbraw/zinc/26/54/57/194265457.db2.gz GZPOYSSQBVXPOO-UHFFFAOYSA-N -1 1 452.351 4.668 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN3c4cccc5cccc(c45)C3=O)cc2)c1 ZINC000003644902 194348360 /nfs/dbraw/zinc/34/83/60/194348360.db2.gz RLTUFHXALRUKJF-UHFFFAOYSA-N -1 1 471.538 4.548 50 0 JJAAMM COc1ccc(NC(=O)c2sc3[n-]c(-c4cc5cc(Cl)ccc5oc4=O)nc(=O)c3c2C)cc1 ZINC000009405632 194745052 /nfs/dbraw/zinc/74/50/52/194745052.db2.gz RSZGCNKZWVNWMA-UHFFFAOYSA-N -1 1 493.928 4.981 50 0 JJAAMM CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[n-]1)C(=O)Nc1ccccc1F ZINC000009909041 195019959 /nfs/dbraw/zinc/01/99/59/195019959.db2.gz ZNWWEKKHGMJCEQ-LJQANCHMSA-N -1 1 489.594 4.787 50 0 JJAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009913560 195022531 /nfs/dbraw/zinc/02/25/31/195022531.db2.gz LJGODUMCYUVRIJ-HSZRJFAPSA-N -1 1 478.570 4.626 50 0 JJAAMM CN(Cc1ccc(F)cc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012605450 195050917 /nfs/dbraw/zinc/05/09/17/195050917.db2.gz PJFIKPDNFRLGFZ-UHFFFAOYSA-N -1 1 477.355 4.661 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 ZINC000012605731 195051455 /nfs/dbraw/zinc/05/14/55/195051455.db2.gz JPHVLCDSGYHOKL-UHFFFAOYSA-N -1 1 450.969 4.558 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)c1C ZINC000012776845 195121332 /nfs/dbraw/zinc/12/13/32/195121332.db2.gz LQVZALPYEBYSPN-XMMPIXPASA-N -1 1 492.597 4.853 50 0 JJAAMM CCOc1cc2c(cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc1)O[C@@H](C)C2 ZINC000012788405 195129735 /nfs/dbraw/zinc/12/97/35/195129735.db2.gz NRSYGQAQKMRVMO-INIZCTEOSA-N -1 1 484.549 4.530 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC(=O)Nc3cccc4ccccc43)c2)cc1 ZINC000012812830 195145353 /nfs/dbraw/zinc/14/53/53/195145353.db2.gz WYAYJRVYRODYMF-UHFFFAOYSA-N -1 1 487.581 4.660 50 0 JJAAMM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2c1 ZINC000020735155 195212466 /nfs/dbraw/zinc/21/24/66/195212466.db2.gz COQKLIUUFRBLDO-HHHXNRCGSA-N -1 1 491.538 4.988 50 0 JJAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccccc1 ZINC000020903827 195243607 /nfs/dbraw/zinc/24/36/07/195243607.db2.gz DQKBDHMTPDPWPY-FPOVZHCZSA-N -1 1 460.584 4.926 50 0 JJAAMM CCN(CC)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c(C)c1 ZINC000021154488 195284272 /nfs/dbraw/zinc/28/42/72/195284272.db2.gz OVZVSXVHEZXBJJ-UHFFFAOYSA-N -1 1 474.671 4.614 50 0 JJAAMM COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000021784393 195320901 /nfs/dbraw/zinc/32/09/01/195320901.db2.gz KQYMJMIRLZNSNE-HNNXBMFYSA-N -1 1 472.364 4.720 50 0 JJAAMM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4cccc(F)c4)ccc3n2C)cc1 ZINC000033277025 520546945 /nfs/dbraw/zinc/54/69/45/520546945.db2.gz HFDHSMOWBNUMAF-UHFFFAOYSA-N -1 1 480.565 4.662 50 0 JJAAMM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000021707074 520657169 /nfs/dbraw/zinc/65/71/69/520657169.db2.gz UEKURMMRVSJPQQ-OAQYLSRUSA-N -1 1 499.677 4.553 50 0 JJAAMM CC1CCC(NC(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)CC1 ZINC000049421126 520950257 /nfs/dbraw/zinc/95/02/57/520950257.db2.gz BGQSQZRCVLJRSV-CUYAVPTFSA-N -1 1 450.608 4.563 50 0 JJAAMM CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1OCC ZINC000086057058 521271649 /nfs/dbraw/zinc/27/16/49/521271649.db2.gz VRXRNUYQRNFTQG-GOSISDBHSA-N -1 1 465.575 4.642 50 0 JJAAMM CCCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000045941160 521412754 /nfs/dbraw/zinc/41/27/54/521412754.db2.gz SBRFDYQFIFVEPN-UHFFFAOYSA-N -1 1 467.616 4.782 50 0 JJAAMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000048326724 522537029 /nfs/dbraw/zinc/53/70/29/522537029.db2.gz ACKMAWHLKXRBTG-QFIPXVFZSA-N -1 1 460.559 4.759 50 0 JJAAMM COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000033292708 523216546 /nfs/dbraw/zinc/21/65/46/523216546.db2.gz OPCBVWNHXQHJMV-UHFFFAOYSA-N -1 1 462.527 4.563 50 0 JJAAMM CCc1c(C)nc(SCc2nc(-c3cc(Br)ccc3OC)oc2C)[n-]c1=O ZINC000035480817 523712131 /nfs/dbraw/zinc/71/21/31/523712131.db2.gz XYKDMKUIPRJFRY-UHFFFAOYSA-N -1 1 450.358 4.668 50 0 JJAAMM COCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CCC1 ZINC000033277502 523890277 /nfs/dbraw/zinc/89/02/77/523890277.db2.gz IMNSKOGCYWMALD-UHFFFAOYSA-N -1 1 470.635 4.719 50 0 JJAAMM CCc1ccc(CNC(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)cc1 ZINC000049421141 523937954 /nfs/dbraw/zinc/93/79/54/523937954.db2.gz RFSQSWCXCZVDTL-NRFANRHFSA-N -1 1 472.614 4.747 50 0 JJAAMM COc1ccc(CCNC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000008746757 523960816 /nfs/dbraw/zinc/96/08/16/523960816.db2.gz JHQDGUZZSVPONS-UHFFFAOYSA-N -1 1 493.412 4.704 50 0 JJAAMM CC[C@H](C)NC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccccc3C)cc2)nc1 ZINC000033138380 523999356 /nfs/dbraw/zinc/99/93/56/523999356.db2.gz ZUOCTQZLGNBYEK-KRWDZBQOSA-N -1 1 455.605 4.870 50 0 JJAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(Sc3c(CC)c(C)nc4ncnn43)cc2)cc1 ZINC000033122307 524017285 /nfs/dbraw/zinc/01/72/85/524017285.db2.gz CJVJKTVUABORMC-UHFFFAOYSA-N -1 1 453.593 4.510 50 0 JJAAMM C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421059 524164965 /nfs/dbraw/zinc/16/49/65/524164965.db2.gz JSQQWZJVZYPCFF-FOIQADDNSA-N -1 1 468.598 4.702 50 0 JJAAMM C[C@H]1Cn2c(nnc2-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)c2)S1 ZINC000012418161 524998350 /nfs/dbraw/zinc/99/83/50/524998350.db2.gz PPBUHIOOWIVLCI-HNNXBMFYSA-N -1 1 460.584 4.811 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(CNC(=O)c4cccc(C)c4)c(C)o3)c2)cc1 ZINC000012218727 525087887 /nfs/dbraw/zinc/08/78/87/525087887.db2.gz ULXIFQQJTSXRFZ-UHFFFAOYSA-N -1 1 491.569 4.698 50 0 JJAAMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)n(-c2ccccc2)n1 ZINC000033366645 525251929 /nfs/dbraw/zinc/25/19/29/525251929.db2.gz LIYUJJKJANLPGF-UHFFFAOYSA-N -1 1 460.559 4.851 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](c3nccn3C)c3ccc(Cl)cc3)c2)cc1 ZINC000016261813 525304112 /nfs/dbraw/zinc/30/41/12/525304112.db2.gz ACSHRGAYZCJYJN-HSZRJFAPSA-N -1 1 495.004 4.702 50 0 JJAAMM O=C(NCCCc1ccccc1)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421087 526276338 /nfs/dbraw/zinc/27/63/38/526276338.db2.gz WNFOGYAUGWDIMU-UHFFFAOYSA-N -1 1 490.604 4.756 50 0 JJAAMM Cc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1NC(=O)C1CC1 ZINC000033171081 526460925 /nfs/dbraw/zinc/46/09/25/526460925.db2.gz CZSFVDGEYPOUHN-ZROIWOOFSA-N -1 1 451.548 4.920 50 0 JJAAMM Cc1nc(-c2ccc(Cl)cc2)sc1-c1cc(=O)[n-]c(SCC(=O)NCc2ccco2)n1 ZINC000033170107 526572078 /nfs/dbraw/zinc/57/20/78/526572078.db2.gz CLHFEVYTVFYHQK-UHFFFAOYSA-N -1 1 472.979 4.524 50 0 JJAAMM Cc1nc(-c2ccccc2)sc1-c1cc(=O)[n-]c(SCC(=O)NCc2cccc(Cl)c2)n1 ZINC000033170072 526601431 /nfs/dbraw/zinc/60/14/31/526601431.db2.gz OQHYCZJQANCWFK-UHFFFAOYSA-N -1 1 483.018 4.931 50 0 JJAAMM O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000016838760 527006580 /nfs/dbraw/zinc/00/65/80/527006580.db2.gz CIRACVHAWXIKSV-UHFFFAOYSA-N -1 1 458.948 4.735 50 0 JJAAMM Cn1c2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(NCc3ccccc3)cc2n(C)c1=O ZINC000008594282 527096992 /nfs/dbraw/zinc/09/69/92/527096992.db2.gz PDFXYEORCBVXNC-UHFFFAOYSA-N -1 1 478.618 4.587 50 0 JJAAMM O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nc(C(F)(F)F)n[n-]1 ZINC000016741965 527138237 /nfs/dbraw/zinc/13/82/37/527138237.db2.gz WDUJYGLJWMGBBA-CQSZACIVSA-N -1 1 481.217 4.987 50 0 JJAAMM O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1n[n-]c(C(F)(F)F)n1 ZINC000016741965 527138242 /nfs/dbraw/zinc/13/82/42/527138242.db2.gz WDUJYGLJWMGBBA-CQSZACIVSA-N -1 1 481.217 4.987 50 0 JJAAMM O=S(=O)([N-]c1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1)c1ccc(F)cc1 ZINC000033122956 527247138 /nfs/dbraw/zinc/24/71/38/527247138.db2.gz BAFOOKXXKQYAEM-UHFFFAOYSA-N -1 1 464.272 4.699 50 0 JJAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000012523938 527253182 /nfs/dbraw/zinc/25/31/82/527253182.db2.gz MTIALTIEDOYGAY-UHFFFAOYSA-N -1 1 457.360 4.595 50 0 JJAAMM Cn1ccnc1[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000016261910 527453410 /nfs/dbraw/zinc/45/34/10/527453410.db2.gz QMYFQDNFKPEHJA-QFIPXVFZSA-N -1 1 498.967 4.533 50 0 JJAAMM O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421133 527624553 /nfs/dbraw/zinc/62/45/53/527624553.db2.gz UWJYLYAFBYNAAD-HXUWFJFHSA-N -1 1 462.619 4.875 50 0 JJAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000000631115 553718043 /nfs/dbraw/zinc/71/80/43/553718043.db2.gz JCBSNJXYTFSTRY-UHFFFAOYSA-N -1 1 464.587 4.591 50 0 JJAAMM COc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c2)c1 ZINC000000631471 553718259 /nfs/dbraw/zinc/71/82/59/553718259.db2.gz LBWMIIYIHSDMEN-UHFFFAOYSA-N -1 1 464.587 4.591 50 0 JJAAMM O=C(c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000000937485 553874716 /nfs/dbraw/zinc/87/47/16/553874716.db2.gz ZEOLGIVHIPXKSZ-UHFFFAOYSA-N -1 1 452.551 4.721 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)cc2)cc1 ZINC000001060562 553902426 /nfs/dbraw/zinc/90/24/26/553902426.db2.gz SCRIOMWHFIHFNC-UHFFFAOYSA-N -1 1 489.553 4.571 50 0 JJAAMM CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1[N-]C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002082033 554027787 /nfs/dbraw/zinc/02/77/87/554027787.db2.gz ODKVGHISWSIBDM-UHFFFAOYSA-N -1 1 478.439 4.663 50 0 JJAAMM COc1ccc(Cn2c3nnc([S-])n3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000002277246 554129302 /nfs/dbraw/zinc/12/93/02/554129302.db2.gz UQOQIMPYTLSRPV-UHFFFAOYSA-N -1 1 458.587 4.662 50 0 JJAAMM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000002843642 554374577 /nfs/dbraw/zinc/37/45/77/554374577.db2.gz ISCPEKXWQGPAIS-UHFFFAOYSA-N -1 1 450.438 4.767 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000006268132 554523591 /nfs/dbraw/zinc/52/35/91/554523591.db2.gz OUQIUXJXJJPEOK-UHFFFAOYSA-N -1 1 473.934 4.579 50 0 JJAAMM CCc1ccc(CNC(=O)c2ccc(N3CCCC3)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000008813732 554696328 /nfs/dbraw/zinc/69/63/28/554696328.db2.gz JDXLMNLYHVZKCF-UHFFFAOYSA-N -1 1 477.630 4.888 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3)o2)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915377 554808929 /nfs/dbraw/zinc/80/89/29/554808929.db2.gz BYUUQPHVFHKFIX-UEXGIBASSA-N -1 1 482.817 4.843 50 0 JJAAMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1OC ZINC000008916562 554810974 /nfs/dbraw/zinc/81/09/74/554810974.db2.gz CICIDWMVTSPBLZ-UHFFFAOYSA-N -1 1 462.527 4.910 50 0 JJAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4C)s3)[C@@H](c3ccco3)C2)cc1 ZINC000008943624 554832580 /nfs/dbraw/zinc/83/25/80/554832580.db2.gz HNOQTWXCHZOVDS-FYYLOGMGSA-N -1 1 488.569 4.775 50 0 JJAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)c2ccccc2O3)cc1 ZINC000008961150 554837702 /nfs/dbraw/zinc/83/77/02/554837702.db2.gz SNGQMASXIDWCRA-UHFFFAOYSA-N -1 1 465.531 4.608 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccs2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009130135 554928998 /nfs/dbraw/zinc/92/89/98/554928998.db2.gz OXGRHXIYYSYZPU-UHFFFAOYSA-N -1 1 493.415 4.665 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000009228285 555001856 /nfs/dbraw/zinc/00/18/56/555001856.db2.gz JAABFDDVKRSAOL-UHFFFAOYSA-N -1 1 486.644 4.676 50 0 JJAAMM Cc1cc(N2CCCC2)ccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009338344 555106316 /nfs/dbraw/zinc/10/63/16/555106316.db2.gz YMHSPJBSWUKEBD-UHFFFAOYSA-N -1 1 467.566 4.716 50 0 JJAAMM COc1cccc2cc(-c3nc(=O)c4c(C)c(C(=O)Nc5cccc(C)c5)sc4[n-]3)c(=O)oc21 ZINC000009405635 555164904 /nfs/dbraw/zinc/16/49/04/555164904.db2.gz GALYYXFNQAUUDT-UHFFFAOYSA-N -1 1 473.510 4.636 50 0 JJAAMM CCC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C[C@H]1c1ccco1 ZINC000009489588 555264624 /nfs/dbraw/zinc/26/46/24/555264624.db2.gz BSMILVYHHLXVDR-FQEVSTJZSA-N -1 1 457.939 4.822 50 0 JJAAMM O=C(Nc1ccc(Cl)cc1)[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000009559387 555354143 /nfs/dbraw/zinc/35/41/43/555354143.db2.gz FRCQCCLDBUIYIH-QGZVFWFLSA-N -1 1 485.812 4.822 50 0 JJAAMM 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CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3c(C)cccc3C)[n-]c2=O)cc1 ZINC000064591979 569622100 /nfs/dbraw/zinc/62/21/00/569622100.db2.gz HVOXUOXLKGVUBD-UHFFFAOYSA-N -1 1 485.631 4.705 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N4CCc5ccccc5C4)CC2)nc3=O)c1 ZINC000064611842 569623045 /nfs/dbraw/zinc/62/30/45/569623045.db2.gz LCOGWXXBEBGTML-UHFFFAOYSA-N -1 1 484.625 4.761 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c(C)n2C)sc1C(=O)N1CCCC1 ZINC000065036379 569653356 /nfs/dbraw/zinc/65/33/56/569653356.db2.gz MHAPDFIMNAVENP-UHFFFAOYSA-N -1 1 493.054 4.764 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c(C)n2C)sc1C(=O)N1CCCC1 ZINC000065036474 569653468 /nfs/dbraw/zinc/65/34/68/569653468.db2.gz ROYZNCKSOFCXGA-UHFFFAOYSA-N -1 1 486.663 4.926 50 0 JJAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)n2)cc1 ZINC000065330970 569675047 /nfs/dbraw/zinc/67/50/47/569675047.db2.gz HFZSFVCBNIQQNK-UHFFFAOYSA-N -1 1 460.437 4.807 50 0 JJAAMM CN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000067245913 569681985 /nfs/dbraw/zinc/68/19/85/569681985.db2.gz ALSWFSFTBKOFGT-FQEVSTJZSA-N -1 1 458.587 4.527 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCCCc4ccccc4)C2)nc3=O)cc1 ZINC000067246297 569682091 /nfs/dbraw/zinc/68/20/91/569682091.db2.gz YHEKICQKWUPBLA-JOCHJYFZSA-N -1 1 486.641 4.925 50 0 JJAAMM Cc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)c(Cl)c1 ZINC000067291535 569685422 /nfs/dbraw/zinc/68/54/22/569685422.db2.gz DXFQHPMNZQNODX-UHFFFAOYSA-N -1 1 472.973 4.572 50 0 JJAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1c(F)cccc1Cl ZINC000035684014 569706791 /nfs/dbraw/zinc/70/67/91/569706791.db2.gz ZUWHGPHGUHUDBG-QFIPXVFZSA-N -1 1 471.941 4.978 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(OC)cc3OC)CC(=O)O4)c2=O)cc1 ZINC000085878135 569716156 /nfs/dbraw/zinc/71/61/56/569716156.db2.gz PVHLYQUJYWJHOX-GOSISDBHSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OC)cc2OC)cc1 ZINC000085878135 569716157 /nfs/dbraw/zinc/71/61/57/569716157.db2.gz PVHLYQUJYWJHOX-GOSISDBHSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1OC ZINC000086057005 569716991 /nfs/dbraw/zinc/71/69/91/569716991.db2.gz ZWSQGLRHRAFSHA-GOSISDBHSA-N -1 1 465.575 4.642 50 0 JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086056973 569717029 /nfs/dbraw/zinc/71/70/29/569717029.db2.gz IPESDTNKZFPWBP-GOSISDBHSA-N -1 1 465.575 4.580 50 0 JJAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)c(Br)c1)CC(=O)N2 ZINC000086057071 569717036 /nfs/dbraw/zinc/71/70/36/569717036.db2.gz ONWIHUPVZZKGRV-AWEZNQCLSA-N -1 1 474.355 4.746 50 0 JJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1OC ZINC000086057237 569717151 /nfs/dbraw/zinc/71/71/51/569717151.db2.gz XMGZATGBJPLOJI-GOSISDBHSA-N -1 1 465.575 4.642 50 0 JJAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095945157 569730836 /nfs/dbraw/zinc/73/08/36/569730836.db2.gz ORJHAWZINPCMLE-HSZRJFAPSA-N -1 1 471.941 4.978 50 0 JJAAMM COc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000100555049 569764484 /nfs/dbraw/zinc/76/44/84/569764484.db2.gz PHPRPPDWYSYAQY-CLJLJLNGSA-N -1 1 496.567 4.865 50 0 JJAAMM CCOc1nc(-c2ccc(F)cc2)n(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)n1 ZINC000037385079 569786011 /nfs/dbraw/zinc/78/60/11/569786011.db2.gz JFTIOTGLAVKKHY-UHFFFAOYSA-N -1 1 452.511 4.581 50 0 JJAAMM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101188039 569786437 /nfs/dbraw/zinc/78/64/37/569786437.db2.gz HHBJMBDMRPNYGU-NXCFDTQHSA-N -1 1 472.541 4.844 50 0 JJAAMM O=C(NCCCc1ccccc1)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101282273 569789078 /nfs/dbraw/zinc/78/90/78/569789078.db2.gz ZBXTXIZIARETRR-UHFFFAOYSA-N -1 1 456.933 4.835 50 0 JJAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)c(OC)c1 ZINC000101494744 569800164 /nfs/dbraw/zinc/80/01/64/569800164.db2.gz ZZJZFUKPIXOZBU-GOSISDBHSA-N -1 1 455.561 4.524 50 0 JJAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c1[O-] ZINC000101766745 569804662 /nfs/dbraw/zinc/80/46/62/569804662.db2.gz DQUNWUXKQNPHJK-FQEVSTJZSA-N -1 1 477.567 4.659 50 0 JJAAMM Cc1cc(C)cc(-n2c([O-])c(C3=Nc4ccccc4S[C@H](c4cccc(O)c4)C3)c(=O)[nH]c2=O)c1 ZINC000101766833 569805048 /nfs/dbraw/zinc/80/50/48/569805048.db2.gz GNDHZTYLQINGJF-QHCPKHFHSA-N -1 1 485.565 4.912 50 0 JJAAMM Cc1nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000101878254 569806762 /nfs/dbraw/zinc/80/67/62/569806762.db2.gz AJHLSTHGWKRHIA-UHFFFAOYSA-N -1 1 483.959 4.817 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3)nn2c1=O ZINC000101878567 569806809 /nfs/dbraw/zinc/80/68/09/569806809.db2.gz KJEIIMXBNKZDOY-UHFFFAOYSA-N -1 1 494.393 4.678 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(OC)c3)C(=O)c3ccc(Cl)cc3)nn2c1=O ZINC000101878612 569806855 /nfs/dbraw/zinc/80/68/55/569806855.db2.gz BQRCDXSFUCHTHH-UHFFFAOYSA-N -1 1 479.968 4.578 50 0 JJAAMM O=C(CSc1nc(=O)c(Cc2ccccc2)c([O-])n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000102540888 569814121 /nfs/dbraw/zinc/81/41/21/569814121.db2.gz HWKLZEZSOXALSR-UHFFFAOYSA-N -1 1 477.973 4.913 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(=O)c4ccc(C)s4)sc3c2)cc1OC ZINC000040152661 569820257 /nfs/dbraw/zinc/82/02/57/569820257.db2.gz UCFMHWKJBRSYEV-UHFFFAOYSA-N -1 1 489.600 4.737 50 0 JJAAMM Cc1cc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc(=O)n2o1 ZINC000041089679 569837376 /nfs/dbraw/zinc/83/73/76/569837376.db2.gz OGTDYHZXDQJTRX-UHFFFAOYSA-N -1 1 469.588 4.812 50 0 JJAAMM Cc1cc2nc(CSc3ccccc3[N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc(=O)n2o1 ZINC000041089674 569837396 /nfs/dbraw/zinc/83/73/96/569837396.db2.gz AUDULVATMOPHQK-UHFFFAOYSA-N -1 1 469.588 4.614 50 0 JJAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCCC4=CCCCC4)C2)nc3=O)c1 ZINC000049421344 569847267 /nfs/dbraw/zinc/84/72/67/569847267.db2.gz GOIHXQMKNKPPMZ-FQEVSTJZSA-N -1 1 492.645 4.883 50 0 JJAAMM Cc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccccc3[N-]S(=O)(=O)c3ccccc3)C2)o1 ZINC000242001149 570053472 /nfs/dbraw/zinc/05/34/72/570053472.db2.gz VDHJNKWARIBIQY-JOCHJYFZSA-N -1 1 451.548 4.723 50 0 JJAAMM O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000001089433 194021712 /nfs/dbraw/zinc/02/17/12/194021712.db2.gz YHSMMYPVDSMIAW-UHFFFAOYSA-N -1 1 471.538 4.992 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000001147393 194048653 /nfs/dbraw/zinc/04/86/53/194048653.db2.gz IZFNVXFAWJRIIJ-UHFFFAOYSA-N -1 1 450.969 4.558 50 0 JJAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000001138349 194043398 /nfs/dbraw/zinc/04/33/98/194043398.db2.gz HZTGRURJXOIPDU-UHFFFAOYSA-N -1 1 457.360 4.595 50 0 JJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)cc1)c1ccccc1 ZINC000001195967 194067055 /nfs/dbraw/zinc/06/70/55/194067055.db2.gz RISLDAARNVZFNF-UHFFFAOYSA-N -1 1 492.578 4.573 50 0 JJAAMM Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000001236623 194078266 /nfs/dbraw/zinc/07/82/66/194078266.db2.gz SFHSWBDQSFZSLG-UHFFFAOYSA-N -1 1 489.391 4.884 50 0 JJAAMM CCOC(=O)CN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000001509757 194126774 /nfs/dbraw/zinc/12/67/74/194126774.db2.gz USWBBVNNTCQJRV-IBGZPJMESA-N -1 1 495.363 4.827 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)OCC(=O)Nc1cccc(Cl)c1C ZINC000003266307 194256728 /nfs/dbraw/zinc/25/67/28/194256728.db2.gz LLYHNYWKBOBJIE-UHFFFAOYSA-N -1 1 490.940 4.692 50 0 JJAAMM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000003336665 194288393 /nfs/dbraw/zinc/28/83/93/194288393.db2.gz DYSBVUSQKDROTP-UHFFFAOYSA-N -1 1 479.341 4.833 50 0 JJAAMM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000003357917 194298690 /nfs/dbraw/zinc/29/86/90/194298690.db2.gz ZZQQMVAXJAGOMR-UHFFFAOYSA-N -1 1 487.585 4.725 50 0 JJAAMM COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc21 ZINC000008438981 194447801 /nfs/dbraw/zinc/44/78/01/194447801.db2.gz UXMWAMCTYUMRIK-UHFFFAOYSA-N -1 1 453.516 4.807 50 0 JJAAMM CC[C@@H](Sc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000009908964 195019895 /nfs/dbraw/zinc/01/98/95/195019895.db2.gz BBVNFYSMCYTLAO-LJQANCHMSA-N -1 1 471.604 4.648 50 0 JJAAMM CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[n-]1)C(=O)Nc1ccc(C)cc1 ZINC000009909031 195019930 /nfs/dbraw/zinc/01/99/30/195019930.db2.gz JKDQXMZCGXJATI-FQEVSTJZSA-N -1 1 485.631 4.956 50 0 JJAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009913564 195022646 /nfs/dbraw/zinc/02/26/46/195022646.db2.gz LJGODUMCYUVRIJ-QHCPKHFHSA-N -1 1 478.570 4.626 50 0 JJAAMM CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000012605099 195050224 /nfs/dbraw/zinc/05/02/24/195050224.db2.gz MNHNPAOFTIWQRW-UHFFFAOYSA-N -1 1 451.264 4.536 50 0 JJAAMM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012631304 195063568 /nfs/dbraw/zinc/06/35/68/195063568.db2.gz JWBNNNOOQDDKMV-UHFFFAOYSA-N -1 1 450.894 4.691 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccccc3)ccc2N2CCCC2)cc1 ZINC000012686754 195086359 /nfs/dbraw/zinc/08/63/59/195086359.db2.gz HUUNRBODGKAGFD-CXUHLZMHSA-N -1 1 477.586 4.748 50 0 JJAAMM C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000012745333 195102091 /nfs/dbraw/zinc/10/20/91/195102091.db2.gz AVPYHMMXRHDVTF-ZDUSSCGKSA-N -1 1 454.876 4.986 50 0 JJAAMM CC(=O)Nc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000012751042 195105772 /nfs/dbraw/zinc/10/57/72/195105772.db2.gz LZTBOOQEXVUOFY-UHFFFAOYSA-N -1 1 492.384 4.934 50 0 JJAAMM CC(C)[C@H](NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1)c1ccccc1 ZINC000012764186 195112446 /nfs/dbraw/zinc/11/24/46/195112446.db2.gz JTILDNTVCBKSKV-VWNXMTODSA-N -1 1 492.645 4.626 50 0 JJAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C=Cc3onc(C)c3NC(=O)C3CC3)cc2)cc1 ZINC000033171059 518385830 /nfs/dbraw/zinc/38/58/30/518385830.db2.gz PVULNRCJLFNOAC-RZNTYIFUSA-N -1 1 465.531 4.505 50 0 JJAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000033254027 519442852 /nfs/dbraw/zinc/44/28/52/519442852.db2.gz ZNKCOHULLYPHCD-UHFFFAOYSA-N -1 1 499.677 4.839 50 0 JJAAMM CC(=O)Nc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)no2)cc1 ZINC000033276497 519708189 /nfs/dbraw/zinc/70/81/89/519708189.db2.gz BXAZZEFACHZGAR-UHFFFAOYSA-N -1 1 468.922 4.816 50 0 JJAAMM CC(=O)Nc1cccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)no2)c1 ZINC000033276496 519735413 /nfs/dbraw/zinc/73/54/13/519735413.db2.gz XREJDCMYVNMYCR-UHFFFAOYSA-N -1 1 468.922 4.816 50 0 JJAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000033254106 519838780 /nfs/dbraw/zinc/83/87/80/519838780.db2.gz ANKXELMLNNZISB-FQEVSTJZSA-N -1 1 485.650 4.621 50 0 JJAAMM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(F)c(C)c4)ccc3n2C)cc1 ZINC000033277018 520546241 /nfs/dbraw/zinc/54/62/41/520546241.db2.gz NZJUJGJWAJHLTL-UHFFFAOYSA-N -1 1 494.592 4.971 50 0 JJAAMM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4cccc(C)c4)ccc3n2C)cc1 ZINC000033277031 520547386 /nfs/dbraw/zinc/54/73/86/520547386.db2.gz VOOLBXPYLKTUIE-UHFFFAOYSA-N -1 1 476.602 4.832 50 0 JJAAMM CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000086057663 520917978 /nfs/dbraw/zinc/91/79/78/520917978.db2.gz MHIGAZWMOJSNPY-KRWDZBQOSA-N -1 1 453.539 4.854 50 0 JJAAMM CC1CCC(NC(=O)C2(c3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)CC2)CC1 ZINC000033274663 520943863 /nfs/dbraw/zinc/94/38/63/520943863.db2.gz UBWPUMLEJIBXSS-UHFFFAOYSA-N -1 1 491.451 4.976 50 0 JJAAMM CC1CCN(C(=O)c2csc3nc(-c4cccc([N-]S(=O)(=O)c5ccc(F)cc5)c4)cn23)CC1 ZINC000033299513 520991336 /nfs/dbraw/zinc/99/13/36/520991336.db2.gz ATHKXAADSWCCOB-UHFFFAOYSA-N -1 1 498.605 4.875 50 0 JJAAMM CCOc1ccc(CNC(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)cc1 ZINC000049421155 520994561 /nfs/dbraw/zinc/99/45/61/520994561.db2.gz SJPBMODSYWYEMQ-FQEVSTJZSA-N -1 1 488.613 4.583 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccoc3)ccc2C)cc1Br ZINC000016226247 521131503 /nfs/dbraw/zinc/13/15/03/521131503.db2.gz FNUSBYILHAJULY-UHFFFAOYSA-N -1 1 479.352 4.802 50 0 JJAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1 ZINC000033274673 521216714 /nfs/dbraw/zinc/21/67/14/521216714.db2.gz QMJIOOZCXSZPPM-UHFFFAOYSA-N -1 1 483.634 4.562 50 0 JJAAMM CCCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000033122361 521337786 /nfs/dbraw/zinc/33/77/86/521337786.db2.gz JNKCAMRJPBNPEV-UHFFFAOYSA-N -1 1 474.011 4.991 50 0 JJAAMM 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Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000032946602 556561591 /nfs/dbraw/zinc/56/15/91/556561591.db2.gz HWMIBHXAGWBAPU-UHFFFAOYSA-N -1 1 493.991 4.800 50 0 JJAAMM COc1cccc(-n2c3nc(SCC(=O)Nc4ccc(F)c(C)c4)[n-]c(=O)c3sc2=S)c1 ZINC000032948312 556563306 /nfs/dbraw/zinc/56/33/06/556563306.db2.gz IIWPSVBWRGESOH-UHFFFAOYSA-N -1 1 488.591 4.692 50 0 JJAAMM C[C@@H]1CCCCN1C(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000032948360 556563769 /nfs/dbraw/zinc/56/37/69/556563769.db2.gz PORWTZODXIRLRJ-LLVKDONJSA-N -1 1 467.041 4.651 50 0 JJAAMM Cc1ccc(CNC(=O)CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000032948358 556563780 /nfs/dbraw/zinc/56/37/80/556563780.db2.gz NARLMVFVBBFBSO-UHFFFAOYSA-N -1 1 489.047 4.875 50 0 JJAAMM Cc1ccc(-n2c3nc(SCC(=O)Nc4cc(F)ccc4C)[n-]c(=O)c3sc2=S)cc1 ZINC000032948666 556564591 /nfs/dbraw/zinc/56/45/91/556564591.db2.gz CDOSITFHCFIAMM-UHFFFAOYSA-N -1 1 472.592 4.992 50 0 JJAAMM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(-c3cc4ccccc4oc3=O)nc(=O)c12 ZINC000008588228 562941318 /nfs/dbraw/zinc/94/13/18/562941318.db2.gz HIGCQFZQRZGTEK-UHFFFAOYSA-N -1 1 457.511 4.936 50 0 JJAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCCC4)nn3)c2)cc1 ZINC000008610075 562947443 /nfs/dbraw/zinc/94/74/43/562947443.db2.gz XMLGMSTVZJHLPN-UHFFFAOYSA-N -1 1 450.564 4.527 50 0 JJAAMM C[C@H]1CCC[C@H](C)N1c1nnc([N-]C(=O)c2cc(-c3ccc(Br)cc3)on2)s1 ZINC000008671757 562949630 /nfs/dbraw/zinc/94/96/30/562949630.db2.gz FFQOKNAKJRGJPE-RYUDHWBXSA-N -1 1 462.373 4.975 50 0 aggregator JJAAMM O=S(=O)([N-]c1cc2c(c3ccccc13)O[C@]1(N3CCOCC3)CCCC[C@H]21)c1ccccc1 ZINC000019774766 563015172 /nfs/dbraw/zinc/01/51/72/563015172.db2.gz HFLXQNRSNZOBAL-ZEQKJWHPSA-N -1 1 464.587 4.719 50 0 JJAAMM O=S(=O)([N-]c1cc2c(c3ccccc13)O[C@@]1(N3CCOCC3)CCCC[C@@H]21)c1ccccc1 ZINC000019774768 563015259 /nfs/dbraw/zinc/01/52/59/563015259.db2.gz HFLXQNRSNZOBAL-OZXSUGGESA-N -1 1 464.587 4.719 50 0 JJAAMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2Br)cc1 ZINC000035337462 563120029 /nfs/dbraw/zinc/12/00/29/563120029.db2.gz SKGKEBUDJVJJDK-UHFFFAOYSA-N -1 1 489.347 4.509 50 0 JJAAMM COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCCCCCC2)c(C(=O)[O-])c1 ZINC000032962183 569602997 /nfs/dbraw/zinc/60/29/97/569602997.db2.gz LSBANBJDJOUUAP-UHFFFAOYSA-N -1 1 452.960 4.618 50 0 JJAAMM C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000064611625 569622983 /nfs/dbraw/zinc/62/29/83/569622983.db2.gz FRJHBITVPOSXPO-YVWKXTFCSA-N -1 1 450.608 4.563 50 0 JJAAMM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000064802082 569631807 /nfs/dbraw/zinc/63/18/07/569631807.db2.gz UXCFPUFHAJWFFM-UHFFFAOYSA-N -1 1 451.474 4.780 50 0 JJAAMM O=C1N(Cc2ccc(F)c(F)c2)CCCN1c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000034669509 569640841 /nfs/dbraw/zinc/64/08/41/569640841.db2.gz XVFPTZRFNOSXJT-UHFFFAOYSA-N -1 1 457.502 4.598 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035949 569652890 /nfs/dbraw/zinc/65/28/90/569652890.db2.gz IXTOZNJXDGMLBR-UHFFFAOYSA-N -1 1 486.663 4.809 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(C)n2C)sc1C(=O)N1CCC(C)CC1 ZINC000065036247 569653156 /nfs/dbraw/zinc/65/31/56/569653156.db2.gz YXIOXMHVFPZCKI-UHFFFAOYSA-N -1 1 486.663 4.747 50 0 JJAAMM CCCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000065059785 569655048 /nfs/dbraw/zinc/65/50/48/569655048.db2.gz VLWQNBFRIWJOPS-UHFFFAOYSA-N -1 1 453.564 4.903 50 0 JJAAMM Cc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)cc3)nc3ccccc3n12 ZINC000065096445 569660863 /nfs/dbraw/zinc/66/08/63/569660863.db2.gz HVSBMGMDXMXBOT-UHFFFAOYSA-N -1 1 463.494 4.627 50 0 JJAAMM CCc1nnc2c(Oc3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)nc3ccccc3n12 ZINC000065096500 569661033 /nfs/dbraw/zinc/66/10/33/569661033.db2.gz FCVUVWWJLNYETC-UHFFFAOYSA-N -1 1 463.494 4.572 50 0 JJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000035684033 569706803 /nfs/dbraw/zinc/70/68/03/569706803.db2.gz GZWJKSTWTMQLTE-XMMPIXPASA-N -1 1 463.559 4.584 50 0 JJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1F ZINC000035684013 569706812 /nfs/dbraw/zinc/70/68/12/569706812.db2.gz GUQVKDYNXRXCPO-HSZRJFAPSA-N -1 1 451.523 4.714 50 0 JJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000035684025 569706833 /nfs/dbraw/zinc/70/68/33/569706833.db2.gz JSVLHSHPJZMNQL-HSZRJFAPSA-N -1 1 451.523 4.714 50 0 JJAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)c(OC)c2c1OCCO2 ZINC000085412390 569710459 /nfs/dbraw/zinc/71/04/59/569710459.db2.gz YMUPFMZHQAGFFV-OAQYLSRUSA-N -1 1 459.568 4.746 50 0 JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086057210 569717095 /nfs/dbraw/zinc/71/70/95/569717095.db2.gz AVBIMSMUVIKENS-LJQANCHMSA-N -1 1 479.602 4.888 50 0 JJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1OC ZINC000086057121 569717153 /nfs/dbraw/zinc/71/71/53/569717153.db2.gz DGRIMDZOQWQXRT-GOSISDBHSA-N -1 1 465.575 4.642 50 0 JJAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc(F)c(Br)c2)CC(=O)N3)cc1 ZINC000086057301 569717191 /nfs/dbraw/zinc/71/71/91/569717191.db2.gz ROPOJSOJFUSNQP-CQSZACIVSA-N -1 1 474.355 4.746 50 0 JJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1 ZINC000086057334 569717197 /nfs/dbraw/zinc/71/71/97/569717197.db2.gz LAOAIBARDGVBPB-QGZVFWFLSA-N -1 1 455.967 4.979 50 0 JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057430 569717309 /nfs/dbraw/zinc/71/73/09/569717309.db2.gz NPALNDJQLDHSBS-MRXNPFEDSA-N -1 1 485.993 4.986 50 0 JJAAMM O=C1C[C@H](c2ccc(F)c(Br)c2)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1 ZINC000086057813 569717566 /nfs/dbraw/zinc/71/75/66/569717566.db2.gz GWFMJEYPBRWVIG-CYBMUJFWSA-N -1 1 478.318 4.577 50 0 JJAAMM CC[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN(C2CCCCC2)C1=O ZINC000035886942 569720700 /nfs/dbraw/zinc/72/07/00/569720700.db2.gz QXBHEQKRFIDUEO-JOCHJYFZSA-N -1 1 460.571 4.767 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN([C@@H](C)c2ccc(F)cc2)C(=O)CO3)cc1F ZINC000035910067 569725440 /nfs/dbraw/zinc/72/54/40/569725440.db2.gz LAIKITORIGKOEM-INIZCTEOSA-N -1 1 472.513 4.556 50 0 JJAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(Cl)c(F)c1 ZINC000095945156 569730844 /nfs/dbraw/zinc/73/08/44/569730844.db2.gz ORJHAWZINPCMLE-QHCPKHFHSA-N -1 1 471.941 4.978 50 0 JJAAMM O=C1C[C@H](c2cccnc2N2CCCCC2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115174 569734241 /nfs/dbraw/zinc/73/42/41/569734241.db2.gz IJIXIINKRSNEGF-LJQANCHMSA-N -1 1 484.508 4.698 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1cccnc1N1CCCCC1)CC(=O)O2 ZINC000096115174 569734243 /nfs/dbraw/zinc/73/42/43/569734243.db2.gz IJIXIINKRSNEGF-LJQANCHMSA-N -1 1 484.508 4.698 50 0 biogenic JJAAMM O=C1C[C@@H](c2ccc3ncccc3c2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115982 569734876 /nfs/dbraw/zinc/73/48/76/569734876.db2.gz LVFQLNWORCRCHZ-SFHVURJKSA-N -1 1 451.434 4.860 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000096115982 569734877 /nfs/dbraw/zinc/73/48/77/569734877.db2.gz LVFQLNWORCRCHZ-SFHVURJKSA-N -1 1 451.434 4.860 50 0 biogenic JJAAMM COC(=O)C[C@@H]1c2c(nc3sccn32)Oc2cc(=O)c3c([O-])c(-c4ccc(OC)cc4)coc-3c21 ZINC000096222092 569739293 /nfs/dbraw/zinc/73/92/93/569739293.db2.gz ZOYDYUPXFAGNER-AWEZNQCLSA-N -1 1 490.493 4.684 50 0 biogenic JJAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(O)cc1 ZINC000100027328 569751485 /nfs/dbraw/zinc/75/14/85/569751485.db2.gz YPKBQTABWAORBX-UHFFFAOYSA-N -1 1 452.514 4.972 50 0 JJAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc2c(c1)OCO2 ZINC000100566711 569764868 /nfs/dbraw/zinc/76/48/68/569764868.db2.gz MABQXQGSMODPLB-UHFFFAOYSA-N -1 1 480.524 4.995 50 0 JJAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@@H](c3sccc3C)C2)c1[O-] ZINC000101495403 569800353 /nfs/dbraw/zinc/80/03/53/569800353.db2.gz KUAAUCQNGAZTNJ-HXUWFJFHSA-N -1 1 491.594 4.968 50 0 JJAAMM O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2ccc(O)cc2)C1 ZINC000101766725 569804845 /nfs/dbraw/zinc/80/48/45/569804845.db2.gz OSHDZICUJCRORW-OAQYLSRUSA-N -1 1 491.956 4.948 50 0 JJAAMM C[C@@H](CCc1ccccc1)NC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828590 569805504 /nfs/dbraw/zinc/80/55/04/569805504.db2.gz QCUHPJBGWVLPHC-KRWDZBQOSA-N -1 1 454.505 4.709 50 0 JJAAMM COc1ccc([C@H](C)NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1OC ZINC000101828208 569805570 /nfs/dbraw/zinc/80/55/70/569805570.db2.gz LOQRKFZVJVLXMV-KRWDZBQOSA-N -1 1 482.540 4.635 50 0 JJAAMM Cc1ccccc1C(=O)N(Cc1cccs1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101861276 569806616 /nfs/dbraw/zinc/80/66/16/569806616.db2.gz ZJLKVDDEZYBAJO-UHFFFAOYSA-N -1 1 469.570 4.534 50 0 JJAAMM Cc1nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)CC(C)C)nn2c(=O)c1Cc1ccccc1 ZINC000101878270 569806715 /nfs/dbraw/zinc/80/67/15/569806715.db2.gz GDKJWSHRGIEMHF-UHFFFAOYSA-N -1 1 463.969 4.550 50 0 JJAAMM O=C(Nn1c(=O)c2ccccc2[n-]c1=S)c1ccc(COc2cccc3ccccc32)cc1 ZINC000102445095 569813192 /nfs/dbraw/zinc/81/31/92/569813192.db2.gz AZGYCYWVRFWPTJ-UHFFFAOYSA-N -1 1 453.523 4.801 50 0 JJAAMM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102740817 569819165 /nfs/dbraw/zinc/81/91/65/569819165.db2.gz OVQNCXQGSUJJPI-ZONZVBGPSA-N -1 1 490.515 4.957 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCc4ccc(F)cc4F)C2)nc3=O)cc1 ZINC000049421286 569847135 /nfs/dbraw/zinc/84/71/35/569847135.db2.gz CQFJOZQNCOZXEM-SFHVURJKSA-N -1 1 494.567 4.771 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCCc4ccccc4)CC2)nc3=O)c1 ZINC000049421391 569847164 /nfs/dbraw/zinc/84/71/64/569847164.db2.gz LBSKFILKLCTWSL-UHFFFAOYSA-N -1 1 472.614 4.535 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCc4ccccc4F)CC2)nc3=O)c1 ZINC000049421378 569847236 /nfs/dbraw/zinc/84/72/36/569847236.db2.gz NJZGTEUEOFXNIC-UHFFFAOYSA-N -1 1 476.577 4.632 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NC4CCC(C)CC4)CC2)nc3=O)c1 ZINC000049421372 569847321 /nfs/dbraw/zinc/84/73/21/569847321.db2.gz NMXUKHSPZKRQQI-UHFFFAOYSA-N -1 1 464.635 4.871 50 0 JJAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)NC3CCCCC3)C1)nc2=O ZINC000049421421 569847416 /nfs/dbraw/zinc/84/74/16/569847416.db2.gz PZAMGRNYMLTXGS-KRWDZBQOSA-N -1 1 450.608 4.625 50 0 JJAAMM COc1ccc(C2=C([O-])C(=C(O)c3ccccc3)N(c3cc(C(C)(C)C)on3)C2=O)cc1OC ZINC000135715310 569864493 /nfs/dbraw/zinc/86/44/93/569864493.db2.gz DQLOWADCFXHWDU-JOCHJYFZSA-N -1 1 462.502 4.557 50 0 JJAAMM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000137818343 569865273 /nfs/dbraw/zinc/86/52/73/569865273.db2.gz OVQNCXQGSUJJPI-OYUWMTPXSA-N -1 1 490.515 4.957 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169689176 569871365 /nfs/dbraw/zinc/87/13/65/569871365.db2.gz AMGPDIQQDTWGEK-UEXGIBASSA-N -1 1 464.827 4.704 50 0 JJAAMM O=C(N[C@H]1CCc2ccccc21)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000169763997 569872390 /nfs/dbraw/zinc/87/23/90/569872390.db2.gz QEGRXEFPECWKNB-UGKGYDQZSA-N -1 1 470.598 4.672 50 0 JJAAMM CCOc1cccc([C@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(C)=O)c1 ZINC000170612598 569872848 /nfs/dbraw/zinc/87/28/48/569872848.db2.gz XYDGHYUXQLGLNS-RUZDIDTESA-N -1 1 463.559 4.584 50 0 JJAAMM O=C(c1ccc(Br)cc1)[C@H]1[C@@H]2C(=O)C(c3ccccc3)=C([O-])[C@H]2[C@@H]2c3ccccc3C=NN12 ZINC000247797954 570069474 /nfs/dbraw/zinc/06/94/74/570069474.db2.gz DKCIDPGDSNGZMM-ZSXJVMONSA-N -1 1 499.364 4.573 50 0 JJAAMM Cc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3[N-]S(=O)(=O)c3ccccc3)C2)o1 ZINC000252495067 570082117 /nfs/dbraw/zinc/08/21/17/570082117.db2.gz OMBLUUHAOWVGBA-QFIPXVFZSA-N -1 1 475.526 4.973 50 0 JJAAMM Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000001076688 194018540 /nfs/dbraw/zinc/01/85/40/194018540.db2.gz YUNYENNGQRCTCQ-UHFFFAOYSA-N -1 1 499.592 4.978 50 0 JJAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(F)cc1 ZINC000001138503 194043376 /nfs/dbraw/zinc/04/33/76/194043376.db2.gz FIAOXDRLPWABFD-UHFFFAOYSA-N -1 1 475.350 4.734 50 0 JJAAMM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)c1 ZINC000001166638 194057980 /nfs/dbraw/zinc/05/79/80/194057980.db2.gz ZDHYVBMUVFDIPR-UHFFFAOYSA-N -1 1 495.420 4.668 50 0 JJAAMM CCCCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2cc(Cl)ccc2OC)c(=O)[n-]1 ZINC000003034155 194213918 /nfs/dbraw/zinc/21/39/18/194213918.db2.gz KHCJYKLEXCPRNF-UHFFFAOYSA-N -1 1 499.083 4.907 50 0 JJAAMM O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000003226192 194244295 /nfs/dbraw/zinc/24/42/95/194244295.db2.gz UPMRFMIOCWXFSS-UHFFFAOYSA-N -1 1 482.858 4.853 50 0 JJAAMM CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000003273465 194259201 /nfs/dbraw/zinc/25/92/01/194259201.db2.gz FORQOBBKTHTTFR-SFHVURJKSA-N -1 1 466.559 4.542 50 0 JJAAMM 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Cc1cc(C)c(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)c(C)c1 ZINC000021810382 524290605 /nfs/dbraw/zinc/29/06/05/524290605.db2.gz FJSWJPKXAVMNSW-UHFFFAOYSA-N -1 1 466.582 4.536 50 0 JJAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3cccs3)cc2)c1 ZINC000006155935 524437701 /nfs/dbraw/zinc/43/77/01/524437701.db2.gz JDJBUXOUNKJAEW-JXMROGBWSA-N -1 1 471.629 4.692 50 0 JJAAMM Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000002912086 524560155 /nfs/dbraw/zinc/56/01/55/524560155.db2.gz PWDVXPGJVWRFRX-UHFFFAOYSA-N -1 1 463.603 4.634 50 0 JJAAMM Cc1ccc(NC(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[n-]n32)cc1C ZINC000008619485 525076428 /nfs/dbraw/zinc/07/64/28/525076428.db2.gz SFHPFPPJSQCQIY-UHFFFAOYSA-N -1 1 461.591 4.730 50 0 JJAAMM COc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2cc(C)c(C)cc2C)n(C)c(=O)n3C)cc1 ZINC000045941187 525112773 /nfs/dbraw/zinc/11/27/73/525112773.db2.gz CZMYMGGXFDEUCS-UHFFFAOYSA-N -1 1 497.642 4.763 50 0 JJAAMM C[C@H](NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)c1ccc(F)cc1 ZINC000049421184 525173117 /nfs/dbraw/zinc/17/31/17/525173117.db2.gz JGCZVMXGTTUOOV-LPHOPBHVSA-N -1 1 476.577 4.885 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2)cc1C ZINC000012508399 525298060 /nfs/dbraw/zinc/29/80/60/525298060.db2.gz BOLSCGYKXYHGBT-UHFFFAOYSA-N -1 1 464.572 4.875 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccccc2Cl)n(C)c(=O)n3C)cc1 ZINC000045941095 525595097 /nfs/dbraw/zinc/59/50/97/525595097.db2.gz YZKYAWRLSZLMTL-UHFFFAOYSA-N -1 1 474.007 4.791 50 0 JJAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(OC)c(OC)c4)cc3)sc2c1 ZINC000033169198 525655535 /nfs/dbraw/zinc/65/55/35/525655535.db2.gz CWNMUOZRTIEQSB-UHFFFAOYSA-N -1 1 456.545 4.790 50 0 JJAAMM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000006140420 525895083 /nfs/dbraw/zinc/89/50/83/525895083.db2.gz CNQXPRWDDZESNC-CYBMUJFWSA-N -1 1 494.903 4.603 50 0 JJAAMM 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Cc1cc(NC(=O)c2c(F)cccc2Cl)n(-c2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1 ZINC000011695422 555802202 /nfs/dbraw/zinc/80/22/02/555802202.db2.gz FKBCGXDPYBWXNN-UHFFFAOYSA-N -1 1 498.305 4.713 50 0 JJAAMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014504760 555815549 /nfs/dbraw/zinc/81/55/49/555815549.db2.gz HDXPSNYXSNDWLJ-UHFFFAOYSA-N -1 1 486.626 4.897 50 0 JJAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000011854493 555836413 /nfs/dbraw/zinc/83/64/13/555836413.db2.gz HDIMFXILOROZFI-UHFFFAOYSA-N -1 1 467.554 4.841 50 0 JJAAMM COc1ccccc1C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000011855411 555837060 /nfs/dbraw/zinc/83/70/60/555837060.db2.gz WDFAAUJQSREDBN-UHFFFAOYSA-N -1 1 497.580 4.844 50 0 JJAAMM CC[C@@H](C(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1 ZINC000011855984 555837447 /nfs/dbraw/zinc/83/74/47/555837447.db2.gz QSWZZYKADGUWSX-QGZVFWFLSA-N -1 1 459.575 4.695 50 0 JJAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000012006547 555883850 /nfs/dbraw/zinc/88/38/50/555883850.db2.gz MBXMYJGPIFNELE-UHFFFAOYSA-N -1 1 451.486 4.785 50 0 JJAAMM CCOc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000012009291 555884281 /nfs/dbraw/zinc/88/42/81/555884281.db2.gz XWWRUMDVQRSJBF-UHFFFAOYSA-N -1 1 481.512 4.875 50 0 JJAAMM O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 ZINC000012112481 555908676 /nfs/dbraw/zinc/90/86/76/555908676.db2.gz PZNPTUSRCXUWAR-UHFFFAOYSA-N -1 1 467.547 4.779 50 0 JJAAMM O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCCC2 ZINC000012130652 555911698 /nfs/dbraw/zinc/91/16/98/555911698.db2.gz KAMYIWJUDZWFLH-UHFFFAOYSA-N -1 1 479.584 4.873 50 0 JJAAMM CCOC(=O)C1=C(NC(=O)CSc2nc3ccccc3s2)[N-]c2ccccc2N=C1CC ZINC000012546775 556023174 /nfs/dbraw/zinc/02/31/74/556023174.db2.gz QHFAFHRLSGPRMO-UHFFFAOYSA-N -1 1 466.588 4.888 50 0 JJAAMM COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)cc1F ZINC000012548456 556026548 /nfs/dbraw/zinc/02/65/48/556026548.db2.gz KVKSVHLEDBYRJX-UHFFFAOYSA-N -1 1 493.354 4.579 50 0 JJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccccc1Cl ZINC000012552636 556036012 /nfs/dbraw/zinc/03/60/12/556036012.db2.gz XYUYRVYWUAQPDV-UHFFFAOYSA-N -1 1 458.923 4.554 50 0 JJAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000015870223 556049712 /nfs/dbraw/zinc/04/97/12/556049712.db2.gz SOAXTGJRXHGDQQ-UHFFFAOYSA-N -1 1 472.592 4.574 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000012560713 556053049 /nfs/dbraw/zinc/05/30/49/556053049.db2.gz LBZLKRLJIQIZJK-RUZDIDTESA-N -1 1 480.586 4.694 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4[C@@H]3C)c2)cc1 ZINC000012584114 556081549 /nfs/dbraw/zinc/08/15/49/556081549.db2.gz LOVMLSOVYQGXNJ-INIZCTEOSA-N -1 1 456.589 4.707 50 0 JJAAMM COC(=O)c1ccc(F)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)c1 ZINC000024757391 556150695 /nfs/dbraw/zinc/15/06/95/556150695.db2.gz SJYFXUFHLDQVMF-UHFFFAOYSA-N -1 1 497.331 4.972 50 0 JJAAMM Cc1ccc(NC(=O)c2ccc(Br)o2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000024981748 556168340 /nfs/dbraw/zinc/16/83/40/556168340.db2.gz QMIHLFHHZSSWRA-UHFFFAOYSA-N -1 1 453.289 4.543 50 0 JJAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000012980695 556173856 /nfs/dbraw/zinc/17/38/56/556173856.db2.gz GCMRGNKQAGYAMY-UHFFFAOYSA-N -1 1 451.379 4.972 50 0 JJAAMM COc1cccc(-c2noc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[n-]3)n2)c1OC ZINC000016960768 556191562 /nfs/dbraw/zinc/19/15/62/556191562.db2.gz XHMMLKYKSHRYPX-UHFFFAOYSA-N -1 1 456.911 4.862 50 0 JJAAMM Cc1nn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccccc4Cl)cc3)nn2)c(C)c1C ZINC000013010109 556202345 /nfs/dbraw/zinc/20/23/45/556202345.db2.gz KVJCHRKUFJCIPI-UHFFFAOYSA-N -1 1 468.970 4.785 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1C ZINC000025515130 556218785 /nfs/dbraw/zinc/21/87/85/556218785.db2.gz FHWMDRXEJVMFCX-UHFFFAOYSA-N -1 1 498.048 4.716 50 0 JJAAMM Cc1ccc2c(c1)-c1nc(SCC(=O)NCCc3ccccc3)[n-]c(=O)c1C1(CCCCC1)C2 ZINC000017124780 556220580 /nfs/dbraw/zinc/22/05/80/556220580.db2.gz PATUBVYSYRBBNF-UHFFFAOYSA-N -1 1 473.642 4.954 50 0 JJAAMM O=C(c1cccs1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000017169930 556231020 /nfs/dbraw/zinc/23/10/20/556231020.db2.gz XUESDFYHXBCXQM-UHFFFAOYSA-N -1 1 477.405 4.904 50 0 JJAAMM COc1cccc(NC(=O)CSc2ccccc2C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000013039102 556239191 /nfs/dbraw/zinc/23/91/91/556239191.db2.gz ZBMDQPNLVDRGOM-UHFFFAOYSA-N -1 1 491.521 4.595 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(F)ccc3C)[n-]c2=O)cc1 ZINC000017271378 556249820 /nfs/dbraw/zinc/24/98/20/556249820.db2.gz HXTGITDXUKOVMF-UHFFFAOYSA-N -1 1 489.594 4.536 50 0 JJAAMM CCOC(=O)C1=C(NC(=O)COc2ccc(Cl)cc2Cl)[N-]c2ccccc2N=C1CC ZINC000013060614 556256302 /nfs/dbraw/zinc/25/63/02/556256302.db2.gz YYJPEDCFVSZWAI-UHFFFAOYSA-N -1 1 462.333 4.871 50 0 JJAAMM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)c1cccc2ccccc21 ZINC000017841006 556268752 /nfs/dbraw/zinc/26/87/52/556268752.db2.gz LFDHOBDBJFMEFX-KRWDZBQOSA-N -1 1 474.538 4.860 50 0 JJAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 ZINC000017917207 556271417 /nfs/dbraw/zinc/27/14/17/556271417.db2.gz GEPUFULGXKMSNQ-UHFFFAOYSA-N -1 1 451.379 4.972 50 0 JJAAMM COc1ccc(Br)c(C(=O)[N-]n2c(=O)c3ccccc3nc2C2CCCCC2)c1 ZINC000027528412 556290236 /nfs/dbraw/zinc/29/02/36/556290236.db2.gz OGHHUHRJFZIQNR-UHFFFAOYSA-N -1 1 456.340 4.599 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2SC2CCCCC2)n(C)c(=O)n3C)cc1Cl ZINC000028049234 556314278 /nfs/dbraw/zinc/31/42/78/556314278.db2.gz IUHPXNLIELQZNG-UHFFFAOYSA-N -1 1 496.054 4.765 50 0 JJAAMM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000032810031 556500112 /nfs/dbraw/zinc/50/01/12/556500112.db2.gz AKYYKWZMGQCTNZ-UHFFFAOYSA-N -1 1 452.923 4.783 50 0 JJAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1)N1CCCCCC1 ZINC000032948356 556563738 /nfs/dbraw/zinc/56/37/38/556563738.db2.gz CURYKEWLDNNCEH-UHFFFAOYSA-N -1 1 467.041 4.653 50 0 JJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000008595827 562944248 /nfs/dbraw/zinc/94/42/48/562944248.db2.gz IPKDRWNSVXFAHM-XMMPIXPASA-N -1 1 457.486 4.995 50 0 JJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595792 562944266 /nfs/dbraw/zinc/94/42/66/562944266.db2.gz GEOPKSGLHGUJHX-XMMPIXPASA-N -1 1 473.485 4.613 50 0 JJAAMM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC3=CCCCC3)c(=O)c2c1 ZINC000006296506 569588760 /nfs/dbraw/zinc/58/87/60/569588760.db2.gz UQOOGYSUAHFJNE-UHFFFAOYSA-N -1 1 493.629 4.672 50 0 JJAAMM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCC3=CCCCC3)c(=O)c2c1 ZINC000006296506 569588761 /nfs/dbraw/zinc/58/87/61/569588761.db2.gz UQOOGYSUAHFJNE-UHFFFAOYSA-N -1 1 493.629 4.672 50 0 JJAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000033007680 569615583 /nfs/dbraw/zinc/61/55/83/569615583.db2.gz QUDFUDCLZDSOLL-UHFFFAOYSA-N -1 1 451.529 4.552 50 0 JJAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000033007817 569615603 /nfs/dbraw/zinc/61/56/03/569615603.db2.gz CWIISMSJHJDNBG-UHFFFAOYSA-N -1 1 480.571 4.616 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3cccc(C)c3n2)c(C)c1 ZINC000033026296 569621137 /nfs/dbraw/zinc/62/11/37/569621137.db2.gz SHZWAELWLFEQRQ-UHFFFAOYSA-N -1 1 465.600 4.713 50 0 JJAAMM Cc1ccn2c(=O)cc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(C)c(C)c3)nc2c1 ZINC000033026253 569621160 /nfs/dbraw/zinc/62/11/60/569621160.db2.gz BIMBIPYTFWITEL-UHFFFAOYSA-N -1 1 465.600 4.713 50 0 JJAAMM COc1ccccc1N1CCN(c2nc(=O)c3scc(-c4cccc(Cl)c4)c3[n-]2)CC1 ZINC000064611595 569622951 /nfs/dbraw/zinc/62/29/51/569622951.db2.gz OFDUNKMEZGAOKV-UHFFFAOYSA-N -1 1 452.967 4.640 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035962 569652886 /nfs/dbraw/zinc/65/28/86/569652886.db2.gz MVQQBIZAKVNOKF-UHFFFAOYSA-N -1 1 486.663 4.809 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CCC3)c2)c(C)c1 ZINC000065059831 569654910 /nfs/dbraw/zinc/65/49/10/569654910.db2.gz IUUNIDXJELEJEO-UHFFFAOYSA-N -1 1 451.548 4.574 50 0 JJAAMM CCCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000065059781 569654922 /nfs/dbraw/zinc/65/49/22/569654922.db2.gz XCRWCOLDGYEPGW-UHFFFAOYSA-N -1 1 457.527 4.734 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CCCC3)c2)cc1 ZINC000065059758 569655008 /nfs/dbraw/zinc/65/50/08/569655008.db2.gz YWRPMBDKCOCHRL-UHFFFAOYSA-N -1 1 451.548 4.656 50 0 JJAAMM CC[C@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000065059747 569655024 /nfs/dbraw/zinc/65/50/24/569655024.db2.gz UCWRLIWBRYRDJE-SFHVURJKSA-N -1 1 453.564 4.820 50 0 JJAAMM COCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000065059881 569655194 /nfs/dbraw/zinc/65/51/94/569655194.db2.gz UYVVWJQBOVDNCZ-UHFFFAOYSA-N -1 1 497.617 4.640 50 0 JJAAMM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1c(Cl)cc(OC)cc1OC ZINC000065060320 569655278 /nfs/dbraw/zinc/65/52/78/569655278.db2.gz ITHKZLUSHQIUGR-UHFFFAOYSA-N -1 1 468.984 4.989 50 0 JJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000065116363 569666438 /nfs/dbraw/zinc/66/64/38/569666438.db2.gz DVKWDNCKBOQWCV-UHFFFAOYSA-N -1 1 467.469 4.990 50 0 JJAAMM Cc1ccc(-c2noc(C(=O)N3CCCCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000065319104 569673715 /nfs/dbraw/zinc/67/37/15/569673715.db2.gz GRZOZXDHWIFYFF-UHFFFAOYSA-N -1 1 482.606 4.985 50 0 JJAAMM COc1cc(-c2noc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[n-]3)n2)cc(OC)c1OC ZINC000065330951 569674984 /nfs/dbraw/zinc/67/49/84/569674984.db2.gz HCDBATOMWLFYRG-UHFFFAOYSA-N -1 1 486.937 4.871 50 0 JJAAMM CCCCc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)cc1 ZINC000067291415 569685488 /nfs/dbraw/zinc/68/54/88/569685488.db2.gz YLFSWDGHPGIUET-UHFFFAOYSA-N -1 1 492.645 4.823 50 0 JJAAMM Cc1ccccc1C1=CCN(c2ncc(NS(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1 ZINC000035397801 569688446 /nfs/dbraw/zinc/68/84/46/569688446.db2.gz WACMGWKOKNYWHZ-UHFFFAOYSA-N -1 1 483.977 4.836 50 0 JJAAMM CCOc1ccc([C@@H]2CCCN2C(=O)CCn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000072242451 569701078 /nfs/dbraw/zinc/70/10/78/569701078.db2.gz GJVPOZZFVUKEOF-NRFANRHFSA-N -1 1 452.580 4.769 50 0 JJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000035684032 569706782 /nfs/dbraw/zinc/70/67/82/569706782.db2.gz GZWJKSTWTMQLTE-DEOSSOPVSA-N -1 1 463.559 4.584 50 0 JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2coc3ccccc3c2=O)cc1 ZINC000085875221 569715668 /nfs/dbraw/zinc/71/56/68/569715668.db2.gz GCKWCFLASNUINY-QGZVFWFLSA-N -1 1 482.444 4.722 50 0 biogenic JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000085875580 569715926 /nfs/dbraw/zinc/71/59/26/569715926.db2.gz LZYUOQSKGUSALV-QGZVFWFLSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc5ccc(C)cc5[nH]c3=O)CC(=O)O4)c2=O)cc1 ZINC000085878583 569716318 /nfs/dbraw/zinc/71/63/18/569716318.db2.gz ZKJNTAGXSYMSCM-GOSISDBHSA-N -1 1 495.487 4.765 50 0 biogenic JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000085878583 569716319 /nfs/dbraw/zinc/71/63/19/569716319.db2.gz ZKJNTAGXSYMSCM-GOSISDBHSA-N -1 1 495.487 4.765 50 0 biogenic JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086057087 569717045 /nfs/dbraw/zinc/71/70/45/569717045.db2.gz QLNOJXSZBHDZKM-LJQANCHMSA-N -1 1 479.602 4.888 50 0 JJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1OC ZINC000086057003 569717049 /nfs/dbraw/zinc/71/70/49/569717049.db2.gz ZWSQGLRHRAFSHA-SFHVURJKSA-N -1 1 465.575 4.642 50 0 JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057314 569717111 /nfs/dbraw/zinc/71/71/11/569717111.db2.gz DJKVUSHWHUTDHQ-GOSISDBHSA-N -1 1 465.575 4.641 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086057215 569717169 /nfs/dbraw/zinc/71/71/69/569717169.db2.gz AVBIMSMUVIKENS-IBGZPJMESA-N -1 1 479.602 4.888 50 0 JJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1OC ZINC000086057234 569717173 /nfs/dbraw/zinc/71/71/73/569717173.db2.gz XMGZATGBJPLOJI-SFHVURJKSA-N -1 1 465.575 4.642 50 0 JJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)cc1 ZINC000086057441 569717315 /nfs/dbraw/zinc/71/73/15/569717315.db2.gz LYVDQPLGUZTICH-GOSISDBHSA-N -1 1 455.967 4.979 50 0 JJAAMM CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1OCC ZINC000086057406 569717327 /nfs/dbraw/zinc/71/73/27/569717327.db2.gz ZHUXEMDKNPSYTA-INIZCTEOSA-N -1 1 485.993 4.987 50 0 JJAAMM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000086057391 569717359 /nfs/dbraw/zinc/71/73/59/569717359.db2.gz ICIRICYJFKGQFS-MRXNPFEDSA-N -1 1 485.993 4.987 50 0 JJAAMM CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000086057551 569717425 /nfs/dbraw/zinc/71/74/25/569717425.db2.gz OEPJYQBUBWZWSK-QGZVFWFLSA-N -1 1 455.967 4.979 50 0 JJAAMM O=C1C[C@H](c2ccc(F)c(Br)c2)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1 ZINC000086057697 569717503 /nfs/dbraw/zinc/71/75/03/569717503.db2.gz IGQLNQHIQWGYFV-GFCCVEGCSA-N -1 1 478.318 4.577 50 0 JJAAMM CC[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN(Cc2ccccc2F)C1=O ZINC000035887034 569720706 /nfs/dbraw/zinc/72/07/06/569720706.db2.gz SGXIGBSKCUNNAL-QHCPKHFHSA-N -1 1 486.540 4.774 50 0 JJAAMM O=C1C[C@H](c2cccc3cccnc32)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096114331 569733428 /nfs/dbraw/zinc/73/34/28/569733428.db2.gz CNIKAWDNWJISPM-GOSISDBHSA-N -1 1 451.434 4.860 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1cccc3cccnc31)CC(=O)O2 ZINC000096114331 569733429 /nfs/dbraw/zinc/73/34/29/569733429.db2.gz CNIKAWDNWJISPM-GOSISDBHSA-N -1 1 451.434 4.860 50 0 biogenic JJAAMM O=C1C[C@@H](c2cccnc2N2CCCCC2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115173 569734325 /nfs/dbraw/zinc/73/43/25/569734325.db2.gz IJIXIINKRSNEGF-IBGZPJMESA-N -1 1 484.508 4.698 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1cccnc1N1CCCCC1)CC(=O)O2 ZINC000096115173 569734326 /nfs/dbraw/zinc/73/43/26/569734326.db2.gz IJIXIINKRSNEGF-IBGZPJMESA-N -1 1 484.508 4.698 50 0 biogenic JJAAMM Cc1cccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccccc6)oc-5c43)c(=O)[nH]c12 ZINC000096115431 569734470 /nfs/dbraw/zinc/73/44/70/569734470.db2.gz CUBQHZDITWMCEI-QGZVFWFLSA-N -1 1 465.461 4.757 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1ccc(F)c(F)c1F)CC(=O)O2 ZINC000096115710 569734600 /nfs/dbraw/zinc/73/46/00/569734600.db2.gz ZPIVVUOUQNSWHD-ZDUSSCGKSA-N -1 1 454.356 4.730 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 ZINC000096115774 569734709 /nfs/dbraw/zinc/73/47/09/569734709.db2.gz NQWRHWZFTFXGTK-ZDUSSCGKSA-N -1 1 454.356 4.730 50 0 biogenic JJAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(O)c1 ZINC000100085629 569752651 /nfs/dbraw/zinc/75/26/51/569752651.db2.gz VELMMPLIHZUTLH-UHFFFAOYSA-N -1 1 452.514 4.972 50 0 JJAAMM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101101482 569782814 /nfs/dbraw/zinc/78/28/14/569782814.db2.gz OVQNCXQGSUJJPI-VJGNERBWSA-N -1 1 490.515 4.957 50 0 JJAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3OCC)C2)c1=O ZINC000101766559 569804710 /nfs/dbraw/zinc/80/47/10/569804710.db2.gz IEFHLSSJEJNVNK-OAQYLSRUSA-N -1 1 465.575 4.799 50 0 JJAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3OCC)C2)c1=O ZINC000101766553 569804725 /nfs/dbraw/zinc/80/47/25/569804725.db2.gz IEFHLSSJEJNVNK-NRFANRHFSA-N -1 1 465.575 4.799 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc4ccccc4s3)c2)cc1NC(C)=O ZINC000040156332 569821198 /nfs/dbraw/zinc/82/11/98/569821198.db2.gz QLOMDSWBPTUGFN-UHFFFAOYSA-N -1 1 468.560 4.808 50 0 JJAAMM O=C(N[C@@H]1CCc2ccccc21)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421214 569846887 /nfs/dbraw/zinc/84/68/87/569846887.db2.gz QEGRXEFPECWKNB-SIKLNZKXSA-N -1 1 470.598 4.672 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCc4ccccc4C)C2)nc3=O)cc1 ZINC000049421311 569847012 /nfs/dbraw/zinc/84/70/12/569847012.db2.gz FRLXKDHGRDELGM-OAQYLSRUSA-N -1 1 472.614 4.801 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NC4CCCCC4)C2)nc3=O)cc1 ZINC000049421258 569847062 /nfs/dbraw/zinc/84/70/62/569847062.db2.gz MPIITKAUJOPEHH-SFHVURJKSA-N -1 1 450.608 4.625 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NC4CCC(C)CC4)C2)nc3=O)cc1 ZINC000049421262 569847117 /nfs/dbraw/zinc/84/71/17/569847117.db2.gz NYRNKNYXHPFRKP-SYYJFZTOSA-N -1 1 464.635 4.871 50 0 JJAAMM COc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1Br ZINC000226897324 570039389 /nfs/dbraw/zinc/03/93/89/570039389.db2.gz KCPNSCLXHOLDPK-BHDDXSALSA-N -1 1 479.330 4.509 50 0 JJAAMM Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000000797279 193914808 /nfs/dbraw/zinc/91/48/08/193914808.db2.gz OSYPDQCFGRBRGL-UHFFFAOYSA-N -1 1 492.338 4.653 50 0 JJAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000001044981 194008730 /nfs/dbraw/zinc/00/87/30/194008730.db2.gz LDEUKBGBLPWVHS-UHFFFAOYSA-N -1 1 492.447 4.585 50 0 JJAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000001058915 194011890 /nfs/dbraw/zinc/01/18/90/194011890.db2.gz SOOGGJUZSBSKTO-UHFFFAOYSA-N -1 1 483.036 4.972 50 0 JJAAMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(I)cc3)c2)cs1 ZINC000001110965 194027467 /nfs/dbraw/zinc/02/74/67/194027467.db2.gz UEJVHTSDULSZED-UHFFFAOYSA-N -1 1 456.330 4.524 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(I)cc3)cc2)cc1 ZINC000001116499 194030165 /nfs/dbraw/zinc/03/01/65/194030165.db2.gz BRKJMKVZMQYVKL-UHFFFAOYSA-N -1 1 492.338 4.653 50 0 JJAAMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)c(C)c1 ZINC000001145552 194047330 /nfs/dbraw/zinc/04/73/30/194047330.db2.gz UXVZCXLZCSLLRN-UHFFFAOYSA-N -1 1 458.605 4.830 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000001152554 194051252 /nfs/dbraw/zinc/05/12/52/194051252.db2.gz HGUVQNNWVPFEDW-UHFFFAOYSA-N -1 1 450.969 4.558 50 0 JJAAMM CC1(C)Cc2oc3c(cc([N-]S(=O)(=O)c4ccc5[nH]c(=O)[nH]c5c4)c4ccccc34)c2C(=O)C1 ZINC000001320752 194084385 /nfs/dbraw/zinc/08/43/85/194084385.db2.gz LCSFUUFKEKVZKL-UHFFFAOYSA-N -1 1 475.526 4.712 50 0 JJAAMM O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1 ZINC000003236036 194247273 /nfs/dbraw/zinc/24/72/73/194247273.db2.gz CIGZPIFMGYTUGW-UHFFFAOYSA-N -1 1 462.543 4.775 50 0 JJAAMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1OC ZINC000003307034 194275124 /nfs/dbraw/zinc/27/51/24/194275124.db2.gz SSYFKGMGZGCMMT-LNKIKWGQSA-N -1 1 472.950 4.810 50 0 JJAAMM Cc1c2ccc3ccccc3c2oc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000003362320 194301102 /nfs/dbraw/zinc/30/11/02/194301102.db2.gz CJIUEKORSRSMES-UHFFFAOYSA-N -1 1 453.397 4.609 50 0 JJAAMM COc1cccc(Nc2nc(N)nc(CSc3nc(CSc4ccc(C)cc4)cc(=O)[n-]3)n2)c1 ZINC000009161369 194576700 /nfs/dbraw/zinc/57/67/00/194576700.db2.gz GRBFGERACLGQNH-UHFFFAOYSA-N -1 1 493.618 4.595 50 0 JJAAMM C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009960482 195039129 /nfs/dbraw/zinc/03/91/29/195039129.db2.gz UTQJQDCQXOLQRP-DLUDVSRJSA-N -1 1 489.578 4.885 50 0 JJAAMM C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009960479 195039192 /nfs/dbraw/zinc/03/91/92/195039192.db2.gz UTQJQDCQXOLQRP-HWRSSNJWSA-N -1 1 489.578 4.885 50 0 JJAAMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012605025 195050170 /nfs/dbraw/zinc/05/01/70/195050170.db2.gz LPMJOCDTXSGNLK-UHFFFAOYSA-N -1 1 464.465 4.500 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000012615285 195055035 /nfs/dbraw/zinc/05/50/35/195055035.db2.gz YETGESCXGPLKLI-DBXWQHBBSA-N -1 1 482.817 4.843 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)c2)cc1 ZINC000012631499 195063780 /nfs/dbraw/zinc/06/37/80/195063780.db2.gz UREXTJOLUKTDRS-UHFFFAOYSA-N -1 1 460.502 4.669 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4oc(C)nc4c3)c2)cc1 ZINC000012742192 195101325 /nfs/dbraw/zinc/10/13/25/195101325.db2.gz GKYSWWOGTZXHAI-UHFFFAOYSA-N -1 1 451.504 4.588 50 0 JJAAMM CC(C)[C@H](NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1)c1ccccc1 ZINC000012764173 195112547 /nfs/dbraw/zinc/11/25/47/195112547.db2.gz JTILDNTVCBKSKV-UPVQGACJSA-N -1 1 492.645 4.626 50 0 JJAAMM CC(C)[C@@H](NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1)c1ccccc1 ZINC000012764167 195112624 /nfs/dbraw/zinc/11/26/24/195112624.db2.gz JTILDNTVCBKSKV-LADGPHEKSA-N -1 1 492.645 4.626 50 0 JJAAMM COc1ccc(Br)cc1-c1nc2c(c(=O)[n-]1)Cc1cc(Br)cc(OC)c1O2 ZINC000020901834 195241507 /nfs/dbraw/zinc/24/15/07/195241507.db2.gz MBSCTXHJHBTAJW-UHFFFAOYSA-N -1 1 494.139 4.676 50 0 JJAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccccc1 ZINC000020903823 195243850 /nfs/dbraw/zinc/24/38/50/195243850.db2.gz DQKBDHMTPDPWPY-CTNGQTDRSA-N -1 1 460.584 4.926 50 0 JJAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)nc1[O-] ZINC000020903880 195243914 /nfs/dbraw/zinc/24/39/14/195243914.db2.gz XZYVWSCHZJUAFD-UGKGYDQZSA-N -1 1 490.610 4.935 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4n3C)cc2)cc1 ZINC000058314006 195377218 /nfs/dbraw/zinc/37/72/18/195377218.db2.gz PITWYIVDNCRLBE-DEOSSOPVSA-N -1 1 474.586 4.660 50 0 JJAAMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096293066 130046671 /nfs/dbraw/zinc/04/66/71/130046671.db2.gz RGFRTXUBGXDBKB-YJYMSZOUSA-N -1 1 499.511 4.838 50 0 JJAAMM CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)[N-]c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)cc21 ZINC000033106135 519634764 /nfs/dbraw/zinc/63/47/64/519634764.db2.gz MAOQHVJJFMNZJG-OAHLLOKOSA-N -1 1 479.533 4.909 50 0 JJAAMM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)s1 ZINC000033306461 519702365 /nfs/dbraw/zinc/70/23/65/519702365.db2.gz OAFDYQHQLHFHCL-QPJJXVBHSA-N -1 1 455.920 4.767 50 0 JJAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000016225176 520635041 /nfs/dbraw/zinc/63/50/41/520635041.db2.gz AHCANXRXJNGDJS-YBEGLDIGSA-N -1 1 455.966 4.836 50 0 JJAAMM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000021710822 520656705 /nfs/dbraw/zinc/65/67/05/520656705.db2.gz GJMDDQFOFLERJA-OAQYLSRUSA-N -1 1 499.677 4.553 50 0 JJAAMM CCCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)nc1 ZINC000033138651 520685563 /nfs/dbraw/zinc/68/55/63/520685563.db2.gz OATPHEPJYWAMED-UHFFFAOYSA-N -1 1 498.630 4.522 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cc1 ZINC000002658107 521209425 /nfs/dbraw/zinc/20/94/25/521209425.db2.gz RABDRFLLSZXPKW-UHFFFAOYSA-N -1 1 458.967 4.512 50 0 JJAAMM CCCc1cc(=O)[n-]c(SCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)n1 ZINC000016045661 521342291 /nfs/dbraw/zinc/34/22/91/521342291.db2.gz PDZTWMJSMLOAPN-FQEVSTJZSA-N -1 1 478.039 4.578 50 0 JJAAMM CCOc1cccc(CNC(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)c1 ZINC000049421152 521355390 /nfs/dbraw/zinc/35/53/90/521355390.db2.gz HOZOLKUWBZXMDK-HXUWFJFHSA-N -1 1 488.613 4.583 50 0 JJAAMM CCOc1cccc(CNC(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)c1 ZINC000049421153 521357329 /nfs/dbraw/zinc/35/73/29/521357329.db2.gz HOZOLKUWBZXMDK-FQEVSTJZSA-N -1 1 488.613 4.583 50 0 JJAAMM CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421151 521498130 /nfs/dbraw/zinc/49/81/30/521498130.db2.gz JCCYWJGUSWRJJB-FQEVSTJZSA-N -1 1 488.613 4.583 50 0 JJAAMM CCNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(F)c(Cl)c4)ccc3n2C)cc1 ZINC000033276970 521747301 /nfs/dbraw/zinc/74/73/01/521747301.db2.gz OUQKJXCJXGKGHK-UHFFFAOYSA-N -1 1 486.956 4.583 50 0 JJAAMM COc1cc(-c2ccc(F)cc2)nc2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 ZINC000033292727 521897826 /nfs/dbraw/zinc/89/78/26/521897826.db2.gz VSFORQASJBRSPR-UHFFFAOYSA-N -1 1 465.506 4.809 50 0 JJAAMM CCn1c(C)nc2cc([N-]S(=O)(=O)c3ccccc3)cc(C(=O)N(C)Cc3ccc(F)cc3)c21 ZINC000012217460 523146989 /nfs/dbraw/zinc/14/69/89/523146989.db2.gz RJLBUCXWWFCSLL-UHFFFAOYSA-N -1 1 480.565 4.577 50 0 JJAAMM COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc21 ZINC000033292716 523215553 /nfs/dbraw/zinc/21/55/53/523215553.db2.gz KOOPYOXFHHKBPZ-UHFFFAOYSA-N -1 1 492.553 4.571 50 0 JJAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc(F)c(Br)c2)CC(=O)N3)cc1 ZINC000086057304 524648470 /nfs/dbraw/zinc/64/84/70/524648470.db2.gz ROPOJSOJFUSNQP-AWEZNQCLSA-N -1 1 474.355 4.746 50 0 JJAAMM COc1ccccc1[C@@H](C)C(=O)Nn1c(=O)c2c([n-]c1=S)sc(C)c2-c1ccccc1 ZINC000020295169 524711073 /nfs/dbraw/zinc/71/10/73/524711073.db2.gz DCBFIFYYMDMNFW-CYBMUJFWSA-N -1 1 451.573 4.978 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)C)ccc2C)cc1C ZINC000002887216 525296459 /nfs/dbraw/zinc/29/64/59/525296459.db2.gz QTCFCVSUXNHZCL-UHFFFAOYSA-N -1 1 479.602 4.803 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)c(C)c1 ZINC000045941133 525595028 /nfs/dbraw/zinc/59/50/28/525595028.db2.gz LDZIXBJZXSASMY-UHFFFAOYSA-N -1 1 471.579 4.585 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)cc1C ZINC000030635171 525597649 /nfs/dbraw/zinc/59/76/49/525597649.db2.gz HOGSGXCQBXLVTA-UHFFFAOYSA-N -1 1 477.630 4.683 50 0 JJAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)NC2CCCCC2)cc1 ZINC000012252563 525634732 /nfs/dbraw/zinc/63/47/32/525634732.db2.gz AQKGSEQBTVEIKF-UHFFFAOYSA-N -1 1 469.632 4.759 50 0 JJAAMM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(C)cc2C)n(C)c(=O)n3C)cc1 ZINC000045941111 525670242 /nfs/dbraw/zinc/67/02/42/525670242.db2.gz YJFFFZLAHDOCCO-UHFFFAOYSA-N -1 1 467.616 4.754 50 0 JJAAMM Cc1ccc([C@@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(=O)C(C)C)o1 ZINC000046085327 525795315 /nfs/dbraw/zinc/79/53/15/525795315.db2.gz AAVCFUHOPISMPK-QFIPXVFZSA-N -1 1 451.548 4.723 50 0 JJAAMM Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000012464324 525795727 /nfs/dbraw/zinc/79/57/27/525795727.db2.gz ZQIBKVFCGKFUHN-HNNXBMFYSA-N -1 1 478.521 4.629 50 0 JJAAMM Cc1ccc(-n2c(C)nc3ccc([N-]S(=O)(=O)c4ccc5c(c4)CCCC5)cc3c2=O)cc1 ZINC000022501279 525895469 /nfs/dbraw/zinc/89/54/69/525895469.db2.gz OWCFCUPFTVHXGF-UHFFFAOYSA-N -1 1 459.571 4.682 50 0 JJAAMM O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421169 526660634 /nfs/dbraw/zinc/66/06/34/526660634.db2.gz YQRPLZUZBGTOOT-GOSISDBHSA-N -1 1 479.005 4.838 50 0 JJAAMM O=C(NCc1ccc(F)cc1Cl)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421170 526675353 /nfs/dbraw/zinc/67/53/53/526675353.db2.gz DALQMHNJJLFDFO-KRWDZBQOSA-N -1 1 496.995 4.977 50 0 JJAAMM O=C(NCc1ccc(F)cc1F)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421073 526676503 /nfs/dbraw/zinc/67/65/03/526676503.db2.gz OBYKTHLTFPSZKJ-UHFFFAOYSA-N -1 1 498.530 4.602 50 0 JJAAMM O=C(CSCc1ccc(F)cc1)Nn1c(=O)c2cc(Cc3ccccc3)sc2[n-]c1=S ZINC000020522941 527024700 /nfs/dbraw/zinc/02/47/00/527024700.db2.gz YRXNTKWAQNJILR-UHFFFAOYSA-N -1 1 471.604 4.854 50 0 JJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc(Cl)cc1 ZINC000012526040 527234492 /nfs/dbraw/zinc/23/44/92/527234492.db2.gz DLAAXXMSOCJTIC-UHFFFAOYSA-N -1 1 458.923 4.554 50 0 JJAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4cccc(F)c4)no3)c2)cc1)c1cccc(F)c1 ZINC000033254934 527247950 /nfs/dbraw/zinc/24/79/50/527247950.db2.gz DNPCHTBVAHJOFH-UHFFFAOYSA-N -1 1 493.495 4.727 50 0 JJAAMM O=c1nc(N2CCN(c3ccccn3)CC2)[n-]c2c(-c3ccc(Cl)c(Cl)c3)csc21 ZINC000048990050 527439707 /nfs/dbraw/zinc/43/97/07/527439707.db2.gz HSIHWSAVKSFBFD-UHFFFAOYSA-N -1 1 458.374 4.680 50 0 JJAAMM CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)c(Cl)c(Br)c1[O-] ZINC000000679290 553752488 /nfs/dbraw/zinc/75/24/88/553752488.db2.gz SLEBEBOAGOAPBI-QGZVFWFLSA-N -1 1 496.814 4.638 50 0 JJAAMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)cc1 ZINC000000711762 553767004 /nfs/dbraw/zinc/76/70/04/553767004.db2.gz GIVJMHGSYJUPQM-UHFFFAOYSA-N -1 1 461.337 4.511 50 0 JJAAMM Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000000808529 553784781 /nfs/dbraw/zinc/78/47/81/553784781.db2.gz WSXNEBHYPMMRLR-UHFFFAOYSA-N -1 1 456.372 4.935 50 0 JJAAMM COc1ccc2nc(Sc3ccc(Cl)cc3)c(C=C3C(=O)[N-]C(=S)N3C(C)=O)cc2c1 ZINC000002208776 554094082 /nfs/dbraw/zinc/09/40/82/554094082.db2.gz JTLZFXYRUAREDA-YBFXNURJSA-N -1 1 469.975 4.652 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)ccc2C)cc1 ZINC000002877063 554399355 /nfs/dbraw/zinc/39/93/55/554399355.db2.gz PPWQHOJMLCDFBL-UHFFFAOYSA-N -1 1 477.586 4.593 50 0 JJAAMM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000008740409 554642608 /nfs/dbraw/zinc/64/26/08/554642608.db2.gz CGBMNTFDANGFBQ-NFBKMPQASA-N -1 1 478.346 4.593 50 0 biogenic JJAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccco3)C2)cc1 ZINC000008745512 554648719 /nfs/dbraw/zinc/64/87/19/554648719.db2.gz DZRWVGMYTCEGKG-GGAORHGYSA-N -1 1 488.569 4.775 50 0 JJAAMM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000008896290 554785884 /nfs/dbraw/zinc/78/58/84/554785884.db2.gz SUHRSLMEQNHJSC-UHFFFAOYSA-N -1 1 471.513 4.695 50 0 JJAAMM C[C@H]1C[C@H](C)CN(c2nnc([N-]C(=O)c3cc(-c4ccc(Br)cc4)on3)s2)C1 ZINC000008911515 554800541 /nfs/dbraw/zinc/80/05/41/554800541.db2.gz CEAPDVLEWZPRAS-RYUDHWBXSA-N -1 1 462.373 4.690 50 0 JJAAMM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(COC(=O)[C@@H](C)Oc3ccccc3)nc(=O)c12 ZINC000008937381 554830772 /nfs/dbraw/zinc/83/07/72/554830772.db2.gz YPYJDKYHJCMQAB-QGZVFWFLSA-N -1 1 491.569 4.673 50 0 JJAAMM CCOC(=O)c1sc2[n-]c([C@H](C)OC(=O)Cc3coc4cc5c(cc34)CCC5)nc(=O)c2c1C ZINC000008965647 554840576 /nfs/dbraw/zinc/84/05/76/554840576.db2.gz VXYMYHJUTMATNV-ZDUSSCGKSA-N -1 1 480.542 4.552 50 0 JJAAMM CCn1c(CSc2nc(C)cc(C)n2)nc2cc([N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000008992903 554853463 /nfs/dbraw/zinc/85/34/63/554853463.db2.gz BNFKJGRONAYZKE-UHFFFAOYSA-N -1 1 453.593 4.556 50 0 JJAAMM COc1ccc(-c2csc(NC(=O)CSc3nc(-c4ccccc4)cc(=O)[n-]3)n2)cc1 ZINC000009087243 554889223 /nfs/dbraw/zinc/88/92/23/554889223.db2.gz ZAMGVKVMSIIEAD-UHFFFAOYSA-N -1 1 450.545 4.712 50 0 JJAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000009096902 554895554 /nfs/dbraw/zinc/89/55/54/554895554.db2.gz SECMMQFIBGVRSK-UHFFFAOYSA-N -1 1 470.541 4.861 50 0 JJAAMM C[C@@H](NC(=O)c1cccc(NC(=O)Cc2sc(Nc3ccccc3)nc2[O-])c1)c1cccc(F)c1 ZINC000009127156 554921854 /nfs/dbraw/zinc/92/18/54/554921854.db2.gz UXLGRUBZNCQHOI-ZHRRBRCNSA-N -1 1 490.560 4.755 50 0 JJAAMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000009172891 554954443 /nfs/dbraw/zinc/95/44/43/554954443.db2.gz QJILYNUGUKHLMP-UHFFFAOYSA-N -1 1 450.988 4.857 50 0 JJAAMM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])c(Br)cc1OCc1ccccc1 ZINC000009191509 554963959 /nfs/dbraw/zinc/96/39/59/554963959.db2.gz WXFBSDFKWIQBKU-NVMNQCDNSA-N -1 1 476.352 4.681 50 0 JJAAMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])c(Br)cc1OCc1ccccc1 ZINC000009191509 554963960 /nfs/dbraw/zinc/96/39/60/554963960.db2.gz WXFBSDFKWIQBKU-NVMNQCDNSA-N -1 1 476.352 4.681 50 0 JJAAMM Cc1cc(C)nc(SCc2nc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3n2C)n1 ZINC000009421507 555187412 /nfs/dbraw/zinc/18/74/12/555187412.db2.gz BLSIKWXCTUJZIZ-UHFFFAOYSA-N -1 1 474.011 4.727 50 0 JJAAMM COc1ccc([O-])c(C(=O)c2coc(=N)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)c1 ZINC000009443292 555215988 /nfs/dbraw/zinc/21/59/88/555215988.db2.gz ZJDGARVCIBDCGB-UHFFFAOYSA-N -1 1 456.454 4.749 50 0 JJAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(C)cc2)n1 ZINC000009453885 555225318 /nfs/dbraw/zinc/22/53/18/555225318.db2.gz POQUCOZEXVUTIC-HSZRJFAPSA-N -1 1 476.602 4.509 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000009468224 555247455 /nfs/dbraw/zinc/24/74/55/555247455.db2.gz LKTLIIZXTPKATM-HSZRJFAPSA-N -1 1 478.570 4.544 50 0 JJAAMM CCC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C[C@@H]1c1ccco1 ZINC000009489589 555264621 /nfs/dbraw/zinc/26/46/21/555264621.db2.gz BSMILVYHHLXVDR-HXUWFJFHSA-N -1 1 457.939 4.822 50 0 JJAAMM CC[C@H]1CCCCN1C(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O ZINC000009490549 555266300 /nfs/dbraw/zinc/26/63/00/555266300.db2.gz ZQRIXVSUAWGQOU-FQEVSTJZSA-N -1 1 495.645 4.881 50 0 JJAAMM CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)ccc1Cl ZINC000013138103 555334726 /nfs/dbraw/zinc/33/47/26/555334726.db2.gz GMHBYTKTYDLWSN-UHFFFAOYSA-N -1 1 473.060 4.777 50 0 JJAAMM CC[C@@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2cc(Cl)ccc2OC)c(=O)[n-]1 ZINC000013143613 555341288 /nfs/dbraw/zinc/34/12/88/555341288.db2.gz PUWZSMYRLXVISG-SECBINFHSA-N -1 1 471.029 4.586 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccc(COc4ccccc4)o3)c2)cc1 ZINC000009549502 555347586 /nfs/dbraw/zinc/34/75/86/555347586.db2.gz BRRCBZLZKYTBBH-UHFFFAOYSA-N -1 1 478.526 4.920 50 0 JJAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccco3)C2)cc1 ZINC000009640118 555349795 /nfs/dbraw/zinc/34/97/95/555349795.db2.gz BYHIMXONRWDROJ-IFMALSPDSA-N -1 1 492.532 4.605 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(-c4cc5ccccc5oc4=O)n3)cc2)cc1 ZINC000013346503 555376992 /nfs/dbraw/zinc/37/69/92/555376992.db2.gz HISUSPIWAUTVCT-UHFFFAOYSA-N -1 1 459.483 4.619 50 0 JJAAMM O=C(NCCc1ccc(Cl)cc1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000009669918 555385429 /nfs/dbraw/zinc/38/54/29/555385429.db2.gz JFMYMPYRNQMLJU-UHFFFAOYSA-N -1 1 467.349 4.906 50 0 JJAAMM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000009714894 555445630 /nfs/dbraw/zinc/44/56/30/555445630.db2.gz SPDVQPIRJIIVSE-UHFFFAOYSA-N -1 1 479.539 4.592 50 0 JJAAMM CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1 ZINC000009715079 555446494 /nfs/dbraw/zinc/44/64/94/555446494.db2.gz YJSPUGYFQMRJPN-UHFFFAOYSA-N -1 1 463.559 4.674 50 0 JJAAMM COc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000009739440 555471047 /nfs/dbraw/zinc/47/10/47/555471047.db2.gz BXZXMHHNACEBGC-UHFFFAOYSA-N -1 1 465.358 4.733 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Nc3ccccc3)ccc2N2CCCC2)cc1 ZINC000009750558 555482264 /nfs/dbraw/zinc/48/22/64/555482264.db2.gz XZWWBKPHJNDRJS-UHFFFAOYSA-N -1 1 466.563 4.740 50 0 JJAAMM Cc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000013526521 555487585 /nfs/dbraw/zinc/48/75/85/555487585.db2.gz BWJFPCOVODQWRZ-UHFFFAOYSA-N -1 1 463.328 4.950 50 0 JJAAMM Cc1ccc(N2C(=O)C[C@H](Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2=O)cc1C ZINC000013579516 555518565 /nfs/dbraw/zinc/51/85/65/555518565.db2.gz VMAOYXSUTUKGKY-QFIPXVFZSA-N -1 1 466.584 4.528 50 0 JJAAMM 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COc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1nc([O-])c(CC(=O)Nc2ccccc2)s1 ZINC000020134579 555659049 /nfs/dbraw/zinc/65/90/49/555659049.db2.gz IDGMNIBTESILJQ-ISKFKSNPSA-N -1 1 484.581 4.873 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC000013949376 555659108 /nfs/dbraw/zinc/65/91/08/555659108.db2.gz ANBRYVFVSBKOQB-RTBURBONSA-N -1 1 464.653 4.782 50 0 JJAAMM CCn1c(C)nc2cc([N-]S(=O)(=O)c3ccccc3)cc(C(=O)N[C@@H](C)Cc3cccs3)c21 ZINC000020208240 555700493 /nfs/dbraw/zinc/70/04/93/555700493.db2.gz FHTIHFWTYHMVCA-INIZCTEOSA-N -1 1 482.631 4.588 50 0 JJAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000010549212 555726742 /nfs/dbraw/zinc/72/67/42/555726742.db2.gz WHPZKVIJLJHBOW-UHFFFAOYSA-N -1 1 493.516 4.653 50 0 JJAAMM CCCn1c2ccccc2nc1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OCC)cc1 ZINC000010652790 555730462 /nfs/dbraw/zinc/73/04/62/555730462.db2.gz HBLLHWSXYQZGFF-UHFFFAOYSA-N -1 1 450.568 4.795 50 0 JJAAMM 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Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)[n-]c(=O)c1C ZINC000012008479 555884081 /nfs/dbraw/zinc/88/40/81/555884081.db2.gz QMGLFAFKHPCCJK-UHFFFAOYSA-N -1 1 465.513 4.681 50 0 JJAAMM Cc1cccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)c1 ZINC000012112477 555908819 /nfs/dbraw/zinc/90/88/19/555908819.db2.gz ANWCVHZBQAMNCL-UHFFFAOYSA-N -1 1 463.584 4.949 50 0 JJAAMM CC(=O)c1ccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012112492 555908854 /nfs/dbraw/zinc/90/88/54/555908854.db2.gz WOBLOGIESPOOPR-UHFFFAOYSA-N -1 1 491.594 4.843 50 0 JJAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)NCc3ccccc3)[n-]2)cc1 ZINC000012112501 555909206 /nfs/dbraw/zinc/90/92/06/555909206.db2.gz UMQRWGGHYDZCGP-UHFFFAOYSA-N -1 1 477.611 4.626 50 0 JJAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)NC3CCCCC3)[n-]2)cc1 ZINC000012112514 555909296 /nfs/dbraw/zinc/90/92/96/555909296.db2.gz CTKCKQVYXGTMLA-UHFFFAOYSA-N -1 1 469.632 4.759 50 0 JJAAMM O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1)Nc1ccc(F)cc1 ZINC000015669759 555924469 /nfs/dbraw/zinc/92/44/69/555924469.db2.gz AODUVKXYXUREOP-UHFFFAOYSA-N -1 1 473.576 4.967 50 0 JJAAMM CC(C)c1ccccc1OC(=O)CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[n-]n21 ZINC000015729881 555970978 /nfs/dbraw/zinc/97/09/78/555970978.db2.gz ZADANVORLMXCHK-UHFFFAOYSA-N -1 1 454.939 4.559 50 0 JJAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733824 555979434 /nfs/dbraw/zinc/97/94/34/555979434.db2.gz VLSOXMMRLDURAF-UHFFFAOYSA-N -1 1 456.564 4.703 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2nc3ccccc3s2)c1 ZINC000012521432 555992706 /nfs/dbraw/zinc/99/27/06/555992706.db2.gz ICHSRIRCYFYBLO-UHFFFAOYSA-N -1 1 465.600 4.986 50 0 JJAAMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1ccc(F)cc1Cl ZINC000022993283 555996049 /nfs/dbraw/zinc/99/60/49/555996049.db2.gz CHPSJOKBOIVEMP-UHFFFAOYSA-N -1 1 455.294 4.891 50 0 JJAAMM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc21 ZINC000015781437 556000532 /nfs/dbraw/zinc/00/05/32/556000532.db2.gz VZOJAXPSTFTIGP-UHFFFAOYSA-N -1 1 470.616 4.647 50 0 JJAAMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000015827806 556014888 /nfs/dbraw/zinc/01/48/88/556014888.db2.gz IGCNIRIWALLUGJ-DEOSSOPVSA-N -1 1 480.586 4.790 50 0 JJAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000012548233 556025932 /nfs/dbraw/zinc/02/59/32/556025932.db2.gz RCAMRHSXKLYOKV-UHFFFAOYSA-N -1 1 462.560 4.631 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3c(C)onc3-c3ccccc3)c2)cc1 ZINC000012552301 556035234 /nfs/dbraw/zinc/03/52/34/556035234.db2.gz IQSDNCVNRDRTPL-UHFFFAOYSA-N -1 1 463.515 4.712 50 0 JJAAMM CCOc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)sc2c1 ZINC000012583740 556081313 /nfs/dbraw/zinc/08/13/13/556081313.db2.gz WXKJTCKNPNMMNR-UHFFFAOYSA-N -1 1 471.535 4.887 50 0 JJAAMM Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000016044210 556123798 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NGMJWCURBBKZHO-UHFFFAOYSA-N -1 1 475.020 4.979 50 0 JJAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)Nc1ccccc1Cl ZINC000017200357 556239169 /nfs/dbraw/zinc/23/91/69/556239169.db2.gz GWOYYRCJGZXIRU-UHFFFAOYSA-N -1 1 460.993 4.889 50 0 JJAAMM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000017269617 556248842 /nfs/dbraw/zinc/24/88/42/556248842.db2.gz MNYREWLTJZEFEH-UHFFFAOYSA-N -1 1 477.586 4.819 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(CC)cc3)[n-]c2=O)cc1 ZINC000017271393 556249748 /nfs/dbraw/zinc/24/97/48/556249748.db2.gz WSTCWHABGYBXRI-UHFFFAOYSA-N -1 1 485.631 4.651 50 0 JJAAMM CN(Cc1ccco1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)cc1Cl ZINC000013101462 556301768 /nfs/dbraw/zinc/30/17/68/556301768.db2.gz JWPJOJMVGMWTAW-UHFFFAOYSA-N -1 1 457.310 4.799 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000027664427 556303733 /nfs/dbraw/zinc/30/37/33/556303733.db2.gz JQPZGRRXUSTFPF-OPYAIIAOSA-N -1 1 482.817 4.843 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](c3ccccc3)c3ccccn3)c2)cc1 ZINC000029714909 556355498 /nfs/dbraw/zinc/35/54/98/556355498.db2.gz IZDWOWCCGVONNE-RUZDIDTESA-N -1 1 457.555 4.710 50 0 JJAAMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCc1cccc2cccnc21 ZINC000029875177 556359623 /nfs/dbraw/zinc/35/96/23/556359623.db2.gz AJCNCIPUVPFNHL-SFHVURJKSA-N -1 1 467.374 4.588 50 0 JJAAMM Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1Cl ZINC000013134394 556362736 /nfs/dbraw/zinc/36/27/36/556362736.db2.gz MTEYAVONROMQRR-UHFFFAOYSA-N -1 1 472.950 4.553 50 0 JJAAMM COc1cccc(-n2c3nc(SCC(=O)Nc4cc(F)ccc4C)[n-]c(=O)c3sc2=S)c1 ZINC000032948314 556563328 /nfs/dbraw/zinc/56/33/28/556563328.db2.gz YGYKWMJZNNJNCT-UHFFFAOYSA-N -1 1 488.591 4.692 50 0 JJAAMM CCCCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O ZINC000006181245 562936941 /nfs/dbraw/zinc/93/69/41/562936941.db2.gz DZVFZPXDYBPEBZ-UHFFFAOYSA-N -1 1 483.634 4.787 50 0 JJAAMM O=C(c1cccs1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000008608648 562947128 /nfs/dbraw/zinc/94/71/28/562947128.db2.gz LHDPCSYKUDLXGG-UHFFFAOYSA-N -1 1 477.405 4.904 50 0 JJAAMM COc1ccccc1NC(=O)c1sc2[n-]c(-c3cc4cc(Cl)ccc4oc3=O)nc(=O)c2c1C ZINC000008618976 562948269 /nfs/dbraw/zinc/94/82/69/562948269.db2.gz LFJHMUJCEDKEHJ-UHFFFAOYSA-N -1 1 493.928 4.981 50 0 JJAAMM Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCC3=CCCCC3)c(=O)c2c1 ZINC000006181329 569588571 /nfs/dbraw/zinc/58/85/71/569588571.db2.gz NOXWTBLUEURIEN-UHFFFAOYSA-N -1 1 493.629 4.590 50 0 JJAAMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c(O)c1 ZINC000008725701 569600337 /nfs/dbraw/zinc/60/03/37/569600337.db2.gz PYRDHTAVZVCZOW-UHFFFAOYSA-N -1 1 450.438 4.773 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1OC ZINC000033007828 569615595 /nfs/dbraw/zinc/61/55/95/569615595.db2.gz XZEBQMYPJYKSBE-UHFFFAOYSA-N -1 1 483.571 4.675 50 0 JJAAMM CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[n-]1)C(=O)Nc1cc(C)ccc1C ZINC000064579517 569620321 /nfs/dbraw/zinc/62/03/21/569620321.db2.gz DYNJVEDBGJGTLA-IBGZPJMESA-N -1 1 485.631 4.758 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(C)c3)[n-]c2=O)cc1 ZINC000064591971 569622140 /nfs/dbraw/zinc/62/21/40/569622140.db2.gz LXMHOIKGGKSEJC-UHFFFAOYSA-N -1 1 485.631 4.705 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3c(C)cccc3C)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035917 569652880 /nfs/dbraw/zinc/65/28/80/569652880.db2.gz VDHKEBJFFMETKX-UHFFFAOYSA-N -1 1 486.663 4.809 50 0 JJAAMM CC[C@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000065059737 569654771 /nfs/dbraw/zinc/65/47/71/569654771.db2.gz GXVNICXGWFCCFK-SFHVURJKSA-N -1 1 453.564 4.820 50 0 JJAAMM CC[C@@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000065063328 569656382 /nfs/dbraw/zinc/65/63/82/569656382.db2.gz OEENPWJWCZWTIR-OAHLLOKOSA-N -1 1 459.955 4.856 50 0 JJAAMM CCN(c1ccccc1)S(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1Cl ZINC000034869726 569668268 /nfs/dbraw/zinc/66/82/68/569668268.db2.gz MFQPEKBZRNQDEH-UHFFFAOYSA-N -1 1 479.023 4.973 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCCc4cccs4)CC2)nc3=O)c1 ZINC000065314521 569672460 /nfs/dbraw/zinc/67/24/60/569672460.db2.gz AEZDRWNKVIJOSN-UHFFFAOYSA-N -1 1 478.643 4.597 50 0 JJAAMM CCCCc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)cc1 ZINC000067291638 569685706 /nfs/dbraw/zinc/68/57/06/569685706.db2.gz YDPBMWCYDIGGCC-UHFFFAOYSA-N -1 1 480.609 4.953 50 0 JJAAMM O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)OC(=C([O-])c2cccs2)c2cccs2)C1 ZINC000069375459 569692916 /nfs/dbraw/zinc/69/29/16/569692916.db2.gz SUTSSHQGTQNDJR-UUOWRZLLSA-N -1 1 483.611 4.985 50 0 JJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1OC ZINC000035684009 569706823 /nfs/dbraw/zinc/70/68/23/569706823.db2.gz ZWFITLZKKQGBIU-HSZRJFAPSA-N -1 1 463.559 4.584 50 0 JJAAMM Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2)ccc1=O ZINC000085651975 569713737 /nfs/dbraw/zinc/71/37/37/569713737.db2.gz HAPABIGRSCQNTC-UHFFFAOYSA-N -1 1 484.965 4.575 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc5ccc(C)cc5[nH]c3=O)CC(=O)O4)c2=O)cc1 ZINC000085878578 569716238 /nfs/dbraw/zinc/71/62/38/569716238.db2.gz ZKJNTAGXSYMSCM-SFHVURJKSA-N -1 1 495.487 4.765 50 0 biogenic JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000085878578 569716239 /nfs/dbraw/zinc/71/62/39/569716239.db2.gz ZKJNTAGXSYMSCM-SFHVURJKSA-N -1 1 495.487 4.765 50 0 biogenic JJAAMM CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)cc1OCC ZINC000086057499 569717363 /nfs/dbraw/zinc/71/73/63/569717363.db2.gz YDFFCCKRRVBZAE-QGZVFWFLSA-N -1 1 485.993 4.987 50 0 JJAAMM CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000086057571 569717483 /nfs/dbraw/zinc/71/74/83/569717483.db2.gz CHHRQTAMMCFKBK-KRWDZBQOSA-N -1 1 485.993 4.987 50 0 JJAAMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2CN(Cc2ccccc2F)C1=O ZINC000035887048 569720703 /nfs/dbraw/zinc/72/07/03/569720703.db2.gz DEOKGDAQUQOJME-HNNXBMFYSA-N -1 1 474.941 4.590 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc(OC)c1OC ZINC000096115791 569734731 /nfs/dbraw/zinc/73/47/31/569734731.db2.gz VGQNUUIPHYIDSU-INIZCTEOSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 ZINC000096116418 569735258 /nfs/dbraw/zinc/73/52/58/569735258.db2.gz SSAROIRYUILLBM-LJQANCHMSA-N -1 1 491.499 4.868 50 0 biogenic JJAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c1[O-] ZINC000101766751 569804754 /nfs/dbraw/zinc/80/47/54/569804754.db2.gz DQUNWUXKQNPHJK-HXUWFJFHSA-N -1 1 477.567 4.659 50 0 JJAAMM CSc1ccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1 ZINC000101828541 569805539 /nfs/dbraw/zinc/80/55/39/569805539.db2.gz IVTKLKWJUNSTBZ-UHFFFAOYSA-N -1 1 458.518 4.610 50 0 JJAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102760032 569821869 /nfs/dbraw/zinc/82/18/69/569821869.db2.gz HHBJMBDMRPNYGU-TWJOJJKGSA-N -1 1 472.541 4.844 50 0 JJAAMM O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421225 569846972 /nfs/dbraw/zinc/84/69/72/569846972.db2.gz NFRXRJNVNUWOKL-HXUWFJFHSA-N -1 1 497.624 4.708 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCCc4cccs4)C2)nc3=O)cc1 ZINC000049421303 569847016 /nfs/dbraw/zinc/84/70/16/569847016.db2.gz YMEGCQMLIJYYPD-GOSISDBHSA-N -1 1 478.643 4.597 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCc4ccc(F)cc4F)C2)nc3=O)cc1 ZINC000049421287 569847078 /nfs/dbraw/zinc/84/70/78/569847078.db2.gz CQFJOZQNCOZXEM-GOSISDBHSA-N -1 1 494.567 4.771 50 0 JJAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@@H](C(=O)NC3CCC(C)CC3)C1)nc2=O ZINC000049421426 569847354 /nfs/dbraw/zinc/84/73/54/569847354.db2.gz SWZWFTXZCHEGQW-CUYAVPTFSA-N -1 1 464.635 4.871 50 0 JJAAMM CCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000137138307 569864845 /nfs/dbraw/zinc/86/48/45/569864845.db2.gz RRFOHOMVXGJIOU-UHFFFAOYSA-N -1 1 480.568 4.840 50 0 JJAAMM CC(=O)Nc1nc(-c2cccc([N-]S(=O)(=O)c3cccc4c3cccc4N(C)C)c2)cs1 ZINC000149643172 569867926 /nfs/dbraw/zinc/86/79/26/569867926.db2.gz LBSMEKVVMYSTIH-UHFFFAOYSA-N -1 1 466.588 4.789 50 0 in-vitro JJAAMM CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000252493171 570081989 /nfs/dbraw/zinc/08/19/89/570081989.db2.gz NARCQHBKIORKDP-FQEVSTJZSA-N -1 1 457.939 4.822 50 0 JJAAMM CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000252493174 570081991 /nfs/dbraw/zinc/08/19/91/570081991.db2.gz NARCQHBKIORKDP-HXUWFJFHSA-N -1 1 457.939 4.822 50 0 JJAAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc(OC)c1O ZINC000253414660 570098641 /nfs/dbraw/zinc/09/86/41/570098641.db2.gz YCZZFMHHDJOBOZ-OAHLLOKOSA-N -1 1 494.883 4.983 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc2c1OCO2 ZINC000253414815 570098649 /nfs/dbraw/zinc/09/86/49/570098649.db2.gz YSCUQLFHUXTMCU-HNNXBMFYSA-N -1 1 492.867 4.997 50 0 JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(O)c(Cl)c2)cc1OC ZINC000263585760 570171332 /nfs/dbraw/zinc/17/13/32/570171332.db2.gz MDQAVLNSRPXICA-CQSZACIVSA-N -1 1 494.883 4.983 50 0 JJAAMM CO[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000001111730 194027979 /nfs/dbraw/zinc/02/79/79/194027979.db2.gz CEFWADIFSTWTAR-FQEVSTJZSA-N -1 1 475.364 4.576 50 0 JJAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Br)c2)c1)N1CCCc2ccccc21 ZINC000001116193 194029846 /nfs/dbraw/zinc/02/98/46/194029846.db2.gz ZUBDYVBNBKUWNH-UHFFFAOYSA-N -1 1 471.376 4.843 50 0 JJAAMM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000001145647 194047517 /nfs/dbraw/zinc/04/75/17/194047517.db2.gz GJQGZYOAVGACSK-UHFFFAOYSA-N -1 1 495.420 4.668 50 0 JJAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc(F)cc1 ZINC000001135182 194041651 /nfs/dbraw/zinc/04/16/51/194041651.db2.gz AELPLYDDEAOTHP-UHFFFAOYSA-N -1 1 475.350 4.734 50 0 JJAAMM COc1cc2ncnc(Nc3cc(Br)c([O-])c(Br)c3)c2cc1OC ZINC000001488513 194125977 /nfs/dbraw/zinc/12/59/77/194125977.db2.gz YVCXQRVVNQMZEI-UHFFFAOYSA-N -1 1 455.106 4.621 50 0 JJAAMM COc1cccc2cc(-c3nc(=O)c4c(C)c(C(=O)Nc5ccc(F)cc5F)sc4[n-]3)c(=O)oc21 ZINC000002959775 194181310 /nfs/dbraw/zinc/18/13/10/194181310.db2.gz RSKGNWWXEJTZCY-UHFFFAOYSA-N -1 1 495.463 4.606 50 0 JJAAMM Cc1ccc([O-])c(C(=O)c2cc(C(=O)Nc3ccccc3C)c(=O)n(-c3ccccc3C)c2)c1 ZINC000003251847 194252243 /nfs/dbraw/zinc/25/22/43/194252243.db2.gz OZOHRLXOFWALSK-UHFFFAOYSA-N -1 1 452.510 4.952 50 0 JJAAMM CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000003273472 194259145 /nfs/dbraw/zinc/25/91/45/194259145.db2.gz HMWFXNRUEXVMTA-IBGZPJMESA-N -1 1 480.586 4.851 50 0 JJAAMM COc1cc(Cl)c(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000003429009 194321401 /nfs/dbraw/zinc/32/14/01/194321401.db2.gz QGHNQHYFUFNRBB-UHFFFAOYSA-N -1 1 466.893 4.988 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3coc(-c4cccs4)n3)cc2)cc1 ZINC000009203659 194593395 /nfs/dbraw/zinc/59/33/95/194593395.db2.gz TVPSEHFFOWUKMM-UHFFFAOYSA-N -1 1 483.571 4.533 50 0 JJAAMM CC[C@H](Sc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000009908960 195019988 /nfs/dbraw/zinc/01/99/88/195019988.db2.gz BBVNFYSMCYTLAO-IBGZPJMESA-N -1 1 471.604 4.648 50 0 JJAAMM Cc1nc(-c2ccc(CNC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)s2)cs1 ZINC000009950963 195033531 /nfs/dbraw/zinc/03/35/31/195033531.db2.gz IYKWWJJWHBJDSV-UHFFFAOYSA-N -1 1 469.613 4.911 50 0 JJAAMM O=S(=O)([N-]c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000009958172 195037532 /nfs/dbraw/zinc/03/75/32/195037532.db2.gz ZMRIQJXWKCWBRH-UHFFFAOYSA-N -1 1 463.389 4.657 50 0 JJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C1CC1 ZINC000012604650 195049562 /nfs/dbraw/zinc/04/95/62/195049562.db2.gz BHFGOFOJHYGSLQ-UHFFFAOYSA-N -1 1 452.376 4.874 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c(C)c1 ZINC000012605149 195050610 /nfs/dbraw/zinc/05/06/10/195050610.db2.gz FUWCHHXYXAPJKV-UHFFFAOYSA-N -1 1 450.969 4.558 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)c2)cc1 ZINC000012605490 195050785 /nfs/dbraw/zinc/05/07/85/195050785.db2.gz KVOARTHUCQCRIX-INIZCTEOSA-N -1 1 481.599 4.939 50 0 JJAAMM CN(Cc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012605657 195051257 /nfs/dbraw/zinc/05/12/57/195051257.db2.gz JGTSUXWSBJNDBA-UHFFFAOYSA-N -1 1 459.365 4.522 50 0 JJAAMM COc1ccccc1C(=O)[N-]C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000012779564 195123453 /nfs/dbraw/zinc/12/34/53/195123453.db2.gz ZFWNJODDMXSEMD-UHFFFAOYSA-N -1 1 453.520 4.555 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C3CC3)C3CC3)c2)cc1Br ZINC000012780176 195124024 /nfs/dbraw/zinc/12/40/24/195124024.db2.gz NACCPZVUVOFXPL-UHFFFAOYSA-N -1 1 493.423 4.567 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccsc3)c2)cc1Br ZINC000012807061 195142098 /nfs/dbraw/zinc/14/20/98/195142098.db2.gz AMRGUEQXRULUQN-UHFFFAOYSA-N -1 1 481.393 4.962 50 0 JJAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)nc1[O-] ZINC000020903876 195243808 /nfs/dbraw/zinc/24/38/08/195243808.db2.gz XZYVWSCHZJUAFD-KNQAVFIVSA-N -1 1 490.610 4.935 50 0 JJAAMM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000020987092 195260754 /nfs/dbraw/zinc/26/07/54/195260754.db2.gz DRDJBGSQPVJOAL-UHFFFAOYSA-N -1 1 459.453 4.555 50 0 JJAAMM Cn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000021356983 195297769 /nfs/dbraw/zinc/29/77/69/195297769.db2.gz VVNABLYFBAQYIN-UHFFFAOYSA-N -1 1 470.392 4.922 50 0 JJAAMM CCOC(=O)c1oc2ccccc2c1CNC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000058309588 195377026 /nfs/dbraw/zinc/37/70/26/195377026.db2.gz 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PPFVKXADZGELIN-UHFFFAOYSA-N -1 1 481.393 4.501 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4nc(C)sc4c3)c2)cc1 ZINC000009714851 555445318 /nfs/dbraw/zinc/44/53/18/555445318.db2.gz LWFQXPSLYWSVLA-UHFFFAOYSA-N -1 1 453.545 4.666 50 0 JJAAMM Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000009715099 555446489 /nfs/dbraw/zinc/44/64/89/555446489.db2.gz ZNDDQCCWUIWSCI-UHFFFAOYSA-N -1 1 460.342 4.802 50 0 JJAAMM COc1ccccc1NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009716629 555449973 /nfs/dbraw/zinc/44/99/73/555449973.db2.gz QFFUGUYVPAKGMU-UHFFFAOYSA-N -1 1 487.386 4.604 50 0 JJAAMM CC(=O)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000009632564 555463876 /nfs/dbraw/zinc/46/38/76/555463876.db2.gz IQJCZSQRUGFBRN-UHFFFAOYSA-N -1 1 492.475 4.726 50 0 JJAAMM CCOC(=O)C1=C[C@@]2(C)CCCN3CCc4c5c(cccc5[N-]S(=O)(=O)c5ccccc5)n1c4[C@@H]32 ZINC000019880467 555525594 /nfs/dbraw/zinc/52/55/94/555525594.db2.gz ATZAJBHVZRCWDV-XNMGPUDCSA-N -1 1 491.613 4.559 50 0 JJAAMM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000010034905 555601930 /nfs/dbraw/zinc/60/19/30/555601930.db2.gz TXPVAIGUCVRJJL-UHFFFAOYSA-N -1 1 491.363 4.519 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1Cl ZINC000010042532 555606713 /nfs/dbraw/zinc/60/67/13/555606713.db2.gz DNUOHBBCWWJFCJ-NYYWCZLTSA-N -1 1 470.934 4.830 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000013949375 555658973 /nfs/dbraw/zinc/65/89/73/555658973.db2.gz ANBRYVFVSBKOQB-KDURUIRLSA-N -1 1 464.653 4.782 50 0 JJAAMM CC(C)[C@@H](NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1)c1cccs1 ZINC000010853112 555743576 /nfs/dbraw/zinc/74/35/76/555743576.db2.gz HRMLYPXXMNRYKT-RBBKRZOGSA-N -1 1 498.674 4.688 50 0 JJAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1C ZINC000020344544 555778783 /nfs/dbraw/zinc/77/87/83/555778783.db2.gz VNKXASVGRJNNQS-UHFFFAOYSA-N -1 1 484.643 4.863 50 0 JJAAMM CCn1c(C)nc2cc([N-]S(=O)(=O)c3ccccc3)cc(C(=O)N[C@@H](C)Cc3ccsc3)c21 ZINC000011785259 555817380 /nfs/dbraw/zinc/81/73/80/555817380.db2.gz BWFWWVJCPDXNHY-INIZCTEOSA-N -1 1 482.631 4.588 50 0 JJAAMM CCOc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[n-]2)cc1OCC ZINC000011854906 555836679 /nfs/dbraw/zinc/83/66/79/555836679.db2.gz BVTSJVSNRXMVOG-UHFFFAOYSA-N -1 1 479.562 4.763 50 0 JJAAMM CCOc1ccc(CC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000011855627 555837307 /nfs/dbraw/zinc/83/73/07/555837307.db2.gz NHIQFBQXGSXNFP-UHFFFAOYSA-N -1 1 463.563 4.800 50 0 JJAAMM CCOc1ccc(C=CC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1OC ZINC000022088498 555872937 /nfs/dbraw/zinc/87/29/37/555872937.db2.gz ZIOUPWFAQBIPFZ-ZRDIBKRKSA-N -1 1 462.527 4.816 50 0 JJAAMM CCc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000012007020 555883858 /nfs/dbraw/zinc/88/38/58/555883858.db2.gz JBOHZJFPUNRCCJ-UHFFFAOYSA-N -1 1 465.513 4.626 50 0 JJAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 ZINC000012008006 555884233 /nfs/dbraw/zinc/88/42/33/555884233.db2.gz HPWOYWFSNJUGMJ-UHFFFAOYSA-N -1 1 456.462 4.659 50 0 JJAAMM CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000015388671 555901945 /nfs/dbraw/zinc/90/19/45/555901945.db2.gz JPNAGGFZLCJEPZ-UHFFFAOYSA-N -1 1 492.384 4.505 50 0 JJAAMM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCCC2 ZINC000012130837 555911687 /nfs/dbraw/zinc/91/16/87/555911687.db2.gz UERLUVCUHIZVBA-UHFFFAOYSA-N -1 1 465.557 4.560 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000012521435 555993171 /nfs/dbraw/zinc/99/31/71/555993171.db2.gz ACPPOPKJGKKGTG-VQTJNVASSA-N -1 1 480.586 4.527 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccc(Br)cc3)cc2)cc1 ZINC000012526253 555994358 /nfs/dbraw/zinc/99/43/58/555994358.db2.gz IHLFFXGTUFEHKC-OAHLLOKOSA-N -1 1 489.391 4.750 50 0 JJAAMM CC(C)c1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)cc1 ZINC000023114532 556011520 /nfs/dbraw/zinc/01/15/20/556011520.db2.gz BVNFUKMIMHGJIM-UHFFFAOYSA-N -1 1 466.582 4.734 50 0 JJAAMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2c(=O)n1-c1ccc(F)cc1 ZINC000023143983 556022643 /nfs/dbraw/zinc/02/26/43/556022643.db2.gz IAUBMOYHTKESPB-UHFFFAOYSA-N -1 1 477.439 4.653 50 0 JJAAMM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(-c4cc5cc(Cl)ccc5[nH]4)c3)ccc21 ZINC000015868414 556045379 /nfs/dbraw/zinc/04/53/79/556045379.db2.gz YYUPGIGEEYWZEZ-UHFFFAOYSA-N -1 1 453.907 4.734 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@H](NC(=O)c3cccs3)C(C)C)c2)cc1C ZINC000012561007 556053739 /nfs/dbraw/zinc/05/37/39/556053739.db2.gz IYFDMRALBTUQJV-JOCHJYFZSA-N -1 1 485.631 4.559 50 0 JJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000015882236 556055553 /nfs/dbraw/zinc/05/55/53/556055553.db2.gz HTTDFNOUCLYHCS-UHFFFAOYSA-N -1 1 462.497 4.954 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000012564203 556059806 /nfs/dbraw/zinc/05/98/06/556059806.db2.gz NZNNLBGPZYSDPR-UHFFFAOYSA-N -1 1 481.357 4.820 50 0 JJAAMM COc1ccccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000015891917 556061102 /nfs/dbraw/zinc/06/11/02/556061102.db2.gz ACTHEDRRTGAVNC-UHFFFAOYSA-N -1 1 461.337 4.511 50 0 JJAAMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000016044192 556123654 /nfs/dbraw/zinc/12/36/54/556123654.db2.gz FHAAOJKAKQXULS-NAVXVDNBSA-N -1 1 473.466 4.629 50 0 JJAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)c2)s1 ZINC000024905416 556162808 /nfs/dbraw/zinc/16/28/08/556162808.db2.gz BVKPROATLNJSSI-ISKFKSNPSA-N -1 1 492.645 4.545 50 0 JJAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(Br)cc4)no3)n2)c1 ZINC000016960562 556191252 /nfs/dbraw/zinc/19/12/52/556191252.db2.gz NMTSAKHKAVNSLK-UHFFFAOYSA-N -1 1 471.336 4.963 50 0 JJAAMM COc1cccc(-n2c3nc(SCC(=O)Nc4ccc(C)c(F)c4)[n-]c(=O)c3sc2=S)c1 ZINC000017121036 556219335 /nfs/dbraw/zinc/21/93/35/556219335.db2.gz RXVLVUUTOLXYNN-UHFFFAOYSA-N -1 1 488.591 4.692 50 0 JJAAMM Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)cc1F ZINC000017143753 556225329 /nfs/dbraw/zinc/22/53/29/556225329.db2.gz WVROJMSONQUIQX-UHFFFAOYSA-N -1 1 472.592 4.992 50 0 JJAAMM Cc1ccc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1 ZINC000013041442 556246847 /nfs/dbraw/zinc/24/68/47/556246847.db2.gz MUVSCIGIFYDYLU-UHFFFAOYSA-N -1 1 484.521 4.924 50 0 JJAAMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C(F)(F)F)c2)cc1OC ZINC000026531342 556255482 /nfs/dbraw/zinc/25/54/82/556255482.db2.gz INZNMTCMCPANBH-UHFFFAOYSA-N -1 1 454.264 4.594 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000027015696 556268128 /nfs/dbraw/zinc/26/81/28/556268128.db2.gz AMGPDIQQDTWGEK-OPYAIIAOSA-N -1 1 464.827 4.704 50 0 JJAAMM O=C(NCCc1ccccc1)C(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1nnn[n-]1 ZINC000027562053 556296745 /nfs/dbraw/zinc/29/67/45/556296745.db2.gz QYCONJOABXOAKV-GHRIWEEISA-N -1 1 454.317 4.666 50 0 JJAAMM O=C(NCCc1ccccc1)C(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1nn[n-]n1 ZINC000027562053 556296749 /nfs/dbraw/zinc/29/67/49/556296749.db2.gz QYCONJOABXOAKV-GHRIWEEISA-N -1 1 454.317 4.666 50 0 JJAAMM O=S(=O)([N-]c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)cc1 ZINC000019814678 556382812 /nfs/dbraw/zinc/38/28/12/556382812.db2.gz XWUFDKBUDLMRHK-UHFFFAOYSA-N -1 1 456.321 4.967 50 0 JJAAMM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(N(CC)CC)cc3C)cc21 ZINC000063437303 569615102 /nfs/dbraw/zinc/61/51/02/569615102.db2.gz UAFVUKXBRZGCBL-UHFFFAOYSA-N -1 1 494.455 4.704 50 0 JJAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)cc1 ZINC000064580860 569620691 /nfs/dbraw/zinc/62/06/91/569620691.db2.gz PJGLYRHESFGDME-UHFFFAOYSA-N -1 1 471.579 4.531 50 0 JJAAMM CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cccc(CC)c3)c1)NC(=O)CCC2=O ZINC000065011120 569648058 /nfs/dbraw/zinc/64/80/58/569648058.db2.gz TYKSTRMMSQVZAP-UHFFFAOYSA-N -1 1 480.590 4.547 50 0 JJAAMM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCCC3)s2)n(C)c1C ZINC000065035923 569652863 /nfs/dbraw/zinc/65/28/63/569652863.db2.gz UQOVOVCYGPGSSZ-UHFFFAOYSA-N -1 1 486.663 4.755 50 0 JJAAMM CC[C@@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059718 569654884 /nfs/dbraw/zinc/65/48/84/569654884.db2.gz DQPIPLVUULIJHW-OAHLLOKOSA-N -1 1 459.955 4.856 50 0 JJAAMM CCc1nnc2c(Oc3cccc([N-]S(=O)(=O)c4ccccc4C)c3)nc3ccccc3n12 ZINC000065096510 569661008 /nfs/dbraw/zinc/66/10/08/569661008.db2.gz HYNBDTQFIAUXDJ-UHFFFAOYSA-N -1 1 459.531 4.741 50 0 JJAAMM Cc1ccc(-c2noc(C(=O)N3CCCCCC3)n2)cc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000065319128 569673791 /nfs/dbraw/zinc/67/37/91/569673791.db2.gz GCPKADZJZXKDID-UHFFFAOYSA-N -1 1 494.617 4.741 50 0 JJAAMM CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(OC)cc2)cc1 ZINC000035378137 569685774 /nfs/dbraw/zinc/68/57/74/569685774.db2.gz CEOADSPXWKJWTJ-UHFFFAOYSA-N -1 1 477.542 4.601 50 0 JJAAMM CCOc1ccc([C@@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(C)=O)cc1 ZINC000035684046 569706787 /nfs/dbraw/zinc/70/67/87/569706787.db2.gz JCDCZCPIOLXINL-VWLOTQADSA-N -1 1 463.559 4.584 50 0 JJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1F ZINC000035684012 569706817 /nfs/dbraw/zinc/70/68/17/569706817.db2.gz GUQVKDYNXRXCPO-QHCPKHFHSA-N -1 1 451.523 4.714 50 0 JJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1 ZINC000086057331 569717167 /nfs/dbraw/zinc/71/71/67/569717167.db2.gz LAOAIBARDGVBPB-KRWDZBQOSA-N -1 1 455.967 4.979 50 0 JJAAMM CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1OCC ZINC000086057585 569717437 /nfs/dbraw/zinc/71/74/37/569717437.db2.gz YZYITTQGBACCNQ-KRWDZBQOSA-N -1 1 485.993 4.987 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086057715 569717512 /nfs/dbraw/zinc/71/75/12/569717512.db2.gz RHKQBKYFDHZHKB-KRWDZBQOSA-N -1 1 483.565 4.719 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)CCc1ccccc1 ZINC000089459595 569718435 /nfs/dbraw/zinc/71/84/35/569718435.db2.gz YXJXDSHQZKHWGF-UHFFFAOYSA-N -1 1 489.391 4.830 50 0 JJAAMM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2CN(Cc2ccccc2F)C1=O ZINC000035887046 569720688 /nfs/dbraw/zinc/72/06/88/569720688.db2.gz DEOKGDAQUQOJME-OAHLLOKOSA-N -1 1 474.941 4.590 50 0 JJAAMM COc1ccc(C)cc1N1C(=O)CS[C@H]1c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035910291 569725545 /nfs/dbraw/zinc/72/55/45/569725545.db2.gz WCXQVPGSFTXDCJ-QHCPKHFHSA-N -1 1 472.563 4.722 50 0 JJAAMM COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OC ZINC000096114047 569733116 /nfs/dbraw/zinc/73/31/16/569733116.db2.gz PAFDTEPYORNILQ-INIZCTEOSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM Cc1cccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccccc6)oc-5c43)c(=O)[nH]c12 ZINC000096115430 569734421 /nfs/dbraw/zinc/73/44/21/569734421.db2.gz CUBQHZDITWMCEI-KRWDZBQOSA-N -1 1 465.461 4.757 50 0 biogenic JJAAMM COc1cccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1O ZINC000100589816 569765408 /nfs/dbraw/zinc/76/54/08/569765408.db2.gz ASBGHHLZRUNYFK-UHFFFAOYSA-N -1 1 482.540 4.980 50 0 JJAAMM COc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000100889127 569774343 /nfs/dbraw/zinc/77/43/43/569774343.db2.gz CITQZOIPEFZMOC-JWQCQUIFSA-N -1 1 466.541 4.857 50 0 JJAAMM Cc1ccc(N2N=C(C(=O)c3ccccc3)[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C32)cc1 ZINC000100893403 569774477 /nfs/dbraw/zinc/77/44/77/569774477.db2.gz QKUJSRDZUJTHIE-FYYLOGMGSA-N -1 1 457.917 4.574 50 0 JJAAMM CSc1ccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1 ZINC000101282026 569788985 /nfs/dbraw/zinc/78/89/85/569788985.db2.gz BGFRSKCLYIAILH-UHFFFAOYSA-N -1 1 454.555 4.779 50 0 JJAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2cccc(O)c2)C1 ZINC000101494873 569800008 /nfs/dbraw/zinc/80/00/08/569800008.db2.gz ZKKMQUNYQZNBLP-OAQYLSRUSA-N -1 1 491.956 4.948 50 0 JJAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@H](c3sccc3C)C2)c1[O-] ZINC000101495401 569800345 /nfs/dbraw/zinc/80/03/45/569800345.db2.gz KUAAUCQNGAZTNJ-FQEVSTJZSA-N -1 1 491.594 4.968 50 0 JJAAMM COc1cc([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc(OC)c1OC ZINC000101495663 569800768 /nfs/dbraw/zinc/80/07/68/569800768.db2.gz QIXZGPJFQBESRB-GOSISDBHSA-N -1 1 485.587 4.532 50 0 JJAAMM COc1ccccc1-n1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O ZINC000101766774 569804749 /nfs/dbraw/zinc/80/47/49/569804749.db2.gz TXDMKSOPZZFJGU-JOCHJYFZSA-N -1 1 489.528 4.737 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)ccc2C)c1 ZINC000040058512 569815207 /nfs/dbraw/zinc/81/52/07/569815207.db2.gz ISUCQICUBHBQDF-IBGZPJMESA-N -1 1 497.642 4.657 50 0 JJAAMM Cc1ccc(C(=O)Nc2nc3ccc([N-]S(=O)(=O)c4ccc5c(c4)CCC(=O)N5)cc3s2)s1 ZINC000040152660 569820272 /nfs/dbraw/zinc/82/02/72/569820272.db2.gz NUJGGXLVSMCFKE-UHFFFAOYSA-N -1 1 498.611 4.604 50 0 JJAAMM CCOC(=O)C(=C([O-])CSc1nc(-c2ccco2)nc2ccccc21)c1nc(C)cs1 ZINC000103035066 569832221 /nfs/dbraw/zinc/83/22/21/569832221.db2.gz MPJFLBMNOAYEEN-GOSISDBHSA-N -1 1 453.545 4.663 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000103212219 569833889 /nfs/dbraw/zinc/83/38/89/569833889.db2.gz JQPZGRRXUSTFPF-WAOWUJCRSA-N -1 1 482.817 4.843 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)N[C@@H]4CCCC[C@@H]4C)C2)nc3=O)cc1 ZINC000049421260 569847141 /nfs/dbraw/zinc/84/71/41/569847141.db2.gz MQWORZVVJBJNOI-HFSMHLIXSA-N -1 1 464.635 4.871 50 0 JJAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NC4CCCCCC4)C2)nc3=O)c1 ZINC000049421341 569847229 /nfs/dbraw/zinc/84/72/29/569847229.db2.gz YWKZPXSYBAQNQR-GOSISDBHSA-N -1 1 480.634 4.716 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCC4CCCCC4)CC2)nc3=O)c1 ZINC000049421396 569847232 /nfs/dbraw/zinc/84/72/32/569847232.db2.gz FYDIRCZFRAFEHK-UHFFFAOYSA-N -1 1 464.635 4.873 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCc4ccccc4C)CC2)nc3=O)c1 ZINC000049421397 569847387 /nfs/dbraw/zinc/84/73/87/569847387.db2.gz QXVAEZHJEFABRO-UHFFFAOYSA-N -1 1 472.614 4.801 50 0 JJAAMM CCOc1ccc(C([O-])=CC(=O)c2c(O)c(I)c(OCC)cc2OCC)cc1 ZINC000108821086 569859643 /nfs/dbraw/zinc/85/96/43/569859643.db2.gz WJXXHLTWKMSHKJ-UHFFFAOYSA-N -1 1 498.313 4.649 50 0 JJAAMM O=C1C[C@@H](Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000113626699 569861961 /nfs/dbraw/zinc/86/19/61/569861961.db2.gz VGZRPTCAUQEWQX-HXUWFJFHSA-N -1 1 472.975 4.565 50 0 JJAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000253412680 570097914 /nfs/dbraw/zinc/09/79/14/570097914.db2.gz RSEMBESAIMMONN-OAHLLOKOSA-N -1 1 462.841 4.989 50 0 JJAAMM COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000253413982 570098362 /nfs/dbraw/zinc/09/83/62/570098362.db2.gz WDFMQHNQYIRVIB-LJQANCHMSA-N -1 1 480.948 4.640 50 0 JJAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1O ZINC000253414614 570098442 /nfs/dbraw/zinc/09/84/42/570098442.db2.gz XZEXDJKODCJEDI-HNNXBMFYSA-N -1 1 464.857 4.974 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccsc3)CC(=O)O4)c2=O)cc1OC ZINC000263585679 570171251 /nfs/dbraw/zinc/17/12/51/570171251.db2.gz LHQHMAQSAROYLN-AWEZNQCLSA-N -1 1 450.468 4.685 50 0 JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccsc2)cc1OC ZINC000263585679 570171252 /nfs/dbraw/zinc/17/12/52/570171252.db2.gz LHQHMAQSAROYLN-AWEZNQCLSA-N -1 1 450.468 4.685 50 0 JJAAMM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(OC)c(OC)c5)coc4c32)cc1 ZINC000263585852 570171338 /nfs/dbraw/zinc/17/13/38/570171338.db2.gz NFYQOZFNMCUXFW-QGZVFWFLSA-N -1 1 474.465 4.632 50 0 JJAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263585852 570171339 /nfs/dbraw/zinc/17/13/39/570171339.db2.gz NFYQOZFNMCUXFW-QGZVFWFLSA-N -1 1 474.465 4.632 50 0 JJAAMM CCOC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000001037245 194007395 /nfs/dbraw/zinc/00/73/95/194007395.db2.gz RQMWHSIXJAGYKG-UHFFFAOYSA-N -1 1 456.486 4.673 50 0 JJAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000001067103 194014925 /nfs/dbraw/zinc/01/49/25/194014925.db2.gz JBEWTJMSPQEOJQ-UHFFFAOYSA-N -1 1 469.009 4.664 50 0 JJAAMM CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000001116542 194030250 /nfs/dbraw/zinc/03/02/50/194030250.db2.gz GHBIVOSXVDNHRC-UHFFFAOYSA-N -1 1 466.559 4.842 50 0 JJAAMM O=S(=O)([N-]c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000001117171 194030458 /nfs/dbraw/zinc/03/04/58/194030458.db2.gz ZHNBKVNGLIQVFB-UHFFFAOYSA-N -1 1 457.360 4.595 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000001146470 194048127 /nfs/dbraw/zinc/04/81/27/194048127.db2.gz WMXNYWZXZRQKIS-UHFFFAOYSA-N -1 1 471.387 4.903 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000001135616 194041953 /nfs/dbraw/zinc/04/19/53/194041953.db2.gz SKWVZMDFVQVHJD-UHFFFAOYSA-N -1 1 492.338 4.653 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)c1 ZINC000001147762 194048891 /nfs/dbraw/zinc/04/88/91/194048891.db2.gz AESZXVFSHREYEL-UHFFFAOYSA-N -1 1 492.338 4.653 50 0 JJAAMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(I)cc3)cc2)c1 ZINC000001153659 194051885 /nfs/dbraw/zinc/05/18/85/194051885.db2.gz DPTUSABUPUIEOT-UHFFFAOYSA-N -1 1 492.338 4.653 50 0 JJAAMM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000001157780 194053481 /nfs/dbraw/zinc/05/34/81/194053481.db2.gz NJKYGACYYLNNHD-UHFFFAOYSA-N -1 1 462.527 4.667 50 0 JJAAMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000001163111 194055914 /nfs/dbraw/zinc/05/59/14/194055914.db2.gz SWOIVJFIBNCBRB-HNNXBMFYSA-N -1 1 459.365 4.741 50 0 JJAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)cc2c1C(=O)OC(C)C ZINC000001926349 194155619 /nfs/dbraw/zinc/15/56/19/194155619.db2.gz IXNAHLCRUOPPQP-UHFFFAOYSA-N -1 1 478.526 4.850 50 0 JJAAMM O=C(Nc1nnc(C2CC2)s1)c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1 ZINC000003255875 194253160 /nfs/dbraw/zinc/25/31/60/194253160.db2.gz AVBMROJCVWJMKZ-UHFFFAOYSA-N -1 1 482.559 4.783 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)OCC(=O)N(c1ccccc1)C(C)C ZINC000003269008 194257614 /nfs/dbraw/zinc/25/76/14/194257614.db2.gz VOBNCXOSLLGXET-UHFFFAOYSA-N -1 1 484.549 4.533 50 0 JJAAMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(SC(F)F)cc1 ZINC000003342235 194291339 /nfs/dbraw/zinc/29/13/39/194291339.db2.gz KVXJSAQMSBDDOU-UHFFFAOYSA-N -1 1 492.525 4.598 50 0 JJAAMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000003361172 194300439 /nfs/dbraw/zinc/30/04/39/194300439.db2.gz AOBFRGCEBWIWJS-UHFFFAOYSA-N -1 1 479.341 4.590 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000003644894 194348214 /nfs/dbraw/zinc/34/82/14/194348214.db2.gz HRKCVWYNQARAKO-UHFFFAOYSA-N -1 1 471.538 4.548 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000012605039 195050288 /nfs/dbraw/zinc/05/02/88/195050288.db2.gz OAMHGHHUBCVGCQ-UHFFFAOYSA-N -1 1 460.502 4.669 50 0 JJAAMM C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Br)cc1 ZINC000012605273 195050620 /nfs/dbraw/zinc/05/06/20/195050620.db2.gz CAGMVEVEBUBKSD-HNNXBMFYSA-N -1 1 491.382 4.809 50 0 JJAAMM CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000012623533 195058435 /nfs/dbraw/zinc/05/84/35/195058435.db2.gz WIIPDTDDEKOCSA-HNNXBMFYSA-N -1 1 488.512 4.512 50 0 JJAAMM O=C(/C=C/C(=O)N1CCCc2ccccc21)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000012640182 195069894 /nfs/dbraw/zinc/06/98/94/195069894.db2.gz PKBWXQCKJQLYHY-BUHFOSPRSA-N -1 1 495.988 4.615 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)c1C ZINC000012776853 195121352 /nfs/dbraw/zinc/12/13/52/195121352.db2.gz LQVZALPYEBYSPN-DEOSSOPVSA-N -1 1 492.597 4.853 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(N[C@H](C)C(=O)Nc3ccccc3)ccc2N2CCCC2)cc1 ZINC000012796189 195136278 /nfs/dbraw/zinc/13/62/78/195136278.db2.gz XBPSGCZMSAPRCQ-LJQANCHMSA-N -1 1 494.617 4.535 50 0 JJAAMM O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012822783 195150080 /nfs/dbraw/zinc/15/00/80/195150080.db2.gz ZKJVXIMRFAKVQM-FQEVSTJZSA-N -1 1 460.527 4.733 50 0 JJAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccccc1 ZINC000020903829 195243767 /nfs/dbraw/zinc/24/37/67/195243767.db2.gz DQKBDHMTPDPWPY-PZJWPPBQSA-N -1 1 460.584 4.926 50 0 JJAAMM O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000021279454 195293040 /nfs/dbraw/zinc/29/30/40/195293040.db2.gz OQZHIDYSGHTJNN-UHFFFAOYSA-N -1 1 478.448 4.530 50 0 JJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1/C=C\c1ccccc1 ZINC000096310151 130057669 /nfs/dbraw/zinc/05/76/69/130057669.db2.gz HINWALXWXDCINB-RPBSFSNWSA-N -1 1 459.571 4.916 50 0 JJAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](c3ccccc3)C(C)C)cc2)cc1 ZINC000012508334 518408967 /nfs/dbraw/zinc/40/89/67/518408967.db2.gz LBOAAUKPHCZOHI-DEOSSOPVSA-N -1 1 450.560 4.817 50 0 JJAAMM CC(C)CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000033138397 519662173 /nfs/dbraw/zinc/66/21/73/519662173.db2.gz JPAFBDMXTZZJFV-UHFFFAOYSA-N -1 1 473.595 4.949 50 0 JJAAMM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)s1 ZINC000033306465 519702277 /nfs/dbraw/zinc/70/22/77/519702277.db2.gz YZEAFKXKMXITQH-QPJJXVBHSA-N -1 1 455.920 4.767 50 0 JJAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000033254026 519838860 /nfs/dbraw/zinc/83/88/60/519838860.db2.gz NHOBMDHGPQMKCS-UHFFFAOYSA-N -1 1 485.650 4.764 50 0 JJAAMM CCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000065059835 519905799 /nfs/dbraw/zinc/90/57/99/519905799.db2.gz VZQJGTBEIGDHAT-UHFFFAOYSA-N -1 1 490.379 4.577 50 0 JJAAMM CCOC(=O)C1=C(NC(=O)C=Cc2c(C)nn(Cc3ccc(C)cc3)c2C)[N-]c2ccccc2N=C1C ZINC000033499323 520506958 /nfs/dbraw/zinc/50/69/58/520506958.db2.gz DFJPEZPTCXITLH-NXVVXOECSA-N -1 1 497.599 4.979 50 0 JJAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2s1 ZINC000033299017 520545896 /nfs/dbraw/zinc/54/58/96/520545896.db2.gz PRTWVITVIUKAAQ-UHFFFAOYSA-N -1 1 452.623 4.514 50 0 JJAAMM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4C)ccc3n2C)cc1 ZINC000033277019 520546187 /nfs/dbraw/zinc/54/61/87/520546187.db2.gz RTMITMGCRXZSEJ-UHFFFAOYSA-N -1 1 476.602 4.832 50 0 JJAAMM CCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000021710825 520673857 /nfs/dbraw/zinc/67/38/57/520673857.db2.gz GJMDDQFOFLERJA-NRFANRHFSA-N -1 1 499.677 4.553 50 0 JJAAMM CCOC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000033292723 520799301 /nfs/dbraw/zinc/79/93/01/520799301.db2.gz VYEBAQYHAZVULH-UHFFFAOYSA-N -1 1 476.554 4.953 50 0 JJAAMM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)s1 ZINC000033306501 521196493 /nfs/dbraw/zinc/19/64/93/521196493.db2.gz SJXHOLUZPLHSSF-VMPITWQZSA-N -1 1 453.492 4.642 50 0 JJAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000008961322 521216763 /nfs/dbraw/zinc/21/67/63/521216763.db2.gz CMWGLRGBUGWIIJ-UHFFFAOYSA-N -1 1 451.504 4.502 50 0 JJAAMM CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1OC ZINC000020463964 521271382 /nfs/dbraw/zinc/27/13/82/521271382.db2.gz QWQAUDHFGWQQKQ-QGZVFWFLSA-N -1 1 451.548 4.664 50 0 JJAAMM CCCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033122349 521337581 /nfs/dbraw/zinc/33/75/81/521337581.db2.gz XHVFYLYTEIPBHE-UHFFFAOYSA-N -1 1 453.593 4.646 50 0 JJAAMM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1C(=O)[O-] ZINC000033253322 521376216 /nfs/dbraw/zinc/37/62/16/521376216.db2.gz SWTZYOKKBRSBIB-UHFFFAOYSA-N -1 1 474.966 4.874 50 0 JJAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(-c2ccc(C(=O)NCC)cc2)n3C)cc1 ZINC000033276955 521412112 /nfs/dbraw/zinc/41/21/12/521412112.db2.gz RHDQMYKRIAXMMX-UHFFFAOYSA-N -1 1 476.602 4.743 50 0 JJAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(=O)C2CC2)cc1 ZINC000033171085 521912408 /nfs/dbraw/zinc/91/24/08/521912408.db2.gz GNHCOQKOPPWLAR-GDNBJRDFSA-N -1 1 451.548 4.865 50 0 JJAAMM CCc1nnc2c(Oc3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)nc3ccccc3n12 ZINC000065000977 522797047 /nfs/dbraw/zinc/79/70/47/522797047.db2.gz DPZMXEFLSQFONS-UHFFFAOYSA-N -1 1 459.531 4.741 50 0 JJAAMM COCCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)nc1 ZINC000033138603 523368255 /nfs/dbraw/zinc/36/82/55/523368255.db2.gz SHQLDBALEBFGBW-UHFFFAOYSA-N -1 1 499.658 4.923 50 0 JJAAMM CCc1cc(Sc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)n2nc(C)nc2n1 ZINC000033276043 523842053 /nfs/dbraw/zinc/84/20/53/523842053.db2.gz JCOOJIGDGQRHQX-UHFFFAOYSA-N -1 1 479.631 4.826 50 0 JJAAMM COCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)nc1 ZINC000033138439 523925835 /nfs/dbraw/zinc/92/58/35/523925835.db2.gz NJLSBQBIWCKXEJ-UHFFFAOYSA-N -1 1 499.658 4.608 50 0 JJAAMM Cc1cccc(C(C)C)c1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000008596393 524239603 /nfs/dbraw/zinc/23/96/03/524239603.db2.gz GBCIHARMBWTHFU-QFIPXVFZSA-N -1 1 480.615 4.781 50 0 JJAAMM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2cc(C(F)(F)F)n[nH]2)sc1C ZINC000033299314 524245273 /nfs/dbraw/zinc/24/52/73/524245273.db2.gz BLKLGVKVQFHREM-UHFFFAOYSA-N -1 1 451.879 4.928 50 0 JJAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4nsnc43)c2)c1C ZINC000033170540 524254016 /nfs/dbraw/zinc/25/40/16/524254016.db2.gz DPEOJIQNOMMXKH-UHFFFAOYSA-N -1 1 466.588 4.978 50 0 JJAAMM COc1ccc(F)c(CNc2cc(C(=O)NC3CCCC3)cc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000014747164 524284460 /nfs/dbraw/zinc/28/44/60/524284460.db2.gz IATSSGWAUJEFOA-UHFFFAOYSA-N -1 1 497.592 4.920 50 0 JJAAMM C[C@H](CNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)c1ccccc1 ZINC000049421189 524438740 /nfs/dbraw/zinc/43/87/40/524438740.db2.gz ITTVGGUGVHSEDY-WIYYLYMNSA-N -1 1 472.614 4.788 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c2)c1 ZINC000016172873 524692618 /nfs/dbraw/zinc/69/26/18/524692618.db2.gz RTTIBZYHKZHQCU-UHFFFAOYSA-N -1 1 483.977 4.594 50 0 JJAAMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(CC[NH+]3CCCCC3)CC2)c1 ZINC000033254088 524805842 /nfs/dbraw/zinc/80/58/42/524805842.db2.gz GKXNVQTYTNDXIA-UHFFFAOYSA-N -1 1 485.650 4.586 50 0 JJAAMM COc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000016362137 524866015 /nfs/dbraw/zinc/86/60/15/524866015.db2.gz AMZOKWFVFKDADU-UHFFFAOYSA-N -1 1 454.548 4.682 50 0 JJAAMM Cc1ccccc1C(=O)Nc1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078669 525062865 /nfs/dbraw/zinc/06/28/65/525062865.db2.gz MBDVBJHROHFCFI-UHFFFAOYSA-N -1 1 493.991 4.800 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)cc1Cl ZINC000048310836 525082298 /nfs/dbraw/zinc/08/22/98/525082298.db2.gz OWFRCPODRABGLE-CQSZACIVSA-N -1 1 497.404 4.816 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)cc1 ZINC000016310489 525596814 /nfs/dbraw/zinc/59/68/14/525596814.db2.gz LDXQMRQPGQXIDR-UHFFFAOYSA-N -1 1 484.021 4.720 50 0 JJAAMM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)n(C)c(=O)n3C)cc1 ZINC000045941115 525670829 /nfs/dbraw/zinc/67/08/29/525670829.db2.gz KRAACZLCRHFSCL-UHFFFAOYSA-N -1 1 467.616 4.754 50 0 JJAAMM Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000012464328 525986841 /nfs/dbraw/zinc/98/68/41/525986841.db2.gz ZQIBKVFCGKFUHN-OAHLLOKOSA-N -1 1 478.521 4.629 50 0 JJAAMM Cc1ccc([C@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(=O)C(C)C)o1 ZINC000046085328 525987194 /nfs/dbraw/zinc/98/71/94/525987194.db2.gz AAVCFUHOPISMPK-JOCHJYFZSA-N -1 1 451.548 4.723 50 0 JJAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 ZINC000033062911 526243810 /nfs/dbraw/zinc/24/38/10/526243810.db2.gz BIQOWBCFZLCZBZ-UHFFFAOYSA-N -1 1 483.565 4.584 50 0 JJAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(C(=O)NC4CCCC4)cn3)cc2)c1 ZINC000033138395 526244272 /nfs/dbraw/zinc/24/42/72/526244272.db2.gz IKHDBSHAVNDHJV-UHFFFAOYSA-N -1 1 483.615 4.715 50 0 JJAAMM Cc1nnc2ccc(-c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)c(Br)c(C)c4)c3)nn12 ZINC000033269725 526411348 /nfs/dbraw/zinc/41/13/48/526411348.db2.gz KBYVXTCAMYAADB-UHFFFAOYSA-N -1 1 486.395 4.588 50 0 JJAAMM O=C(NCCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000033274588 526421803 /nfs/dbraw/zinc/42/18/03/526421803.db2.gz SVVZHSBJNSGSPU-UHFFFAOYSA-N -1 1 499.430 4.640 50 0 JJAAMM Cc1nc(-c2ccccc2)sc1-c1cc(=O)[n-]c(SCC(=O)NCc2ccccc2Cl)n1 ZINC000033170068 526600682 /nfs/dbraw/zinc/60/06/82/526600682.db2.gz VWYKRLGSRCECFP-UHFFFAOYSA-N -1 1 483.018 4.931 50 0 JJAAMM O=C(NCc1cccc(Cl)c1)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421076 526714243 /nfs/dbraw/zinc/71/42/43/526714243.db2.gz RTAIVZBGOUKEAI-UHFFFAOYSA-N -1 1 496.995 4.977 50 0 JJAAMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)Nc1ccccc1SC(F)F 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/nfs/dbraw/zinc/71/56/78/553715678.db2.gz ALENYTRTZNRUCM-UHFFFAOYSA-N -1 1 464.996 4.867 50 0 JJAAMM CCC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C[C@@H]1c1ccco1 ZINC000000645068 553726033 /nfs/dbraw/zinc/72/60/33/553726033.db2.gz ZYGMWLRPAAZPKN-HXUWFJFHSA-N -1 1 457.939 4.822 50 0 JJAAMM CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)c(Cl)c(Br)c1[O-] ZINC000000679289 553752473 /nfs/dbraw/zinc/75/24/73/553752473.db2.gz SLEBEBOAGOAPBI-KRWDZBQOSA-N -1 1 496.814 4.638 50 0 JJAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000000844927 553795043 /nfs/dbraw/zinc/79/50/43/553795043.db2.gz XRDWTCLVUSOYNV-UHFFFAOYSA-N -1 1 473.348 4.705 50 0 JJAAMM CC(=O)c1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000000879735 553816157 /nfs/dbraw/zinc/81/61/57/553816157.db2.gz CVIUWNNNZFYDOF-UHFFFAOYSA-N -1 1 496.610 4.807 50 0 JJAAMM COCc1oc2c(cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)c1C(=O)OC ZINC000002480695 554226177 /nfs/dbraw/zinc/22/61/77/554226177.db2.gz CNFZUWJLGYNNTN-UHFFFAOYSA-N -1 1 459.907 4.973 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Br)cc3)c2)c(C)c1 ZINC000008436850 554588022 /nfs/dbraw/zinc/58/80/22/554588022.db2.gz YMFDETCUQCKWPD-UHFFFAOYSA-N -1 1 480.405 4.700 50 0 JJAAMM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000008740407 554642647 /nfs/dbraw/zinc/64/26/47/554642647.db2.gz CGBMNTFDANGFBQ-NZQKXSOJSA-N -1 1 478.346 4.593 50 0 biogenic JJAAMM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000008740408 554642658 /nfs/dbraw/zinc/64/26/58/554642658.db2.gz CGBMNTFDANGFBQ-OFNKIYASSA-N -1 1 478.346 4.593 50 0 biogenic JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1Cl ZINC000008840688 554739990 /nfs/dbraw/zinc/73/99/90/554739990.db2.gz MWHSSOCZFPCSSM-UHFFFAOYSA-N -1 1 456.951 4.629 50 0 JJAAMM O=C1N[C@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915316 554808835 /nfs/dbraw/zinc/80/88/35/554808835.db2.gz OHNOHZYIEIIUNQ-CKEIUWERSA-N -1 1 467.658 4.751 50 0 JJAAMM O=C1N[C@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915315 554808904 /nfs/dbraw/zinc/80/89/04/554808904.db2.gz OHNOHZYIEIIUNQ-JJRVBVJISA-N -1 1 467.658 4.751 50 0 JJAAMM Cc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1NC(=O)NC(=O)c1ccccc1Cl ZINC000008934230 554828599 /nfs/dbraw/zinc/82/85/99/554828599.db2.gz VRZCAYZFVLNTBS-UHFFFAOYSA-N -1 1 454.754 4.923 50 0 JJAAMM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000009096301 554894611 /nfs/dbraw/zinc/89/46/11/554894611.db2.gz OVKCNAZVFYGXON-HNNXBMFYSA-N -1 1 494.491 4.921 50 0 JJAAMM COc1ccc(-c2nc(N(Cc3ccccc3)C(=O)CSc3nc(C)cc(=O)[n-]3)sc2C)cc1 ZINC000009112975 554900231 /nfs/dbraw/zinc/90/02/31/554900231.db2.gz AJWRGXQKHDIXDF-UHFFFAOYSA-N -1 1 492.626 4.844 50 0 JJAAMM Cc1ccc(O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[O-])cc1 ZINC000009120254 554912770 /nfs/dbraw/zinc/91/27/70/554912770.db2.gz YOIKWTIQZVIBMT-HNNXBMFYSA-N -1 1 460.939 4.561 50 0 JJAAMM COc1ccc2c(Cl)c(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3[O-])sc2c1 ZINC000009139205 554934129 /nfs/dbraw/zinc/93/41/29/554934129.db2.gz MCFZJTRPTGLSER-UHFFFAOYSA-N -1 1 480.995 4.696 50 0 JJAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000009378626 555140211 /nfs/dbraw/zinc/14/02/11/555140211.db2.gz QWJGVCRXMIBBBB-UHFFFAOYSA-N -1 1 496.560 4.593 50 0 JJAAMM COc1cccc(NC(=O)c2sc3[n-]c(-c4cc5cc(Cl)ccc5oc4=O)nc(=O)c3c2C)c1 ZINC000009405641 555164900 /nfs/dbraw/zinc/16/49/00/555164900.db2.gz XRDQLPULDURHDE-UHFFFAOYSA-N -1 1 493.928 4.981 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccc(OCc4cscn4)cc3)c2)cc1 ZINC000009468089 555247024 /nfs/dbraw/zinc/24/70/24/555247024.db2.gz KSRGHRXREBIKSP-UHFFFAOYSA-N -1 1 495.582 4.784 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(S[C@@H](C(=O)N(C)C)c4ccccc4)nc3c2)cc1 ZINC000009468228 555247482 /nfs/dbraw/zinc/24/74/82/555247482.db2.gz LJWBTVKUDQUXAP-JOCHJYFZSA-N -1 1 497.598 4.559 50 0 JJAAMM O=c1[n-]c(=S)n(Cc2ccncc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2 ZINC000009487385 555263338 /nfs/dbraw/zinc/26/33/38/555263338.db2.gz OLDRKWSLAMLTBJ-UHFFFAOYSA-N -1 1 485.413 4.541 50 0 JJAAMM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1OCC ZINC000009491489 555269129 /nfs/dbraw/zinc/26/91/29/555269129.db2.gz JINNLQCYPZMVFG-KRWDZBQOSA-N -1 1 486.565 4.915 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)c2)cc1 ZINC000009514424 555304939 /nfs/dbraw/zinc/30/49/39/555304939.db2.gz NOMCQQXXHNHKBX-UHFFFAOYSA-N -1 1 491.525 4.594 50 0 JJAAMM COc1ccc(Cc2nnc(SCC(=O)c3ccc([O-])cc3O)n2C2CCCCC2)cc1OC ZINC000009562615 555363961 /nfs/dbraw/zinc/36/39/61/555363961.db2.gz HOVBWDBJYBGKDI-UHFFFAOYSA-N -1 1 483.590 4.778 50 0 JJAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1 ZINC000009685408 555414234 /nfs/dbraw/zinc/41/42/34/555414234.db2.gz DRKORSCOIIFRDH-UHFFFAOYSA-N -1 1 454.548 4.609 50 0 JJAAMM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000009707411 555430300 /nfs/dbraw/zinc/43/03/00/555430300.db2.gz UPBMIHREFKHLMT-UHFFFAOYSA-N -1 1 459.449 4.514 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013526591 555487506 /nfs/dbraw/zinc/48/75/06/555487506.db2.gz ZEQPMCDXAUYEEV-UHFFFAOYSA-N -1 1 458.605 4.514 50 0 JJAAMM Cc1nc2ccccc2c(=O)n1-c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000010186583 555640092 /nfs/dbraw/zinc/64/00/92/555640092.db2.gz XVGDPIIHTVXVFR-UHFFFAOYSA-N -1 1 478.332 4.941 50 0 JJAAMM O=C(C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O)N1CCC(Cc2ccccc2)CC1 ZINC000013942709 555653930 /nfs/dbraw/zinc/65/39/30/555653930.db2.gz KFTJSSNRLQQQGM-XMMPIXPASA-N -1 1 466.940 4.546 50 0 JJAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)nc1[O-] ZINC000020134624 555659105 /nfs/dbraw/zinc/65/91/05/555659105.db2.gz RMWSCUYYDCXBHU-VWNXMTODSA-N -1 1 484.581 4.873 50 0 JJAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)nc1[O-] ZINC000020134636 555659401 /nfs/dbraw/zinc/65/94/01/555659401.db2.gz RMWSCUYYDCXBHU-LADGPHEKSA-N -1 1 484.581 4.873 50 0 JJAAMM O=S(=O)([N-]c1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)c1ccc2ccccc2c1 ZINC000014057810 555675045 /nfs/dbraw/zinc/67/50/45/555675045.db2.gz WOIBHKIPPSOYJR-UHFFFAOYSA-N -1 1 478.537 4.807 50 0 JJAAMM CC(=O)c1cccc(NC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000014121291 555694558 /nfs/dbraw/zinc/69/45/58/555694558.db2.gz OKYVPJRJDTVBPH-SFHVURJKSA-N -1 1 457.379 4.528 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc2)cc1 ZINC000010503906 555721568 /nfs/dbraw/zinc/72/15/68/555721568.db2.gz RISAQIYATYVDDJ-FQEVSTJZSA-N -1 1 474.586 4.692 50 0 JJAAMM CC(C)[C@H](NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1)c1cccs1 ZINC000010853085 555743565 /nfs/dbraw/zinc/74/35/65/555743565.db2.gz HRMLYPXXMNRYKT-IRLDBZIGSA-N -1 1 498.674 4.688 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3csc(-c4ccccc4)n3)c2)cc1 ZINC000010893985 555745831 /nfs/dbraw/zinc/74/58/31/555745831.db2.gz BFINEHCWVSGBIE-UHFFFAOYSA-N -1 1 479.583 4.550 50 0 JJAAMM CCn1c(C)nc2cc([N-]S(=O)(=O)c3ccccc3)cc(C(=O)N3CCCCCCC3)c21 ZINC000011785282 555817456 /nfs/dbraw/zinc/81/74/56/555817456.db2.gz YGBLYRRRVMJYLT-UHFFFAOYSA-N -1 1 454.596 4.572 50 0 JJAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Cl)cc2Cl)[n-]c(=O)c1C ZINC000011854921 555836701 /nfs/dbraw/zinc/83/67/01/555836701.db2.gz PVQBMJAZKVOBCX-UHFFFAOYSA-N -1 1 460.346 4.860 50 0 JJAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)[n-]c(=O)c1Cc1ccccc1 ZINC000011855480 555836940 /nfs/dbraw/zinc/83/69/40/555836940.db2.gz MRVFGVUOGXFUSH-UHFFFAOYSA-N -1 1 499.571 4.904 50 0 JJAAMM CC(C)c1ccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000011855620 555837124 /nfs/dbraw/zinc/83/71/24/555837124.db2.gz YPCXHLPTUDJRKC-UHFFFAOYSA-N -1 1 477.590 4.948 50 0 JJAAMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O)Nc1cccc2ccccc21 ZINC000015008780 555852982 /nfs/dbraw/zinc/85/29/82/555852982.db2.gz NMEYCUZLPKCPRS-YBFXNURJSA-N -1 1 483.343 4.983 50 0 JJAAMM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)c3ccccc3[O-])c2cc1OC ZINC000015108337 555877976 /nfs/dbraw/zinc/87/79/76/555877976.db2.gz PFVWQKSBSMHSSV-UHFFFAOYSA-N -1 1 474.513 4.818 50 0 JJAAMM O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[n-]1)CCCC2)C(c1ccccc1)c1ccccc1 ZINC000012010463 555884639 /nfs/dbraw/zinc/88/46/39/555884639.db2.gz LMSDSBKSEJUKPQ-UHFFFAOYSA-N -1 1 491.551 4.865 50 0 JJAAMM O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)Nc1cccc(F)c1 ZINC000012112491 555908807 /nfs/dbraw/zinc/90/88/07/555908807.db2.gz TWXRPMWHRUWDKP-UHFFFAOYSA-N -1 1 467.547 4.779 50 0 JJAAMM CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000015705132 555952939 /nfs/dbraw/zinc/95/29/39/555952939.db2.gz ZQYFSKURLXCQRV-UHFFFAOYSA-N -1 1 457.939 4.660 50 0 JJAAMM COc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015739272 555983637 /nfs/dbraw/zinc/98/36/37/555983637.db2.gz SQYOCILZIJUWLG-UHFFFAOYSA-N -1 1 465.358 4.733 50 0 JJAAMM Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000012532585 556003392 /nfs/dbraw/zinc/00/33/92/556003392.db2.gz GREABCONLWNEQG-UHFFFAOYSA-N -1 1 474.586 4.562 50 0 JJAAMM COc1cc(OC)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1Cl ZINC000012548508 556026821 /nfs/dbraw/zinc/02/68/21/556026821.db2.gz BKSKWWICTZLRSK-UHFFFAOYSA-N -1 1 460.939 4.719 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)Cc3ccccc3)c2)cc1Br ZINC000012548534 556026856 /nfs/dbraw/zinc/02/68/56/556026856.db2.gz CJWWKDBYIBOFRI-UHFFFAOYSA-N -1 1 489.391 4.830 50 0 JJAAMM O=C(NCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000015869463 556048761 /nfs/dbraw/zinc/04/87/61/556048761.db2.gz PPMKINGDRYJXQJ-UHFFFAOYSA-N -1 1 485.403 4.598 50 0 JJAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000015870190 556049682 /nfs/dbraw/zinc/04/96/82/556049682.db2.gz DZGSKLDAZQDTII-UHFFFAOYSA-N -1 1 480.571 4.698 50 0 JJAAMM Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000015870516 556050598 /nfs/dbraw/zinc/05/05/98/556050598.db2.gz KKWDQWSWFGKLPR-UHFFFAOYSA-N -1 1 470.392 4.922 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)c2)cc1C ZINC000012561009 556053785 /nfs/dbraw/zinc/05/37/85/556053785.db2.gz IYFDMRALBTUQJV-QFIPXVFZSA-N -1 1 485.631 4.559 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCCOc4ccc(OC)cc4)nc3c2)cc1 ZINC000012578675 556077664 /nfs/dbraw/zinc/07/76/64/556077664.db2.gz JIXARIGIQATYME-UHFFFAOYSA-N -1 1 486.571 4.817 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)c(C)c3)c2)cc1 ZINC000012581645 556079407 /nfs/dbraw/zinc/07/94/07/556079407.db2.gz HXBCBUTZTMQUBI-UHFFFAOYSA-N -1 1 475.364 4.819 50 0 JJAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1c(Cl)nc2sccn21 ZINC000012584617 556082004 /nfs/dbraw/zinc/08/20/04/556082004.db2.gz CXLVAMIWBDLDQK-UHFFFAOYSA-N -1 1 467.359 4.756 50 0 JJAAMM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012942620 556155535 /nfs/dbraw/zinc/15/55/35/556155535.db2.gz RAEOMNHKYFUWPR-UHFFFAOYSA-N -1 1 459.351 4.624 50 0 JJAAMM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000012994360 556186776 /nfs/dbraw/zinc/18/67/76/556186776.db2.gz VTXAJUWYDZPGKJ-XMMPIXPASA-N -1 1 493.560 4.838 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3occc3C)ccc2N2CCCCC2)cc1 ZINC000016963223 556191594 /nfs/dbraw/zinc/19/15/94/556191594.db2.gz BPOTYSAQJGYFMS-UHFFFAOYSA-N -1 1 469.563 4.640 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](c3nccn3C)c3ccc(Cl)cc3)cc2)cc1 ZINC000016975042 556193477 /nfs/dbraw/zinc/19/34/77/556193477.db2.gz MFPVMVAXLCJWLO-HSZRJFAPSA-N -1 1 495.004 4.702 50 0 JJAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)cc(Cl)c2OC(F)F)c1 ZINC000025324011 556208802 /nfs/dbraw/zinc/20/88/02/556208802.db2.gz VLEVVDVUMUFWQH-UHFFFAOYSA-N -1 1 483.320 4.583 50 0 JJAAMM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000017113022 556217913 /nfs/dbraw/zinc/21/79/13/556217913.db2.gz LSFOSRUXVOFNDJ-UHFFFAOYSA-N -1 1 477.586 4.675 50 0 JJAAMM O=C(Cc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000025599066 556227102 /nfs/dbraw/zinc/22/71/02/556227102.db2.gz NJVSLWQRXMGFNU-UHFFFAOYSA-N -1 1 451.331 4.681 50 0 JJAAMM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c2c[nH]c3ccccc32)c1OC ZINC000013042377 556249250 /nfs/dbraw/zinc/24/92/50/556249250.db2.gz SQOSBMOLPXANTG-QGZVFWFLSA-N -1 1 490.503 4.713 50 0 JJAAMM COc1cc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)ccc1OC(F)F ZINC000017958288 556272897 /nfs/dbraw/zinc/27/28/97/556272897.db2.gz CDCWGVDMTMJKOH-UHFFFAOYSA-N -1 1 494.491 4.509 50 0 JJAAMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCCSCc1ccc(Br)s1 ZINC000018161460 556296609 /nfs/dbraw/zinc/29/66/09/556296609.db2.gz PEUAIGNTSTYDRU-UHFFFAOYSA-N -1 1 475.484 4.543 50 0 JJAAMM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)nc1 ZINC000027644829 556301733 /nfs/dbraw/zinc/30/17/33/556301733.db2.gz VKERQACZQCGWFJ-UHFFFAOYSA-N -1 1 450.347 4.679 50 0 JJAAMM O=C(Nc1cccc(C(F)(F)F)c1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000018707810 556323823 /nfs/dbraw/zinc/32/38/23/556323823.db2.gz HQLRHKVNNUHHRX-UHFFFAOYSA-N -1 1 489.475 4.643 50 0 JJAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 ZINC000029237559 556349493 /nfs/dbraw/zinc/34/94/93/556349493.db2.gz YLCYRYNKGGJGKV-UHFFFAOYSA-N -1 1 479.587 4.840 50 0 JJAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCn2c3ccccc3nc21 ZINC000030651002 556369464 /nfs/dbraw/zinc/36/94/64/556369464.db2.gz VFJHREAMIFQQDY-UHFFFAOYSA-N -1 1 486.475 4.516 50 0 JJAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)Nc1ccc(F)c(F)c1 ZINC000032948561 556564340 /nfs/dbraw/zinc/56/43/40/556564340.db2.gz PGGVQVGAUCPLIO-UHFFFAOYSA-N -1 1 462.528 4.514 50 0 JJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(CN4CCCCC4=O)c3)cc2)c1 ZINC000062577287 569611511 /nfs/dbraw/zinc/61/15/11/569611511.db2.gz WUONRLRGALEJPB-UHFFFAOYSA-N -1 1 491.613 4.869 50 0 JJAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2C)s1 ZINC000033007693 569615613 /nfs/dbraw/zinc/61/56/13/569615613.db2.gz BPIBOWGEGUDDRN-UHFFFAOYSA-N -1 1 454.371 4.517 50 0 JJAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(OC)c2)cc1 ZINC000033008005 569615825 /nfs/dbraw/zinc/61/58/25/569615825.db2.gz JMJJRQMSRROQBD-UHFFFAOYSA-N -1 1 467.572 4.920 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(OC)c2)cc1 ZINC000033008012 569615852 /nfs/dbraw/zinc/61/58/52/569615852.db2.gz YORHRDSXLXPWDA-UHFFFAOYSA-N -1 1 483.571 4.757 50 0 JJAAMM O=c1cc(CSc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000033026152 569621021 /nfs/dbraw/zinc/62/10/21/569621021.db2.gz FPGAQBDOZMLPCV-UHFFFAOYSA-N -1 1 475.954 4.580 50 0 JJAAMM CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c1)NC(=O)CCC2=O ZINC000065011112 569648068 /nfs/dbraw/zinc/64/80/68/569648068.db2.gz ABWRPGSPGUJTPT-UHFFFAOYSA-N -1 1 480.590 4.601 50 0 JJAAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)n(C)c1C ZINC000065036466 569653420 /nfs/dbraw/zinc/65/34/20/569653420.db2.gz IEWVOVKYCZZZMB-UHFFFAOYSA-N -1 1 486.663 4.673 50 0 JJAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CC3)c2)cc1 ZINC000065059900 569655212 /nfs/dbraw/zinc/65/52/12/569655212.db2.gz SCJIQVAHBJQDEN-UHFFFAOYSA-N -1 1 465.575 4.765 50 0 JJAAMM CCCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000065063607 569657005 /nfs/dbraw/zinc/65/70/05/569657005.db2.gz PRRFEHSYIZBGOU-UHFFFAOYSA-N -1 1 459.955 4.858 50 0 JJAAMM O=S(=O)([N-]c1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccc(Cl)cc1 ZINC000065096397 569660886 /nfs/dbraw/zinc/66/08/86/569660886.db2.gz ZFDAFRUOFVAFJU-UHFFFAOYSA-N -1 1 451.895 4.524 50 0 JJAAMM CC(C)c1ccccc1NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291662 569685885 /nfs/dbraw/zinc/68/58/85/569685885.db2.gz JFTWJQQANKCGTO-UHFFFAOYSA-N -1 1 466.582 4.734 50 0 JJAAMM O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)OC(=C([O-])c2cccs2)c2cccs2)C1 ZINC000069375478 569692800 /nfs/dbraw/zinc/69/28/00/569692800.db2.gz SUTSSHQGTQNDJR-MHECFPHRSA-N -1 1 483.611 4.985 50 0 JJAAMM CCOc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1C(=O)CC ZINC000035684020 569706828 /nfs/dbraw/zinc/70/68/28/569706828.db2.gz XTFMYIQLGZHOFL-DEOSSOPVSA-N -1 1 477.586 4.974 50 0 JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000085875572 569715886 /nfs/dbraw/zinc/71/58/86/569715886.db2.gz LZYUOQSKGUSALV-KRWDZBQOSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1OC ZINC000086057354 569717123 /nfs/dbraw/zinc/71/71/23/569717123.db2.gz MEXBUPCRDFTHSN-INIZCTEOSA-N -1 1 485.993 4.987 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057208 569717155 /nfs/dbraw/zinc/71/71/55/569717155.db2.gz MTTYGXFJICOXMW-SFHVURJKSA-N -1 1 465.575 4.641 50 0 JJAAMM CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1OCC ZINC000086057296 569717199 /nfs/dbraw/zinc/71/71/99/569717199.db2.gz SNKGUDPKZBFIFO-GOSISDBHSA-N -1 1 465.575 4.642 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086057322 569717203 /nfs/dbraw/zinc/71/72/03/569717203.db2.gz OBZXBLPZUMYMAB-IBGZPJMESA-N -1 1 479.602 4.888 50 0 JJAAMM CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1OCC ZINC000086057172 569717211 /nfs/dbraw/zinc/71/72/11/569717211.db2.gz BLOXJEYNQAEFLM-SFHVURJKSA-N -1 1 465.575 4.642 50 0 JJAAMM CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000086057772 569717604 /nfs/dbraw/zinc/71/76/04/569717604.db2.gz NBEVBNHGJVXTAE-SFHVURJKSA-N -1 1 453.539 4.854 50 0 JJAAMM O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000096114296 569733482 /nfs/dbraw/zinc/73/34/82/569733482.db2.gz IEOGBPONBHGDBB-MRXNPFEDSA-N -1 1 452.418 4.713 50 0 biogenic JJAAMM COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096114536 569733563 /nfs/dbraw/zinc/73/35/63/569733563.db2.gz LDXCOKRPSXMUJX-SFHVURJKSA-N -1 1 496.475 4.711 50 0 biogenic JJAAMM COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096114536 569733564 /nfs/dbraw/zinc/73/35/64/569733564.db2.gz LDXCOKRPSXMUJX-SFHVURJKSA-N -1 1 496.475 4.711 50 0 biogenic JJAAMM Cc1ccc2occ([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(O)cc6)coc-5c43)c(=O)c2c1 ZINC000096114783 569733862 /nfs/dbraw/zinc/73/38/62/569733862.db2.gz NYMNAARJAWTVJU-MRXNPFEDSA-N -1 1 482.444 4.727 50 0 biogenic JJAAMM O=C1C[C@H](C2=Cc3ccccc3OC2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115870 569734942 /nfs/dbraw/zinc/73/49/42/569734942.db2.gz XZNXZUYXAILVAB-GOSISDBHSA-N -1 1 454.434 4.740 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000096115870 569734943 /nfs/dbraw/zinc/73/49/43/569734943.db2.gz XZNXZUYXAILVAB-GOSISDBHSA-N -1 1 454.434 4.740 50 0 biogenic JJAAMM COc1ccc2occ([C@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccccc6)oc-5c43)c(=O)c2c1 ZINC000096115991 569735123 /nfs/dbraw/zinc/73/51/23/569735123.db2.gz SJAYSISSMATSJC-MRXNPFEDSA-N -1 1 482.444 4.722 50 0 biogenic JJAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)ccc1OC(F)F ZINC000096117437 569735737 /nfs/dbraw/zinc/73/57/37/569735737.db2.gz RHCJLXXLEAAYNB-CXAGYDPISA-N -1 1 453.511 4.803 50 0 JJAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1O ZINC000100535428 569763872 /nfs/dbraw/zinc/76/38/72/569763872.db2.gz GMQZJWYRVYJDFC-UHFFFAOYSA-N -1 1 452.514 4.972 50 0 JJAAMM COc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(CCc3ccccc3)c2=O)=Nc2ccccc2S1 ZINC000101401868 569796493 /nfs/dbraw/zinc/79/64/93/569796493.db2.gz IMLLGHAXMLMXFJ-XMMPIXPASA-N -1 1 499.592 4.851 50 0 JJAAMM COc1ccc(OC)c([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)c1 ZINC000101495603 569800559 /nfs/dbraw/zinc/80/05/59/569800559.db2.gz KLGZDGODXLWTOY-GOSISDBHSA-N -1 1 455.561 4.524 50 0 JJAAMM COc1cc([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc(OC)c1OC ZINC000101495660 569800568 /nfs/dbraw/zinc/80/05/68/569800568.db2.gz QIXZGPJFQBESRB-SFHVURJKSA-N -1 1 485.587 4.532 50 0 JJAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1OC ZINC000101495525 569800752 /nfs/dbraw/zinc/80/07/52/569800752.db2.gz PUPXBROTWRPGTD-GOSISDBHSA-N -1 1 455.561 4.524 50 0 JJAAMM O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C1=Nc2ccccc2S[C@H](c2ccc(O)cc2)C1 ZINC000101766729 569804669 /nfs/dbraw/zinc/80/46/69/569804669.db2.gz OSHDZICUJCRORW-NRFANRHFSA-N -1 1 491.956 4.948 50 0 JJAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2ccc(O)cc2)C1 ZINC000101766867 569805004 /nfs/dbraw/zinc/80/50/04/569805004.db2.gz UMSIGVHAPCUAOE-OAQYLSRUSA-N -1 1 491.956 4.948 50 0 JJAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2cccnc2)C1 ZINC000101766880 569805079 /nfs/dbraw/zinc/80/50/79/569805079.db2.gz AVFNOTYEDFMLBO-HXUWFJFHSA-N -1 1 476.945 4.638 50 0 JJAAMM COc1ccc([C@H](C)NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc1OC ZINC000101827978 569805512 /nfs/dbraw/zinc/80/55/12/569805512.db2.gz MISRYPRHBMDCEU-SFHVURJKSA-N -1 1 496.567 4.944 50 0 JJAAMM COc1ccc([C@@H](C)NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1OC ZINC000101828214 569805543 /nfs/dbraw/zinc/80/55/43/569805543.db2.gz LOQRKFZVJVLXMV-QGZVFWFLSA-N -1 1 482.540 4.635 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(OC)c3)C(=O)c3cccc(Cl)c3)nn2c1=O ZINC000101878653 569806836 /nfs/dbraw/zinc/80/68/36/569806836.db2.gz WDRILHOTLFRXLW-UHFFFAOYSA-N -1 1 479.968 4.578 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)ccc2C)c1 ZINC000040058509 569815177 /nfs/dbraw/zinc/81/51/77/569815177.db2.gz ISUCQICUBHBQDF-LJQANCHMSA-N -1 1 497.642 4.657 50 0 JJAAMM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)c1 ZINC000102707400 569816567 /nfs/dbraw/zinc/81/65/67/569816567.db2.gz NXNRZMZYTUWXGY-UODIDJSMSA-N -1 1 450.494 4.900 50 0 JJAAMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)cc1 ZINC000040156325 569821183 /nfs/dbraw/zinc/82/11/83/569821183.db2.gz SSAIVQHQUZDFMJ-UHFFFAOYSA-N -1 1 455.923 4.701 50 0 JJAAMM CN(C)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(/C=C/c3ccc4ccccc4n3)cc2)c1 ZINC000040158613 569822149 /nfs/dbraw/zinc/82/21/49/569822149.db2.gz BAXDZJVTTFQJMI-UKTHLTGXSA-N -1 1 473.554 4.613 50 0 JJAAMM COc1cc(-c2noc(CSc3nc(-c4ccc(C(C)C)cc4)cc(=O)[n-]3)n2)cc(OC)c1OC ZINC000040454497 569829385 /nfs/dbraw/zinc/82/93/85/569829385.db2.gz DOFZVOMXGCVUBL-UHFFFAOYSA-N -1 1 494.573 4.928 50 0 JJAAMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc2C(=C2CCCC2)C1=O ZINC000045895215 569840065 /nfs/dbraw/zinc/84/00/65/569840065.db2.gz JRCASGKTZPGPNV-UHFFFAOYSA-N -1 1 452.454 4.690 50 0 JJAAMM O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421192 569846820 /nfs/dbraw/zinc/84/68/20/569846820.db2.gz UEIOIXIUVZRBHZ-IBGZPJMESA-N -1 1 493.032 4.880 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCc4ccccc4C)C2)nc3=O)cc1 ZINC000049421310 569847028 /nfs/dbraw/zinc/84/70/28/569847028.db2.gz FRLXKDHGRDELGM-NRFANRHFSA-N -1 1 472.614 4.801 50 0 JJAAMM COc1cccc(CNC(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccc(C)cc5)c4[n-]3)C2)c1 ZINC000049421278 569847101 /nfs/dbraw/zinc/84/71/01/569847101.db2.gz LJATURMLGXDDSP-FQEVSTJZSA-N -1 1 488.613 4.501 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NC4CCCCC4)C2)nc3=O)cc1 ZINC000049421259 569847131 /nfs/dbraw/zinc/84/71/31/569847131.db2.gz MPIITKAUJOPEHH-GOSISDBHSA-N -1 1 450.608 4.625 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NC4CCCCC4)CC2)nc3=O)c1 ZINC000049421371 569847171 /nfs/dbraw/zinc/84/71/71/569847171.db2.gz OKRQNAVLYCFXGG-UHFFFAOYSA-N -1 1 450.608 4.625 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCCCc4ccccc4)CC2)nc3=O)c1 ZINC000049421394 569847248 /nfs/dbraw/zinc/84/72/48/569847248.db2.gz UCQLYUXLULAUTJ-UHFFFAOYSA-N -1 1 486.641 4.925 50 0 JJAAMM Cc1cc(=O)oc2cc(NC(=S)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc12 ZINC000050114218 569850379 /nfs/dbraw/zinc/85/03/79/569850379.db2.gz KBRIGLWARDSGNS-UHFFFAOYSA-N -1 1 465.556 4.711 50 0 JJAAMM COc1ccc(C2=C([O-])C(=C(O)c3ccccc3)N(c3cc(C(C)(C)C)on3)C2=O)cc1OC ZINC000135715352 569864479 /nfs/dbraw/zinc/86/44/79/569864479.db2.gz DQLOWADCFXHWDU-QFIPXVFZSA-N -1 1 462.502 4.557 50 0 JJAAMM COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000138615258 569866057 /nfs/dbraw/zinc/86/60/57/569866057.db2.gz IPPSRKGTQIMDNV-BHDDXSALSA-N -1 1 479.330 4.509 50 0 JJAAMM CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)ccc1O ZINC000226907093 570039226 /nfs/dbraw/zinc/03/92/26/570039226.db2.gz CLFLKKAXZPKSEK-RBZQAINGSA-N -1 1 478.932 4.804 50 0 JJAAMM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1 ZINC000248130196 570074928 /nfs/dbraw/zinc/07/49/28/570074928.db2.gz JUSZSBMTAKZIPZ-TWJOJJKGSA-N -1 1 450.494 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O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)OCc1cc(-c2cccs2)on1 ZINC000023023780 556000572 /nfs/dbraw/zinc/00/05/72/556000572.db2.gz SOSITIRITJDWJA-UHFFFAOYSA-N -1 1 472.519 4.629 50 0 JJAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)Nc3ccc4ccccc4c3)c2)s1 ZINC000023056214 556003666 /nfs/dbraw/zinc/00/36/66/556003666.db2.gz ZATXHOVLTXXHEM-JOCHJYFZSA-N -1 1 474.586 4.761 50 0 JJAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)Nc3ccc4ccccc4c3)c2)s1 ZINC000023056215 556003948 /nfs/dbraw/zinc/00/39/48/556003948.db2.gz ZATXHOVLTXXHEM-QFIPXVFZSA-N -1 1 474.586 4.761 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)cc1 ZINC000012536137 556008981 /nfs/dbraw/zinc/00/89/81/556008981.db2.gz AIJLXDQMLWAXAP-QFIPXVFZSA-N -1 1 490.000 4.621 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)Cc3csc(-c4ccsc4)n3)c2)cc1 ZINC000012541581 556015471 /nfs/dbraw/zinc/01/54/71/556015471.db2.gz YMHVTNYKOZEKLH-UHFFFAOYSA-N -1 1 485.612 4.862 50 0 JJAAMM COc1ccc(CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)C2CC2)cc1 ZINC000012548516 556026973 /nfs/dbraw/zinc/02/69/73/556026973.db2.gz LKTWQJUCTFGBBG-UHFFFAOYSA-N -1 1 450.560 4.609 50 0 JJAAMM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012552032 556034187 /nfs/dbraw/zinc/03/41/87/556034187.db2.gz HXWFQBBXAAKFJR-MRXNPFEDSA-N -1 1 451.573 4.930 50 0 JJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc(C(F)(F)F)cc1 ZINC000012552419 556035275 /nfs/dbraw/zinc/03/52/75/556035275.db2.gz YSOYFWWOXGBIKW-UHFFFAOYSA-N -1 1 492.475 4.920 50 0 JJAAMM COC(=O)c1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000012552692 556035899 /nfs/dbraw/zinc/03/58/99/556035899.db2.gz AHZJSDQIQDZQKB-UHFFFAOYSA-N -1 1 493.368 4.511 50 0 JJAAMM CC(C)(C)c1ccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000015862897 556036198 /nfs/dbraw/zinc/03/61/98/556036198.db2.gz XBMARXOKFDRNCL-UHFFFAOYSA-N -1 1 468.966 4.733 50 0 JJAAMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc4sc(NC(=O)CC)nc4c3)cc2c1C ZINC000015870068 556049635 /nfs/dbraw/zinc/04/96/35/556049635.db2.gz PDNXOIPPMMBVRY-UHFFFAOYSA-N -1 1 487.559 4.677 50 0 JJAAMM O=C(Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2s1)C1CCCCC1 ZINC000015870272 556050053 /nfs/dbraw/zinc/05/00/53/556050053.db2.gz LXRUNIJQFKMXOZ-UHFFFAOYSA-N -1 1 451.520 4.894 50 0 JJAAMM Cc1ccc(NC(=O)c2cncc(Br)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000012585016 556082652 /nfs/dbraw/zinc/08/26/52/556082652.db2.gz SFOVAHXPKSMIEX-UHFFFAOYSA-N -1 1 480.771 4.859 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccco3)ccc2N2CCCCC2)cc1 ZINC000015982116 556100431 /nfs/dbraw/zinc/10/04/31/556100431.db2.gz SVODGBOLIZNFCB-WYMLVPIESA-N -1 1 481.574 4.731 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C)cc(C)c3)ccc2N2CCCC2)cc1 ZINC000016035585 556118947 /nfs/dbraw/zinc/11/89/47/556118947.db2.gz OLWSBIXTQDUUQR-UHFFFAOYSA-N -1 1 479.602 4.965 50 0 JJAAMM O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000025145790 556184393 /nfs/dbraw/zinc/18/43/93/556184393.db2.gz XUEDDZURSUECNS-SANMLTNESA-N -1 1 482.565 4.883 50 0 JJAAMM O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000025145790 556184398 /nfs/dbraw/zinc/18/43/98/556184398.db2.gz XUEDDZURSUECNS-SANMLTNESA-N -1 1 482.565 4.883 50 0 JJAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)NC2CCCCC2)s1 ZINC000016977039 556194395 /nfs/dbraw/zinc/19/43/95/556194395.db2.gz HOCYDGIYBPKRLU-UHFFFAOYSA-N -1 1 492.026 4.948 50 0 JJAAMM Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)n1 ZINC000017011727 556201435 /nfs/dbraw/zinc/20/14/35/556201435.db2.gz RMCVMYVKYHXEMA-UHFFFAOYSA-N -1 1 480.315 4.574 50 0 JJAAMM COc1ccc(OCCN(C)Cc2nc(=O)c3sc(-c4ccc(Cl)cc4)cc3[n-]2)cc1 ZINC000025665842 556229107 /nfs/dbraw/zinc/22/91/07/556229107.db2.gz KCGLUVCDLYWXSE-UHFFFAOYSA-N -1 1 455.967 4.824 50 0 JJAAMM COc1ccc2nc(Nc3nc(CSc4nc5ccccc5s4)cc(=O)[n-]3)nc(C)c2c1 ZINC000017180006 556234529 /nfs/dbraw/zinc/23/45/29/556234529.db2.gz NUPGVPQLKTUDPD-UHFFFAOYSA-N -1 1 462.560 4.676 50 0 JJAAMM Cc1ccc(CNC(=O)Cc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000013039188 556239390 /nfs/dbraw/zinc/23/93/90/556239390.db2.gz SDHXVRMNWZLAIA-UHFFFAOYSA-N -1 1 462.493 4.674 50 0 JJAAMM Cc1cccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1 ZINC000013070776 556268361 /nfs/dbraw/zinc/26/83/61/556268361.db2.gz OZCVDRNCYXYTSA-UHFFFAOYSA-N -1 1 484.521 4.924 50 0 JJAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000013070776 556268365 /nfs/dbraw/zinc/26/83/65/556268365.db2.gz OZCVDRNCYXYTSA-UHFFFAOYSA-N -1 1 484.521 4.924 50 0 JJAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000017918362 556271691 /nfs/dbraw/zinc/27/16/91/556271691.db2.gz YZKDGZCXMWQFNF-HDICACEKSA-N -1 1 478.680 4.760 50 0 JJAAMM COc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000027528459 556290639 /nfs/dbraw/zinc/29/06/39/556290639.db2.gz IITIFVZEAPRKLE-UHFFFAOYSA-N -1 1 470.312 4.771 50 0 JJAAMM Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000018132420 556292523 /nfs/dbraw/zinc/29/25/23/556292523.db2.gz OWDYYKOFXGKBKI-UHFFFAOYSA-N -1 1 460.607 4.767 50 0 JJAAMM O=C(CCc1c[nH]c2ccccc12)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000029697044 556355111 /nfs/dbraw/zinc/35/51/11/556355111.db2.gz UYEAOVUNSDLUNW-UHFFFAOYSA-N -1 1 469.950 4.899 50 0 JJAAMM COc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)cc1OC ZINC000013135506 556366639 /nfs/dbraw/zinc/36/66/39/556366639.db2.gz LIEHEWUNVCNWLJ-UHFFFAOYSA-N -1 1 491.363 4.519 50 0 JJAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C2CCCCC2)c1CN1CCOCC1 ZINC000019829584 556397339 /nfs/dbraw/zinc/39/73/39/556397339.db2.gz WEBQEMICUJLYEP-UHFFFAOYSA-N -1 1 465.388 4.624 50 0 JJAAMM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000032810030 556500148 /nfs/dbraw/zinc/50/01/48/556500148.db2.gz OZVKJBLSFUOQPP-UHFFFAOYSA-N -1 1 497.374 4.892 50 0 JJAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)Nc1ccc(F)cc1F ZINC000032948542 556564293 /nfs/dbraw/zinc/56/42/93/556564293.db2.gz AYJMKBRFPCEKEY-UHFFFAOYSA-N -1 1 462.528 4.514 50 0 JJAAMM Cc1ccc(-n2c3nc(SCC(=O)Nc4cccc(F)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948660 556564692 /nfs/dbraw/zinc/56/46/92/556564692.db2.gz RIFUVGFKNKVGJT-UHFFFAOYSA-N -1 1 458.565 4.683 50 0 JJAAMM Cc1c(C(=O)Nc2cc(C)cc(C)c2)sc2[n-]c(-c3cc4ccccc4oc3=O)nc(=O)c12 ZINC000008588230 562941422 /nfs/dbraw/zinc/94/14/22/562941422.db2.gz RUIKOJAVOOAHGL-UHFFFAOYSA-N -1 1 457.511 4.936 50 0 JJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000008595823 562944259 /nfs/dbraw/zinc/94/42/59/562944259.db2.gz SROCSVCAABASIM-XMMPIXPASA-N -1 1 473.485 4.701 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000008686640 562952863 /nfs/dbraw/zinc/95/28/63/562952863.db2.gz WZCXEFULUCPVRB-UHFFFAOYSA-N -1 1 472.950 4.751 50 0 JJAAMM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCN(Cc2ccc(F)cc2)CC1 ZINC000008698597 569593677 /nfs/dbraw/zinc/59/36/77/569593677.db2.gz DFJGVIYUUMOQPM-UHFFFAOYSA-N -1 1 474.532 4.784 50 0 JJAAMM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3ccccc3)c2cc1OC ZINC000008706604 569594522 /nfs/dbraw/zinc/59/45/22/569594522.db2.gz JIAWPPMTUIJXPF-UHFFFAOYSA-N -1 1 494.569 4.661 50 0 JJAAMM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)nc(N2CCCCC2)n1 ZINC000064801905 569631690 /nfs/dbraw/zinc/63/16/90/569631690.db2.gz BBLPILKOPCNXLW-UHFFFAOYSA-N -1 1 457.987 4.973 50 0 JJAAMM Cc1cc(C)cc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC(Cc3ccccc3)CC2)c1 ZINC000064843585 569638066 /nfs/dbraw/zinc/63/80/66/569638066.db2.gz LQLPRMDFOJYKKQ-UHFFFAOYSA-N -1 1 479.602 4.657 50 0 JJAAMM CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000065021140 569648456 /nfs/dbraw/zinc/64/84/56/569648456.db2.gz WGGXHPDAIMRMGK-UHFFFAOYSA-N -1 1 451.386 4.530 50 0 JJAAMM CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3c(C)cccc3C)c(C)n2C)nc1C ZINC000065036534 569653438 /nfs/dbraw/zinc/65/34/38/569653438.db2.gz SWGLRTDTBUOUPL-UHFFFAOYSA-N -1 1 474.652 4.665 50 0 JJAAMM CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c(C)n2C)nc1C ZINC000065036559 569653527 /nfs/dbraw/zinc/65/35/27/569653527.db2.gz JWFWZVRPRFUGSN-UHFFFAOYSA-N -1 1 474.652 4.665 50 0 JJAAMM COc1ccccc1CN1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2)C1=O ZINC000034737565 569654533 /nfs/dbraw/zinc/65/45/33/569654533.db2.gz ZZTIYFZGIDKGQF-UHFFFAOYSA-N -1 1 483.565 4.776 50 0 JJAAMM CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000065059815 569654946 /nfs/dbraw/zinc/65/49/46/569654946.db2.gz DXUPGQQZIPVMBE-UHFFFAOYSA-N -1 1 453.564 4.623 50 0 JJAAMM CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000065115727 569665841 /nfs/dbraw/zinc/66/58/41/569665841.db2.gz JRHVFQDZVZTBHK-UHFFFAOYSA-N -1 1 453.442 4.736 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137430 569668230 /nfs/dbraw/zinc/66/82/30/569668230.db2.gz YARLYHXCUNLIBI-UHFFFAOYSA-N -1 1 472.636 4.617 50 0 JJAAMM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664667 569714813 /nfs/dbraw/zinc/71/48/13/569714813.db2.gz YTYFYCLXHYHJLD-UHFFFAOYSA-N -1 1 470.267 4.859 50 0 JJAAMM Cc1ccc(-c2noc(C(=O)N3CCCCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000065319070 569673530 /nfs/dbraw/zinc/67/35/30/569673530.db2.gz BJCCXDWBHFZDKD-UHFFFAOYSA-N -1 1 474.970 4.515 50 0 JJAAMM Cc1cccc(Cl)c1NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291636 569685806 /nfs/dbraw/zinc/68/58/06/569685806.db2.gz HGKOIJFNTBSPLK-UHFFFAOYSA-N -1 1 472.973 4.572 50 0 JJAAMM COc1ccc(Cl)cc1NC(=O)CSc1nnc([N-]C(=O)c2nc3ccccc3s2)s1 ZINC000070635051 569695403 /nfs/dbraw/zinc/69/54/03/569695403.db2.gz CULLUDNFRYPJNS-UHFFFAOYSA-N -1 1 492.007 4.793 50 0 JJAAMM CCc1nnc2c(Oc3cccc([N-]S(=O)(=O)c4ccc(F)c(C)c4)c3)nc3ccccc3n12 ZINC000035512169 569698438 /nfs/dbraw/zinc/69/84/38/569698438.db2.gz MPVDEMSBCBYYHQ-UHFFFAOYSA-N -1 1 477.521 4.881 50 0 JJAAMM Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c2)ccc1=O ZINC000085652018 569713651 /nfs/dbraw/zinc/71/36/51/569713651.db2.gz CPCHDOJJLCQXKQ-UHFFFAOYSA-N -1 1 484.965 4.575 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc5nccnc5c3)CC(=O)O4)c2=O)cc1 ZINC000085875466 569715705 /nfs/dbraw/zinc/71/57/05/569715705.db2.gz IRUPROMFJGDMSH-KRWDZBQOSA-N -1 1 466.449 4.558 50 0 biogenic JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc3nccnc3c2)cc1 ZINC000085875466 569715706 /nfs/dbraw/zinc/71/57/06/569715706.db2.gz IRUPROMFJGDMSH-KRWDZBQOSA-N -1 1 466.449 4.558 50 0 biogenic JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086057091 569716953 /nfs/dbraw/zinc/71/69/53/569716953.db2.gz QLNOJXSZBHDZKM-IBGZPJMESA-N -1 1 479.602 4.888 50 0 JJAAMM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000086057278 569717183 /nfs/dbraw/zinc/71/71/83/569717183.db2.gz DKCBSPZPFZCRPY-GOSISDBHSA-N -1 1 465.575 4.642 50 0 JJAAMM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000086057158 569717185 /nfs/dbraw/zinc/71/71/85/569717185.db2.gz UKVSFPNBKHLFDB-GOSISDBHSA-N -1 1 465.575 4.642 50 0 JJAAMM CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000086057389 569717311 /nfs/dbraw/zinc/71/73/11/569717311.db2.gz ICIRICYJFKGQFS-INIZCTEOSA-N -1 1 485.993 4.987 50 0 JJAAMM CN(Cc1ccccc1Cl)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000089363583 569718154 /nfs/dbraw/zinc/71/81/54/569718154.db2.gz ODUVFSOZCIBRJQ-UHFFFAOYSA-N -1 1 450.894 4.691 50 0 JJAAMM CC[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN(Cc2ccc(OC)cc2)C1=O ZINC000035887114 569720717 /nfs/dbraw/zinc/72/07/17/569720717.db2.gz UIAZDKIGKYMOKY-DEOSSOPVSA-N -1 1 498.576 4.643 50 0 JJAAMM CC[C@@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2OCC1=O ZINC000035910065 569725429 /nfs/dbraw/zinc/72/54/29/569725429.db2.gz GADQTFBDSFADGT-QHCPKHFHSA-N -1 1 468.550 4.807 50 0 JJAAMM COc1ccc(C)cc1N1C(=O)CS[C@@H]1c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035910292 569725573 /nfs/dbraw/zinc/72/55/73/569725573.db2.gz WCXQVPGSFTXDCJ-HSZRJFAPSA-N -1 1 472.563 4.722 50 0 JJAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c(OC)c1OC ZINC000096115177 569734298 /nfs/dbraw/zinc/73/42/98/569734298.db2.gz BHIKRVFJIGDZEN-INIZCTEOSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[n-]c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000100821759 569771423 /nfs/dbraw/zinc/77/14/23/569771423.db2.gz YWEAJAORQYWKAL-SFHVURJKSA-N -1 1 471.941 4.859 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3ccc(F)cc3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000101081607 569781798 /nfs/dbraw/zinc/78/17/98/569781798.db2.gz PQOJUFIDPPNRJJ-WAOWUJCRSA-N -1 1 482.817 4.843 50 0 JJAAMM Cc1nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)CC(C)C)nn2c(=O)c1Cc1ccccc1 ZINC000101861082 569806357 /nfs/dbraw/zinc/80/63/57/569806357.db2.gz SGBDENRRKVFZPF-UHFFFAOYSA-N -1 1 463.969 4.550 50 0 JJAAMM O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000040155324 569820740 /nfs/dbraw/zinc/82/07/40/569820740.db2.gz UJBIATQDXVKKCH-UHFFFAOYSA-N -1 1 472.929 4.728 50 0 JJAAMM O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421196 569846937 /nfs/dbraw/zinc/84/69/37/569846937.db2.gz KOUDMUSMIKVURY-OAQYLSRUSA-N -1 1 472.614 4.617 50 0 JJAAMM COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccc(C)cc5)c4[n-]3)C2)cc1 ZINC000049421281 569846996 /nfs/dbraw/zinc/84/69/96/569846996.db2.gz YZTNFPTZHLIJMQ-HXUWFJFHSA-N -1 1 488.613 4.501 50 0 JJAAMM Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccc(C)cc5)c4[n-]3)C2)cc1 ZINC000049421275 569847009 /nfs/dbraw/zinc/84/70/09/569847009.db2.gz GDKJOTDOJRNMBU-NRFANRHFSA-N -1 1 472.614 4.801 50 0 JJAAMM COc1ccc(CNC(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccc(C)cc5)c4[n-]3)C2)cc1 ZINC000049421280 569847040 /nfs/dbraw/zinc/84/70/40/569847040.db2.gz YZTNFPTZHLIJMQ-FQEVSTJZSA-N -1 1 488.613 4.501 50 0 JJAAMM Cc1ccc(CNC(=O)C2CCN(c3nc(=O)c4scc(-c5cccc(C)c5)c4[n-]3)CC2)cc1 ZINC000049421375 569847179 /nfs/dbraw/zinc/84/71/79/569847179.db2.gz YRGVGDDUDCQIHC-UHFFFAOYSA-N -1 1 472.614 4.801 50 0 JJAAMM COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1O ZINC000226891034 570039327 /nfs/dbraw/zinc/03/93/27/570039327.db2.gz DATOMUUNBYGINO-BHDDXSALSA-N -1 1 485.323 4.759 50 0 JJAAMM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(OC)c(OC)c5)coc4c32)cc1 ZINC000263585851 570171302 /nfs/dbraw/zinc/17/13/02/570171302.db2.gz NFYQOZFNMCUXFW-KRWDZBQOSA-N -1 1 474.465 4.632 50 0 JJAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263585851 570171304 /nfs/dbraw/zinc/17/13/04/570171304.db2.gz NFYQOZFNMCUXFW-KRWDZBQOSA-N -1 1 474.465 4.632 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1I ZINC000001077974 194018993 /nfs/dbraw/zinc/01/89/93/194018993.db2.gz HFKSDOCAQRNQFP-UHFFFAOYSA-N -1 1 491.656 4.773 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C ZINC000001145994 194047786 /nfs/dbraw/zinc/04/77/86/194047786.db2.gz IWIWBNVWUXVHDL-UHFFFAOYSA-N -1 1 480.995 4.567 50 0 JJAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C[C@H](C(C)(C)C)CC5)cc2n(C)c1=O ZINC000001320764 194084247 /nfs/dbraw/zinc/08/42/47/194084247.db2.gz YDDVOFHMGJKVNI-OAHLLOKOSA-N -1 1 467.591 4.575 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000003234824 194246764 /nfs/dbraw/zinc/24/67/64/194246764.db2.gz IDMIGZTXGWVUAD-UHFFFAOYSA-N -1 1 494.352 4.843 50 0 JJAAMM O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000003284003 194263525 /nfs/dbraw/zinc/26/35/25/194263525.db2.gz IMQZVFVVDDRXLK-UHFFFAOYSA-N -1 1 486.525 4.646 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)ccc2C)c1 ZINC000009725412 194922213 /nfs/dbraw/zinc/92/22/13/194922213.db2.gz MGGLWRDEOJDAPG-UHFFFAOYSA-N -1 1 485.993 4.516 50 0 JJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 ZINC000012605147 195050417 /nfs/dbraw/zinc/05/04/17/195050417.db2.gz VOKJNTAPNUUAIR-UHFFFAOYSA-N -1 1 450.969 4.558 50 0 JJAAMM CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000012623322 195058100 /nfs/dbraw/zinc/05/81/00/195058100.db2.gz KSKXPXUJJLOQRW-UHFFFAOYSA-N -1 1 498.576 4.611 50 0 JJAAMM CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000012623531 195058410 /nfs/dbraw/zinc/05/84/10/195058410.db2.gz WIIPDTDDEKOCSA-OAHLLOKOSA-N -1 1 488.512 4.512 50 0 JJAAMM Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c(C)c1 ZINC000012652663 195076681 /nfs/dbraw/zinc/07/66/81/195076681.db2.gz LFKFBRRVOBTSAE-UHFFFAOYSA-N -1 1 450.969 4.558 50 0 JJAAMM COc1ccc(CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)C2CC2)cc1 ZINC000012877101 195166923 /nfs/dbraw/zinc/16/69/23/195166923.db2.gz BIGBQPWYEPXYOP-UHFFFAOYSA-N -1 1 468.550 4.748 50 0 JJAAMM Cc1ccccc1-c1nnc(CSc2nnc([N-]C(=O)c3ccc(Br)o3)s2)o1 ZINC000021359203 195298735 /nfs/dbraw/zinc/29/87/35/195298735.db2.gz QNQMWVJZIIGCBA-UHFFFAOYSA-N -1 1 478.353 4.797 50 0 JJAAMM COc1ccc(Br)cc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000021784395 195321043 /nfs/dbraw/zinc/32/10/43/195321043.db2.gz KQYMJMIRLZNSNE-OAHLLOKOSA-N -1 1 472.364 4.720 50 0 JJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1/C=C\c1ccccc1 ZINC000096310152 130057988 /nfs/dbraw/zinc/05/79/88/130057988.db2.gz HINWALXWXDCINB-OGLOHFSISA-N -1 1 459.571 4.916 50 0 JJAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)c4ccc(C)cc4)nc3c2)cc1 ZINC000033116507 518408250 /nfs/dbraw/zinc/40/82/50/518408250.db2.gz DSSCIPGIJXTNNF-UHFFFAOYSA-N -1 1 465.556 4.860 50 0 JJAAMM CC(=O)Nc1cc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)no2)ccc1C ZINC000033276500 519702921 /nfs/dbraw/zinc/70/29/21/519702921.db2.gz CLLLDFVAICJMAY-UHFFFAOYSA-N -1 1 466.494 4.610 50 0 JJAAMM CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)nc1 ZINC000033138479 519898090 /nfs/dbraw/zinc/89/80/90/519898090.db2.gz JZLHKMFHWOFESW-UHFFFAOYSA-N -1 1 455.605 4.907 50 0 JJAAMM CC1(C)C[C@@H](n2c3nnc([S-])n3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1 ZINC000006232544 520529241 /nfs/dbraw/zinc/52/92/41/520529241.db2.gz SDSOCAZDUZPPMI-KRWDZBQOSA-N -1 1 450.608 4.735 50 0 JJAAMM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4cc(F)ccc4C)ccc3n2C)cc1 ZINC000033277028 520546522 /nfs/dbraw/zinc/54/65/22/520546522.db2.gz DGMGMCHWJHXYHX-UHFFFAOYSA-N -1 1 494.592 4.971 50 0 JJAAMM CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000046016886 520610173 /nfs/dbraw/zinc/61/01/73/520610173.db2.gz QRLVSJHFVCIXBB-HNNXBMFYSA-N -1 1 471.966 4.597 50 0 JJAAMM CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000046016889 520611534 /nfs/dbraw/zinc/61/15/34/520611534.db2.gz QRLVSJHFVCIXBB-OAHLLOKOSA-N -1 1 471.966 4.597 50 0 JJAAMM CCCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccccc3C)cc2)nc1 ZINC000033138663 520684145 /nfs/dbraw/zinc/68/41/45/520684145.db2.gz BZPWTVVLZBNTHK-UHFFFAOYSA-N -1 1 455.605 4.872 50 0 JJAAMM CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1OCC ZINC000086057410 521272022 /nfs/dbraw/zinc/27/20/22/521272022.db2.gz ZHUXEMDKNPSYTA-MRXNPFEDSA-N -1 1 485.993 4.987 50 0 JJAAMM CCCc1cc(Sc2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2)n2ncnc2n1 ZINC000033122325 521386641 /nfs/dbraw/zinc/38/66/41/521386641.db2.gz VPTYGBQGMCSSFV-UHFFFAOYSA-N -1 1 453.593 4.591 50 0 JJAAMM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000016448117 522059038 /nfs/dbraw/zinc/05/90/38/522059038.db2.gz GSNUKPLBTMXJEZ-UHFFFAOYSA-N -1 1 472.950 4.797 50 0 JJAAMM CCn1c(CSc2nc(C)cc(C)n2)nc2cc([N-]S(=O)(=O)c3ccc(OC)cc3)ccc21 ZINC000012323785 523202259 /nfs/dbraw/zinc/20/22/59/523202259.db2.gz RVQSGWCSACBKSB-UHFFFAOYSA-N -1 1 483.619 4.565 50 0 JJAAMM COC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000033292730 523217853 /nfs/dbraw/zinc/21/78/53/523217853.db2.gz CXQUOKBGIKWWMT-UHFFFAOYSA-N -1 1 482.945 4.908 50 0 JJAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000033173668 523854324 /nfs/dbraw/zinc/85/43/24/523854324.db2.gz DOLOLPYPFUXYIA-UHFFFAOYSA-N -1 1 453.442 4.682 50 0 JJAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1 ZINC000033173677 523854624 /nfs/dbraw/zinc/85/46/24/523854624.db2.gz ZYKQLCUMGFNJSJ-UHFFFAOYSA-N -1 1 454.426 4.510 50 0 JJAAMM COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c1 ZINC000033253584 524253185 /nfs/dbraw/zinc/25/31/85/524253185.db2.gz SUZPDPCHLLEYDN-UHFFFAOYSA-N -1 1 469.003 4.966 50 0 JJAAMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(CC[NH+]3CCCCC3)CC2)c1 ZINC000033254089 524457293 /nfs/dbraw/zinc/45/72/93/524457293.db2.gz BCDAXPKKTFUZBP-UHFFFAOYSA-N -1 1 499.677 4.895 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)cc1Cl ZINC000033299315 524686868 /nfs/dbraw/zinc/68/68/68/524686868.db2.gz ZWJSKVPNNDNRMX-UHFFFAOYSA-N -1 1 451.879 4.928 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)cc1Cl ZINC000033299315 524686882 /nfs/dbraw/zinc/68/68/82/524686882.db2.gz ZWJSKVPNNDNRMX-UHFFFAOYSA-N -1 1 451.879 4.928 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)c4ccc(C)cc4)nc3c2)cc1 ZINC000033116477 525087781 /nfs/dbraw/zinc/08/77/81/525087781.db2.gz VIATWDWKQVBIEE-UHFFFAOYSA-N -1 1 453.545 4.666 50 0 JJAAMM C[C@H](NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)c1ccc(F)cc1 ZINC000049421182 525138584 /nfs/dbraw/zinc/13/85/84/525138584.db2.gz JGCZVMXGTTUOOV-QFBILLFUSA-N -1 1 476.577 4.885 50 0 JJAAMM Cc1ccccc1CNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421091 525148514 /nfs/dbraw/zinc/14/85/14/525148514.db2.gz HXPNGRPAGHFUMM-UHFFFAOYSA-N -1 1 476.577 4.632 50 0 JJAAMM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2s1 ZINC000033298968 525284616 /nfs/dbraw/zinc/28/46/16/525284616.db2.gz GLGNVYWMIIZYKL-UHFFFAOYSA-N -1 1 450.607 4.548 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2)cc1C ZINC000012525781 525299906 /nfs/dbraw/zinc/29/99/06/525299906.db2.gz CJROJRKYXCPKGZ-QFIPXVFZSA-N -1 1 491.613 4.595 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)c2)cc1 ZINC000006140345 525304707 /nfs/dbraw/zinc/30/47/07/525304707.db2.gz ZWZMWDYIVDJLHN-WUMKDDEVSA-N -1 1 487.618 4.957 50 0 JJAAMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)c1cccc2ccccc21 ZINC000017841005 525345656 /nfs/dbraw/zinc/34/56/56/525345656.db2.gz LFDHOBDBJFMEFX-QGZVFWFLSA-N -1 1 474.538 4.860 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(CC[NH+]3CCCCC3)CC2)cc1 ZINC000033254080 525593916 /nfs/dbraw/zinc/59/39/16/525593916.db2.gz SYERQGBTXQSETH-UHFFFAOYSA-N -1 1 485.650 4.586 50 0 JJAAMM 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CN(C(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000012112495 555908707 /nfs/dbraw/zinc/90/87/07/555908707.db2.gz SSWUQCCRXXQDDC-UHFFFAOYSA-N -1 1 481.574 4.804 50 0 JJAAMM COc1ccc(Cn2c(C)c(CNCc3cc(Br)ccc3OC)c(C(=O)[O-])c2C)cc1 ZINC000015777204 555996941 /nfs/dbraw/zinc/99/69/41/555996941.db2.gz ITOITLPKKKOZRK-UHFFFAOYSA-N -1 1 487.394 4.921 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000012528947 555997835 /nfs/dbraw/zinc/99/78/35/555997835.db2.gz IBHKPEGMCXKLKT-UHFFFAOYSA-N -1 1 465.358 4.984 50 0 JJAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(F)c(F)c1 ZINC000012541640 556015880 /nfs/dbraw/zinc/01/58/80/556015880.db2.gz NWOXJCYUZCHGTR-UHFFFAOYSA-N -1 1 492.447 4.585 50 0 JJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1cccc(Cl)c1 ZINC000012552563 556035674 /nfs/dbraw/zinc/03/56/74/556035674.db2.gz FSWRWIZUZIMBNG-UHFFFAOYSA-N -1 1 458.923 4.554 50 0 JJAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000015870203 556049772 /nfs/dbraw/zinc/04/97/72/556049772.db2.gz YGNOXTYMNXZAPX-UHFFFAOYSA-N -1 1 451.529 4.552 50 0 JJAAMM CCCc1cc(=O)[n-]c(S[C@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)n1 ZINC000012566769 556065405 /nfs/dbraw/zinc/06/54/05/556065405.db2.gz PMVIARZJZJTETP-ZEQRLZLVSA-N -1 1 477.611 4.742 50 0 JJAAMM O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)[N-]C(=O)c1ccccc1 ZINC000012930535 556147524 /nfs/dbraw/zinc/14/75/24/556147524.db2.gz JFUBRNGLKFQDAJ-UHFFFAOYSA-N -1 1 467.616 4.501 50 0 JJAAMM Cc1ccc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)cc1Cl ZINC000024982183 556168314 /nfs/dbraw/zinc/16/83/14/556168314.db2.gz NJWHNBQZDULPKZ-HXUWFJFHSA-N -1 1 485.009 4.713 50 0 JJAAMM Cc1ccccc1-n1c2nc(SCC(=O)Nc3ccc(F)cc3)[n-]c(=O)c2sc1=S ZINC000017143756 556225314 /nfs/dbraw/zinc/22/53/14/556225314.db2.gz VYZQIAFINSBCNJ-UHFFFAOYSA-N -1 1 458.565 4.683 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(F)c3)[n-]c2=O)cc1 ZINC000017271388 556249883 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CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000067245910 569681998 /nfs/dbraw/zinc/68/19/98/569681998.db2.gz ALSWFSFTBKOFGT-HXUWFJFHSA-N -1 1 458.587 4.527 50 0 JJAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)Nc1ccccc1C(F)(F)F ZINC000067291480 569685458 /nfs/dbraw/zinc/68/54/58/569685458.db2.gz LOVCSWLOZUNKGN-UHFFFAOYSA-N -1 1 492.498 4.629 50 0 JJAAMM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)cnc1N(Cc1ccccc1)Cc1ccccc1 ZINC000035397371 569688061 /nfs/dbraw/zinc/68/80/61/569688061.db2.gz RUOPMUJTPZPTQE-UHFFFAOYSA-N -1 1 491.544 4.927 50 0 JJAAMM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000035397574 569688337 /nfs/dbraw/zinc/68/83/37/569688337.db2.gz FZPDZTUNUQKURC-UHFFFAOYSA-N -1 1 457.527 4.526 50 0 JJAAMM CCOc1ccccc1[C@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1C(=O)CC ZINC000035684021 569706821 /nfs/dbraw/zinc/70/68/21/569706821.db2.gz XTFMYIQLGZHOFL-XMMPIXPASA-N -1 1 477.586 4.974 50 0 JJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000035684024 569706842 /nfs/dbraw/zinc/70/68/42/569706842.db2.gz JSVLHSHPJZMNQL-QHCPKHFHSA-N -1 1 451.523 4.714 50 0 JJAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)c(Br)c1)CC(=O)N2 ZINC000086057067 569716938 /nfs/dbraw/zinc/71/69/38/569716938.db2.gz ONWIHUPVZZKGRV-CQSZACIVSA-N -1 1 474.355 4.746 50 0 JJAAMM CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000086057273 569717103 /nfs/dbraw/zinc/71/71/03/569717103.db2.gz DKCBSPZPFZCRPY-SFHVURJKSA-N -1 1 465.575 4.642 50 0 JJAAMM CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)ccc1OC ZINC000086057404 569717317 /nfs/dbraw/zinc/71/73/17/569717317.db2.gz IXEZCDJIAAYDBI-OAHLLOKOSA-N -1 1 471.966 4.597 50 0 JJAAMM CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000086057472 569717361 /nfs/dbraw/zinc/71/73/61/569717361.db2.gz XGDDHXXKDVPBTM-INIZCTEOSA-N -1 1 471.966 4.597 50 0 JJAAMM CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1OCC ZINC000086057588 569717490 /nfs/dbraw/zinc/71/74/90/569717490.db2.gz YZYITTQGBACCNQ-QGZVFWFLSA-N -1 1 485.993 4.987 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)ccc1OC(F)F ZINC000096114526 569733694 /nfs/dbraw/zinc/73/36/94/569733694.db2.gz VGHGICDIZBAISC-HNNXBMFYSA-N -1 1 496.418 4.922 50 0 biogenic JJAAMM COc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000100555044 569764436 /nfs/dbraw/zinc/76/44/36/569764436.db2.gz PHPRPPDWYSYAQY-UIOOFZCWSA-N -1 1 496.567 4.865 50 0 JJAAMM COc1cccc([C@@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2ccccc2)c1 ZINC000100936911 569776732 /nfs/dbraw/zinc/77/67/32/569776732.db2.gz BLTQNZDLBFLECQ-BDTNDASRSA-N -1 1 468.431 4.765 50 0 JJAAMM COc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(CCc3ccccc3)c2=O)=Nc2ccccc2S1 ZINC000101401865 569796437 /nfs/dbraw/zinc/79/64/37/569796437.db2.gz IMLLGHAXMLMXFJ-DEOSSOPVSA-N -1 1 499.592 4.851 50 0 JJAAMM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c(=O)n1Cc1ccccc1 ZINC000101495016 569800174 /nfs/dbraw/zinc/80/01/74/569800174.db2.gz JLNIWYJQAIZFCI-FQEVSTJZSA-N -1 1 461.568 4.710 50 0 JJAAMM Cc1nc2[n-]c(N(Cc3cccs3)C(=O)c3ccccc3)nn2c(=O)c1Cc1ccc(Cl)cc1 ZINC000101861527 569806525 /nfs/dbraw/zinc/80/65/25/569806525.db2.gz UAAIXMNCQIGLGG-UHFFFAOYSA-N -1 1 489.988 4.879 50 0 JJAAMM Cc1nc2[n-]c(N(Cc3ccccc3)C(=O)c3cccs3)nn2c(=O)c1Cc1ccc(Cl)cc1 ZINC000101861518 569806539 /nfs/dbraw/zinc/80/65/39/569806539.db2.gz DSSIWUZBPPDBTR-UHFFFAOYSA-N -1 1 489.988 4.879 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3ccccc3OC)nn2c1=O ZINC000101878516 569806939 /nfs/dbraw/zinc/80/69/39/569806939.db2.gz JBHWHKYNODSVDS-UHFFFAOYSA-N -1 1 479.968 4.578 50 0 JJAAMM CSc1nc(C)c(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(=O)[n-]1 ZINC000040024531 569814173 /nfs/dbraw/zinc/81/41/73/569814173.db2.gz SQAOLLHPENEKBP-UHFFFAOYSA-N -1 1 490.507 4.643 50 0 JJAAMM COc1ccc(OC)c([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c1 ZINC000102756757 569821387 /nfs/dbraw/zinc/82/13/87/569821387.db2.gz GAZHQWQMDQVGHO-WXFUMESZSA-N -1 1 478.932 4.717 50 0 JJAAMM COc1cccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1OC ZINC000103111393 569832866 /nfs/dbraw/zinc/83/28/66/569832866.db2.gz HWCFNAAYDFUGQA-DQEYMECFSA-N -1 1 496.567 4.865 50 0 JJAAMM COc1cccc(CNC(=O)C2CCN(c3nc(=O)c4scc(-c5cccc(C)c5)c4[n-]3)CC2)c1 ZINC000049421377 569847240 /nfs/dbraw/zinc/84/72/40/569847240.db2.gz AFJLSMPMJKDPHI-UHFFFAOYSA-N -1 1 488.613 4.501 50 0 JJAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)NC3CCC(C)CC3)C1)nc2=O ZINC000049421425 569847401 /nfs/dbraw/zinc/84/74/01/569847401.db2.gz SWZWFTXZCHEGQW-AVAKVYKDSA-N -1 1 464.635 4.871 50 0 JJAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(O)cc1O ZINC000113864454 569862237 /nfs/dbraw/zinc/86/22/37/569862237.db2.gz XGYZZCSOHCZRMD-UHFFFAOYSA-N -1 1 468.513 4.677 50 0 JJAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(F)cc1Cl ZINC000252493433 570081947 /nfs/dbraw/zinc/08/19/47/570081947.db2.gz NBVQMJXNXNHFPM-HSZRJFAPSA-N -1 1 471.941 4.978 50 0 JJAAMM CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000001072940 194016910 /nfs/dbraw/zinc/01/69/10/194016910.db2.gz LEXPGVYJXZKOGK-UHFFFAOYSA-N -1 1 452.532 4.533 50 0 JJAAMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1OC ZINC000001078623 194019619 /nfs/dbraw/zinc/01/96/19/194019619.db2.gz PRDIAAOAINPWAI-UHFFFAOYSA-N -1 1 454.548 4.682 50 0 JJAAMM COc1ccccc1-n1cnc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000001115156 194029309 /nfs/dbraw/zinc/02/93/09/194029309.db2.gz JOPKGCBRCAKMAU-UHFFFAOYSA-N -1 1 458.337 4.597 50 0 aggregator JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1 ZINC000003172983 194234353 /nfs/dbraw/zinc/23/43/53/194234353.db2.gz ZXPHVNGSHBIVCF-UHFFFAOYSA-N -1 1 450.438 4.767 50 0 JJAAMM 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CC(C)(C)c1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000009641324 194845854 /nfs/dbraw/zinc/84/58/54/194845854.db2.gz CWCZUKNINUSWPI-UHFFFAOYSA-N -1 1 467.982 4.766 50 0 JJAAMM CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000012605205 195050423 /nfs/dbraw/zinc/05/04/23/195050423.db2.gz HSNXLBDJXGRDIS-UHFFFAOYSA-N -1 1 465.575 4.530 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000012636514 195067992 /nfs/dbraw/zinc/06/79/92/195067992.db2.gz SIUYYFYWMURUFW-UHFFFAOYSA-N -1 1 470.978 4.738 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 ZINC000012806020 195141628 /nfs/dbraw/zinc/14/16/28/195141628.db2.gz TVEUOTIYERADDL-UHFFFAOYSA-N -1 1 471.387 4.903 50 0 JJAAMM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(C4=Nc5ccccc5Oc5ccccc54)CC3)c2c1 ZINC000020726844 195208192 /nfs/dbraw/zinc/20/81/92/195208192.db2.gz NBGPBDKJMLOMIJ-SANMLTNESA-N -1 1 482.540 4.804 50 0 JJAAMM 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ZINC000033170533 521412302 /nfs/dbraw/zinc/41/23/02/521412302.db2.gz KVHOQHMZLOMPMV-UHFFFAOYSA-N -1 1 452.561 4.697 50 0 JJAAMM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2s1 ZINC000033298899 521694636 /nfs/dbraw/zinc/69/46/36/521694636.db2.gz CNJMMSPPVMEESW-UHFFFAOYSA-N -1 1 464.634 4.938 50 0 JJAAMM COc1cc(Cl)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2n[nH]c(C)c2C)c(OC)c1 ZINC000033306751 522531040 /nfs/dbraw/zinc/53/10/40/522531040.db2.gz XAWJBCDJONWTCO-UHFFFAOYSA-N -1 1 455.989 4.843 50 0 JJAAMM COc1cc(OC)cc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)no2)c1 ZINC000033276439 522835825 /nfs/dbraw/zinc/83/58/25/522835825.db2.gz YFSIKDJISAVFSN-UHFFFAOYSA-N -1 1 451.504 4.530 50 0 JJAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(OC)c(OC)c4)oc3C)n2)cc1 ZINC000045924933 523089611 /nfs/dbraw/zinc/08/96/11/523089611.db2.gz GCVNQAICYGGOLN-UHFFFAOYSA-N -1 1 465.531 4.718 50 0 JJAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(OC(C)C)cc4)no3)n2)cc1 ZINC000048985688 523089631 /nfs/dbraw/zinc/08/96/31/523089631.db2.gz FFERKNQLUSMGOM-UHFFFAOYSA-N -1 1 450.520 4.575 50 0 JJAAMM COc1ccc(Br)cc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000021784423 523510708 /nfs/dbraw/zinc/51/07/08/523510708.db2.gz FCMGCMSWUUFZKY-CQSZACIVSA-N -1 1 490.354 4.859 50 0 JJAAMM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC000021882307 524214383 /nfs/dbraw/zinc/21/43/83/524214383.db2.gz XQFZHRQBQLSKLX-UHFFFAOYSA-N -1 1 493.991 4.800 50 0 JJAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000033254036 524325283 /nfs/dbraw/zinc/32/52/83/524325283.db2.gz NBMYKWHYDPGXMV-UHFFFAOYSA-N -1 1 485.650 4.566 50 0 JJAAMM COc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000016840432 524597820 /nfs/dbraw/zinc/59/78/20/524597820.db2.gz SCGOZFUIHYCDPE-UHFFFAOYSA-N -1 1 491.019 4.898 50 0 JJAAMM Cc1cc(C)nc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1 ZINC000036271673 524599805 /nfs/dbraw/zinc/59/98/05/524599805.db2.gz BQXFQHZAUDBOAI-UHFFFAOYSA-N -1 1 477.011 4.587 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)N3CCC[C@H]3c3cccs3)c2)c1 ZINC000021844515 524691703 /nfs/dbraw/zinc/69/17/03/524691703.db2.gz FUIVORNUCOHGIM-QFIPXVFZSA-N -1 1 498.626 4.686 50 0 JJAAMM Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000016474209 524732942 /nfs/dbraw/zinc/73/29/42/524732942.db2.gz QBYUTJNHGSZFLP-UHFFFAOYSA-N -1 1 484.021 4.720 50 0 JJAAMM Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)cc1F ZINC000016840457 525078421 /nfs/dbraw/zinc/07/84/21/525078421.db2.gz USFIYLWOAYQRBN-UHFFFAOYSA-N -1 1 458.565 4.683 50 0 JJAAMM Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000018105307 525237263 /nfs/dbraw/zinc/23/72/63/525237263.db2.gz LPNNLDHQUHIDLH-UHFFFAOYSA-N -1 1 498.004 4.824 50 0 JJAAMM C[C@@H](NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)c1ccc(F)cc1 ZINC000049421183 525267523 /nfs/dbraw/zinc/26/75/23/525267523.db2.gz JGCZVMXGTTUOOV-VQIMIIECSA-N -1 1 476.577 4.885 50 0 JJAAMM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCC(CC[NH+]2CCCCC2)CC1 ZINC000033254087 525331937 /nfs/dbraw/zinc/33/19/37/525331937.db2.gz XCDQJEPSWKRAFN-UHFFFAOYSA-N -1 1 485.650 4.586 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(-c4ccc(Br)o4)n3)cc2)cc1 ZINC000033122843 525597528 /nfs/dbraw/zinc/59/75/28/525597528.db2.gz MIKDYZPUSGCNHV-UHFFFAOYSA-N -1 1 460.309 4.868 50 0 JJAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)Nc2ccccc2)cc1 ZINC000012249920 525633887 /nfs/dbraw/zinc/63/38/87/525633887.db2.gz HGFKDVYJZSCVKY-UHFFFAOYSA-N -1 1 463.584 4.949 50 0 JJAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)cc3)sc2c1 ZINC000033289330 525656010 /nfs/dbraw/zinc/65/60/10/525656010.db2.gz RLRUGBIMZGUTSN-UHFFFAOYSA-N -1 1 454.529 4.544 50 0 JJAAMM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000006140417 525890629 /nfs/dbraw/zinc/89/06/29/525890629.db2.gz CNQXPRWDDZESNC-ZDUSSCGKSA-N -1 1 494.903 4.603 50 0 JJAAMM CSc1ccc(CNC(=O)CSc2nc(-c3sc(-c4ccccc4)nc3C)cc(=O)[n-]2)cc1 ZINC000033170074 525996331 /nfs/dbraw/zinc/99/63/31/525996331.db2.gz ACSQKAAHGYQEEW-UHFFFAOYSA-N -1 1 494.667 4.999 50 0 JJAAMM C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421058 526256368 /nfs/dbraw/zinc/25/63/68/526256368.db2.gz JSQQWZJVZYPCFF-YWZLYKJASA-N -1 1 468.598 4.702 50 0 JJAAMM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000033078671 526351704 /nfs/dbraw/zinc/35/17/04/526351704.db2.gz SEYPVEYOJOCFQC-UHFFFAOYSA-N -1 1 485.993 4.553 50 0 JJAAMM O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421165 526747402 /nfs/dbraw/zinc/74/74/02/526747402.db2.gz KBDPVFPNFSPEOV-GOSISDBHSA-N -1 1 479.005 4.838 50 0 JJAAMM O=C(CSc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1)N1CCc2ccccc2C1 ZINC000012436525 527057047 /nfs/dbraw/zinc/05/70/47/527057047.db2.gz RYTXRHHOKVZXEY-UHFFFAOYSA-N -1 1 458.008 4.805 50 0 JJAAMM O=S(=O)([N-]c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(Br)cc1 ZINC000021711464 527251679 /nfs/dbraw/zinc/25/16/79/527251679.db2.gz USHHFCJMOIUHGV-UHFFFAOYSA-N -1 1 456.321 4.967 50 0 JJAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000000631104 553717792 /nfs/dbraw/zinc/71/77/92/553717792.db2.gz PWKNEUPXWZCPBA-UHFFFAOYSA-N -1 1 450.438 4.767 50 0 JJAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)c1ccc2c(c1)OCO2 ZINC000000672073 553745870 /nfs/dbraw/zinc/74/58/70/553745870.db2.gz DJEVCZOYERACKO-UHFFFAOYSA-N -1 1 465.314 4.775 50 0 JJAAMM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000002097716 554041151 /nfs/dbraw/zinc/04/11/51/554041151.db2.gz IMACRZBPWUHLKK-QFIPXVFZSA-N -1 1 453.491 4.620 50 0 biogenic JJAAMM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000002097716 554041155 /nfs/dbraw/zinc/04/11/55/554041155.db2.gz IMACRZBPWUHLKK-QFIPXVFZSA-N -1 1 453.491 4.620 50 0 biogenic JJAAMM Cc1ccc(S(=O)(=O)c2c(NC(=O)C=Cc3ccccc3)[n-]c3nc4ccccc4nc32)cc1 ZINC000002295305 554137563 /nfs/dbraw/zinc/13/75/63/554137563.db2.gz WXBAIFUVCXABJR-DTQAZKPQSA-N -1 1 468.538 4.904 50 0 JJAAMM CCCCCCn1c(COc2ccccc2F)nnc1SCC(=O)c1ccc([O-])cc1O ZINC000002617338 554242096 /nfs/dbraw/zinc/24/20/96/554242096.db2.gz VKLBRLLAMCDWOB-UHFFFAOYSA-N -1 1 459.543 4.963 50 0 JJAAMM COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc21 ZINC000008438983 554590121 /nfs/dbraw/zinc/59/01/21/554590121.db2.gz OVGYYYANHVMBED-UHFFFAOYSA-N -1 1 457.479 4.638 50 0 JJAAMM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(COC(=O)[C@H](C)Oc3ccccc3)nc(=O)c12 ZINC000008937386 554830761 /nfs/dbraw/zinc/83/07/61/554830761.db2.gz YPYJDKYHJCMQAB-KRWDZBQOSA-N -1 1 491.569 4.673 50 0 JJAAMM CCN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc2C1=O ZINC000008961151 554837765 /nfs/dbraw/zinc/83/77/65/554837765.db2.gz KHFVCZSROPUURV-UHFFFAOYSA-N -1 1 479.558 4.854 50 0 JJAAMM O=C(COc1ccccc1)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl ZINC000009090363 554891218 /nfs/dbraw/zinc/89/12/18/554891218.db2.gz XBIHWHVHAREBCZ-UHFFFAOYSA-N -1 1 451.331 4.812 50 0 JJAAMM O=C(NC(=S)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cccs1 ZINC000009138532 554933911 /nfs/dbraw/zinc/93/39/11/554933911.db2.gz YJVZTUDCCVCXOC-UHFFFAOYSA-N -1 1 485.534 4.695 50 0 JJAAMM CC(C)CN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2OCC(C)(C)C1=O ZINC000009168234 554952400 /nfs/dbraw/zinc/95/24/00/554952400.db2.gz JQOWYAOBJOXEFX-UHFFFAOYSA-N -1 1 456.608 4.774 50 0 JJAAMM CCc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4c(C)onc4-c4ccccc4)s3)CC2=O)cc1 ZINC000009198496 554969970 /nfs/dbraw/zinc/96/99/70/554969970.db2.gz LQOIKJJJLGUGPN-SFHVURJKSA-N -1 1 473.558 4.837 50 0 JJAAMM O=C(CCc1c[nH]c2ccccc12)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009203591 554974116 /nfs/dbraw/zinc/97/41/16/554974116.db2.gz YGXVXASPAPDKRB-UHFFFAOYSA-N -1 1 491.569 4.701 50 0 JJAAMM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009338397 555106542 /nfs/dbraw/zinc/10/65/42/555106542.db2.gz XRXXXSAQRKLREK-UHFFFAOYSA-N -1 1 450.516 4.781 50 0 JJAAMM Nc1ccccc1-c1nc([O-])c(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)s1 ZINC000009379486 555141595 /nfs/dbraw/zinc/14/15/95/555141595.db2.gz RUMZFXMKDSGYIQ-HXUWFJFHSA-N -1 1 463.946 4.571 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)Cc3ccc(Cl)cc3)c2)cc1 ZINC000009444322 555217414 /nfs/dbraw/zinc/21/74/14/555217414.db2.gz KKKYAPYSFPJNRD-UHFFFAOYSA-N -1 1 465.358 4.984 50 0 JJAAMM COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000009456189 555226075 /nfs/dbraw/zinc/22/60/75/555226075.db2.gz HQYYWZPQHHJHMG-ZDLGFXPLSA-N -1 1 476.352 4.681 50 0 JJAAMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000009456189 555226078 /nfs/dbraw/zinc/22/60/78/555226078.db2.gz HQYYWZPQHHJHMG-ZDLGFXPLSA-N -1 1 476.352 4.681 50 0 JJAAMM CC[C@H]1CCCCN1C(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2o1 ZINC000009465659 555240344 /nfs/dbraw/zinc/24/03/44/555240344.db2.gz SEIHPFZPIWOGCU-KRWDZBQOSA-N -1 1 489.619 4.520 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCC[C@@H]3C)c2)cc1 ZINC000009468807 555249492 /nfs/dbraw/zinc/24/94/92/555249492.db2.gz HOTAWGCYYVVXHR-YCRPNKLZSA-N -1 1 450.988 4.848 50 0 JJAAMM CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(Cl)cc3Cl)[n-]c2=O)cc1 ZINC000009518186 555312548 /nfs/dbraw/zinc/31/25/48/555312548.db2.gz BJTBLDADBVCCCC-UHFFFAOYSA-N -1 1 465.362 4.602 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)cc3)ccc2N2CCCC2)cc1 ZINC000009539586 555331318 /nfs/dbraw/zinc/33/13/18/555331318.db2.gz HXZBYJZDAGXUEK-UHFFFAOYSA-N -1 1 465.575 4.657 50 0 JJAAMM CC[C@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2cc(Cl)ccc2OC)c(=O)[n-]1 ZINC000013143614 555341271 /nfs/dbraw/zinc/34/12/71/555341271.db2.gz PUWZSMYRLXVISG-VIFPVBQESA-N -1 1 471.029 4.586 50 0 JJAAMM O=C(CCCc1cccs1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009548793 555345589 /nfs/dbraw/zinc/34/55/89/555345589.db2.gz BHRQJEYEPSGINU-UHFFFAOYSA-N -1 1 472.588 4.672 50 0 JJAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccco3)C2)cc1 ZINC000009640105 555349753 /nfs/dbraw/zinc/34/97/53/555349753.db2.gz BYHIMXONRWDROJ-IRLDBZIGSA-N -1 1 492.532 4.605 50 0 JJAAMM O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000009657914 555362794 /nfs/dbraw/zinc/36/27/94/555362794.db2.gz OUJBREREPQTPIZ-UHFFFAOYSA-N -1 1 470.963 4.912 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4ccccn4)cs3)c2)c1 ZINC000009657651 555362894 /nfs/dbraw/zinc/36/28/94/555362894.db2.gz RDADWRNLIGGMOH-UHFFFAOYSA-N -1 1 450.545 4.567 50 0 JJAAMM CN(Cc1nc2ccccc2s1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000009669677 555384559 /nfs/dbraw/zinc/38/45/59/555384559.db2.gz MBLHVZFSBGCLRZ-UHFFFAOYSA-N -1 1 473.526 4.648 50 0 JJAAMM O=C(N[C@H]1CCSc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000009671528 555391069 /nfs/dbraw/zinc/39/10/69/555391069.db2.gz XMBTZQYMCWUUOD-NRFANRHFSA-N -1 1 496.610 4.616 50 0 JJAAMM Cc1nc(COc2ccccc2C(=O)OCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cs1 ZINC000009712565 555437358 /nfs/dbraw/zinc/43/73/58/555437358.db2.gz GJDIMDZEIDDKNA-UHFFFAOYSA-N -1 1 479.539 4.946 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COc3ccccc3)ccc2N2CCCCC2)cc1 ZINC000009716592 555449995 /nfs/dbraw/zinc/44/99/95/555449995.db2.gz XIECLMKDRWHLID-UHFFFAOYSA-N -1 1 495.601 4.504 50 0 JJAAMM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000013514078 555484822 /nfs/dbraw/zinc/48/48/22/555484822.db2.gz VGXXSSLSPZIDOU-XPWALMASSA-N -1 1 455.901 4.939 50 0 JJAAMM CCCCOc1ccc(C=CC(=O)NC2=C(C(=O)OCC)C(C)=Nc3ccccc3[N-]2)cc1OC ZINC000013685642 555578851 /nfs/dbraw/zinc/57/88/51/555578851.db2.gz ZOBNGPFDBCCHOT-FYWRMAATSA-N -1 1 477.561 4.996 50 0 JJAAMM COc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1nc([O-])c(CC(=O)Nc2ccccc2)s1 ZINC000020134585 555658976 /nfs/dbraw/zinc/65/89/76/555658976.db2.gz IDGMNIBTESILJQ-VWNXMTODSA-N -1 1 484.581 4.873 50 0 JJAAMM CC(C)[C@H](NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1)c1cccs1 ZINC000010853104 555743557 /nfs/dbraw/zinc/74/35/57/555743557.db2.gz HRMLYPXXMNRYKT-UNMCSNQZSA-N -1 1 498.674 4.688 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCCCc3nc4ccccc4[nH]3)c2)cc1C ZINC000011484908 555783916 /nfs/dbraw/zinc/78/39/16/555783916.db2.gz YZHWGYGMCJGPLX-UHFFFAOYSA-N -1 1 497.020 4.997 50 0 JJAAMM CCn1c(C)nc2cc([N-]S(=O)(=O)c3ccccc3)cc(C(=O)N[C@H](C)Cc3ccsc3)c21 ZINC000011785260 555817429 /nfs/dbraw/zinc/81/74/29/555817429.db2.gz BWFWWVJCPDXNHY-MRXNPFEDSA-N -1 1 482.631 4.588 50 0 JJAAMM COc1ccc(Cl)cc1C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C(C)C)cc(=O)[n-]1 ZINC000011855585 555836964 /nfs/dbraw/zinc/83/69/64/555836964.db2.gz VWYALCNWGSCHQM-UHFFFAOYSA-N -1 1 469.954 4.722 50 0 JJAAMM COc1cc(OC)cc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(-c3ccccc3)cc(=O)[n-]2)c1 ZINC000011855254 555837095 /nfs/dbraw/zinc/83/70/95/555837095.db2.gz HFFVFJWFRFZLEA-UHFFFAOYSA-N -1 1 499.552 4.621 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCCCn3cnc4ccccc43)c2)c1 ZINC000015137445 555880050 /nfs/dbraw/zinc/88/00/50/555880050.db2.gz LFRXEUYKTAKQHH-UHFFFAOYSA-N -1 1 482.993 4.619 50 0 JJAAMM Cc1ccc2c(COC(=O)c3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)cc3)cc(=O)oc2c1 ZINC000015186419 555882872 /nfs/dbraw/zinc/88/28/72/555882872.db2.gz CRYRUMIABDIPQP-UHFFFAOYSA-N -1 1 477.538 4.876 50 0 JJAAMM CC(=O)c1cccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)c1 ZINC000012112499 555909103 /nfs/dbraw/zinc/90/91/03/555909103.db2.gz ICDQVFAPPMQZAT-UHFFFAOYSA-N -1 1 491.594 4.843 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1Cl ZINC000012180556 555934929 /nfs/dbraw/zinc/93/49/29/555934929.db2.gz IUPVXZGCBAVDGH-UHFFFAOYSA-N -1 1 456.951 4.742 50 0 JJAAMM COc1cccc(Cn2c(C)c(CNCc3cc(Br)ccc3OC)c(C(=O)[O-])c2C)c1 ZINC000015777094 555996881 /nfs/dbraw/zinc/99/68/81/555996881.db2.gz BXLOYLGTXCYXLP-UHFFFAOYSA-N -1 1 487.394 4.921 50 0 JJAAMM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000015827808 556014848 /nfs/dbraw/zinc/01/48/48/556014848.db2.gz IGCNIRIWALLUGJ-XMMPIXPASA-N -1 1 480.586 4.790 50 0 JJAAMM Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000012541587 556015642 /nfs/dbraw/zinc/01/56/42/556015642.db2.gz OLJKHASVXXIAQZ-UHFFFAOYSA-N -1 1 470.494 4.615 50 0 JJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)Nc1ccc(F)cc1F ZINC000012541700 556016198 /nfs/dbraw/zinc/01/61/98/556016198.db2.gz KLLDJFQDCDYHHH-UHFFFAOYSA-N -1 1 475.473 4.571 50 0 JJAAMM COc1ccc(-n2c(C)nc3ccc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3c2=O)cc1 ZINC000023143973 556022457 /nfs/dbraw/zinc/02/24/57/556022457.db2.gz WBEDIARMCJVVRL-UHFFFAOYSA-N -1 1 489.475 4.522 50 0 JJAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)ccc1Br ZINC000012557018 556043900 /nfs/dbraw/zinc/04/39/00/556043900.db2.gz FNMCQZCISYWGEA-UHFFFAOYSA-N -1 1 461.385 4.543 50 0 JJAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000015870259 556050088 /nfs/dbraw/zinc/05/00/88/556050088.db2.gz VJIQMNWGBZPWND-UHFFFAOYSA-N -1 1 486.619 4.964 50 0 JJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc(OC(F)F)cc1 ZINC000012560646 556053025 /nfs/dbraw/zinc/05/30/25/556053025.db2.gz ZAADVKUGWVIQDS-UHFFFAOYSA-N -1 1 490.484 4.502 50 0 JJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000015882177 556055266 /nfs/dbraw/zinc/05/52/66/556055266.db2.gz IHARYBBDFCPREB-UHFFFAOYSA-N -1 1 488.569 4.573 50 0 JJAAMM Cc1nc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)sc1-c1ccccn1 ZINC000023501390 556076049 /nfs/dbraw/zinc/07/60/49/556076049.db2.gz OGDOSBKMMUTRMN-UHFFFAOYSA-N -1 1 464.572 4.875 50 0 JJAAMM CCCCC(=O)N[C@]([N-]c1nc2c(ccc(Cl)c2C)s1)(C(=O)OCC)C(F)(F)F ZINC000016956964 556187633 /nfs/dbraw/zinc/18/76/33/556187633.db2.gz GRNIZLNZFGHMJF-KRWDZBQOSA-N -1 1 451.898 4.798 50 0 JJAAMM Cc1cc(N2CCCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)n1 ZINC000017013961 556204332 /nfs/dbraw/zinc/20/43/32/556204332.db2.gz KDZYLEVFPSWGCB-UHFFFAOYSA-N -1 1 457.987 4.973 50 0 JJAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2sc3cc(F)ccc3c2Cl)c1 ZINC000025329724 556209114 /nfs/dbraw/zinc/20/91/14/556209114.db2.gz ALCSBLHFLZNAAH-UHFFFAOYSA-N -1 1 456.948 4.682 50 0 JJAAMM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000017113019 556218032 /nfs/dbraw/zinc/21/80/32/556218032.db2.gz BLUDJGQWSXEXBL-UHFFFAOYSA-N -1 1 477.586 4.675 50 0 JJAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(F)cc1 ZINC000018069095 556283521 /nfs/dbraw/zinc/28/35/21/556283521.db2.gz WHZVFMLRUYEONU-UHFFFAOYSA-N -1 1 454.505 4.581 50 0 JJAAMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000013097950 556295833 /nfs/dbraw/zinc/29/58/33/556295833.db2.gz MLPDEICLZCYRSF-UHFFFAOYSA-N -1 1 450.438 4.767 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccc4c(c3)OCCCO4)ccc2C)c1 ZINC000013100727 556300497 /nfs/dbraw/zinc/30/04/97/556300497.db2.gz LLQGVGJFUALPSJ-FMIVXFBMSA-N -1 1 478.570 4.917 50 0 JJAAMM COc1ccc(CNC(=O)COc2ccc(-c3ccnc(-c4ccc(C)cc4)n3)c([O-])c2)cc1 ZINC000027994343 556312047 /nfs/dbraw/zinc/31/20/47/556312047.db2.gz YNQZABGVIYBATR-UHFFFAOYSA-N -1 1 455.514 4.528 50 0 JJAAMM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2SC2CCCCC2)n(C)c(=O)n3C)ccc1F ZINC000028049244 556314257 /nfs/dbraw/zinc/31/42/57/556314257.db2.gz IHSOLSOOYKWYBK-UHFFFAOYSA-N -1 1 463.600 4.550 50 0 JJAAMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc3c(cccc3OC)s2)cc1 ZINC000028835664 556342376 /nfs/dbraw/zinc/34/23/76/556342376.db2.gz BPFSKLBDFKGUMC-UHFFFAOYSA-N -1 1 455.565 4.653 50 0 JJAAMM O=C(NCCc1ccc(F)cc1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000013133892 556360238 /nfs/dbraw/zinc/36/02/38/556360238.db2.gz ULTJLDMQCUBROX-UHFFFAOYSA-N -1 1 466.456 4.618 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2N2CCCC2)cc1 ZINC000013137272 556368094 /nfs/dbraw/zinc/36/80/94/556368094.db2.gz AVLXBKPMIHYGEC-GIDUJCDVSA-N -1 1 495.576 4.887 50 0 JJAAMM COc1ccc2cc(C=C3C(=O)[N-]C(=S)N3C(C)=O)c(Sc3ccc(Cl)cc3)nc2c1 ZINC000031839368 556408874 /nfs/dbraw/zinc/40/88/74/556408874.db2.gz MLHHRVKZKXYWFZ-GRSHGNNSSA-N -1 1 469.975 4.652 50 0 JJAAMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000032855776 556512391 /nfs/dbraw/zinc/51/23/91/556512391.db2.gz GLEHWPBGHVZEEE-UHFFFAOYSA-N -1 1 452.367 4.924 50 0 JJAAMM COc1cccc(-n2c3nc(SCC(=O)Nc4ccc(F)cc4F)[n-]c(=O)c3sc2=S)c1 ZINC000032948292 556563496 /nfs/dbraw/zinc/56/34/96/556563496.db2.gz LZDULKJDTHUTTL-UHFFFAOYSA-N -1 1 492.554 4.522 50 0 JJAAMM Cc1ccccc1-n1c2nc(SCC(=O)NCc3ccccc3Cl)[n-]c(=O)c2sc1=S ZINC000032948417 556563651 /nfs/dbraw/zinc/56/36/51/556563651.db2.gz WDJHIXFQFUHILY-UHFFFAOYSA-N -1 1 489.047 4.875 50 0 JJAAMM Cc1ccccc1-n1c2nc(SCC(=O)Nc3ccc(F)c(F)c3)[n-]c(=O)c2sc1=S ZINC000032948468 556563990 /nfs/dbraw/zinc/56/39/90/556563990.db2.gz CAIXPOIMZCZJCM-UHFFFAOYSA-N -1 1 476.555 4.822 50 0 JJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008595828 562944238 /nfs/dbraw/zinc/94/42/38/562944238.db2.gz IPKDRWNSVXFAHM-DEOSSOPVSA-N -1 1 457.486 4.995 50 0 JJAAMM COc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007989 569615807 /nfs/dbraw/zinc/61/58/07/569615807.db2.gz UQDIFJSYYCGADU-UHFFFAOYSA-N -1 1 467.572 4.975 50 0 JJAAMM CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[n-]1)C(=O)Nc1ccc(C)c(C)c1 ZINC000064579526 569620426 /nfs/dbraw/zinc/62/04/26/569620426.db2.gz BVEALZMOLABXQE-LJQANCHMSA-N -1 1 485.631 4.758 50 0 JJAAMM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc4c(c2)CCC4)n(C)c(=O)n3C)cc1 ZINC000064580890 569620760 /nfs/dbraw/zinc/62/07/60/569620760.db2.gz SVCCFNWHPDIMSJ-UHFFFAOYSA-N -1 1 479.627 4.626 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3cccc(C)c3n2)cc1C ZINC000033026293 569621065 /nfs/dbraw/zinc/62/10/65/569621065.db2.gz VFIGKFQABZUIRK-UHFFFAOYSA-N -1 1 465.600 4.713 50 0 JJAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3ccccc3n2)cc1C ZINC000033026320 569621082 /nfs/dbraw/zinc/62/10/82/569621082.db2.gz GBRILPHTYOSHDF-UHFFFAOYSA-N -1 1 465.600 4.713 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3C)[n-]c2=O)cc1 ZINC000064591977 569622065 /nfs/dbraw/zinc/62/20/65/569622065.db2.gz GWMCKLFYLZTJMH-UHFFFAOYSA-N -1 1 485.631 4.705 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC2)nc3=O)c1 ZINC000064611794 569623196 /nfs/dbraw/zinc/62/31/96/569623196.db2.gz HXCUKKRRQJWQDS-LAUBAEHRSA-N -1 1 464.635 4.871 50 0 JJAAMM CCc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)n(C)c2C)c1 ZINC000065035987 569652892 /nfs/dbraw/zinc/65/28/92/569652892.db2.gz SFQZNAWSHZQBHV-UHFFFAOYSA-N -1 1 486.663 4.755 50 0 JJAAMM CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)c(C)n2C)nc1C ZINC000065036558 569653490 /nfs/dbraw/zinc/65/34/90/569653490.db2.gz MVNZYIMGGDXOHX-UHFFFAOYSA-N -1 1 488.679 4.974 50 0 JJAAMM O=C1N(Cc2ccc(F)cc2)CCCN1c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000034737635 569654581 /nfs/dbraw/zinc/65/45/81/569654581.db2.gz PZVMIWKEIUXKCZ-UHFFFAOYSA-N -1 1 457.502 4.598 50 0 JJAAMM CC[C@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059719 569654780 /nfs/dbraw/zinc/65/47/80/569654780.db2.gz DQPIPLVUULIJHW-HNNXBMFYSA-N -1 1 459.955 4.856 50 0 JJAAMM CC[C@@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000065059746 569655032 /nfs/dbraw/zinc/65/50/32/569655032.db2.gz UCWRLIWBRYRDJE-GOSISDBHSA-N -1 1 453.564 4.820 50 0 JJAAMM CC[C@@H](C)NC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000065063597 569657031 /nfs/dbraw/zinc/65/70/31/569657031.db2.gz HOITVQQKMQJUAJ-OAHLLOKOSA-N -1 1 459.955 4.856 50 0 JJAAMM Cc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)nc3ccccc3n12 ZINC000065096430 569660907 /nfs/dbraw/zinc/66/09/07/569660907.db2.gz BNFZKJAKYHCNDL-UHFFFAOYSA-N -1 1 465.922 4.832 50 0 JJAAMM [O-]c1c(Br)cc(Br)cc1/C=C/c1ccc(CN2CCOCC2)cc1 ZINC000067321416 569687311 /nfs/dbraw/zinc/68/73/11/569687311.db2.gz BTBKODJMDWGMMR-AATRIKPKSA-N -1 1 453.174 4.920 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000069537973 569693264 /nfs/dbraw/zinc/69/32/64/569693264.db2.gz LSGAQOLGIYWQGE-UHFFFAOYSA-N -1 1 471.529 4.927 50 0 JJAAMM Cc1ccc([C@H]2CC(c3cccc([N-]S(=O)(=O)c4ccccc4)c3)=NN2C(=O)C(C)C)o1 ZINC000079047003 569706709 /nfs/dbraw/zinc/70/67/09/569706709.db2.gz QYTCAPCLPSXIEK-JOCHJYFZSA-N -1 1 451.548 4.723 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cccc5nccnc53)CC(=O)O4)c2=O)cc1 ZINC000085878047 569716152 /nfs/dbraw/zinc/71/61/52/569716152.db2.gz YQMOFDAQHRODIT-KRWDZBQOSA-N -1 1 466.449 4.558 50 0 biogenic JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cccc3nccnc32)cc1 ZINC000085878047 569716153 /nfs/dbraw/zinc/71/61/53/569716153.db2.gz YQMOFDAQHRODIT-KRWDZBQOSA-N -1 1 466.449 4.558 50 0 biogenic JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057081 569716906 /nfs/dbraw/zinc/71/69/06/569716906.db2.gz MVMLIKCLTHZONB-SFHVURJKSA-N -1 1 465.575 4.641 50 0 JJAAMM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000086057042 569716982 /nfs/dbraw/zinc/71/69/82/569716982.db2.gz UTJGHYDDGFMBBX-GOSISDBHSA-N -1 1 465.575 4.642 50 0 JJAAMM CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1OCC ZINC000086057055 569716986 /nfs/dbraw/zinc/71/69/86/569716986.db2.gz VRXRNUYQRNFTQG-SFHVURJKSA-N -1 1 465.575 4.642 50 0 JJAAMM CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000086057155 569717165 /nfs/dbraw/zinc/71/71/65/569717165.db2.gz UKVSFPNBKHLFDB-SFHVURJKSA-N -1 1 465.575 4.642 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057510 569717287 /nfs/dbraw/zinc/71/72/87/569717287.db2.gz QEWWSAVNZHIUBK-KRWDZBQOSA-N -1 1 485.993 4.986 50 0 JJAAMM CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000086057478 569717293 /nfs/dbraw/zinc/71/72/93/569717293.db2.gz UTUDTXKHXVNQLR-KRWDZBQOSA-N -1 1 485.993 4.987 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057427 569717343 /nfs/dbraw/zinc/71/73/43/569717343.db2.gz NPALNDJQLDHSBS-INIZCTEOSA-N -1 1 485.993 4.986 50 0 JJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1 ZINC000086057522 569717347 /nfs/dbraw/zinc/71/73/47/569717347.db2.gz WTVYTLYOPBMTDT-SFHVURJKSA-N -1 1 455.967 4.979 50 0 JJAAMM COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096114537 569733723 /nfs/dbraw/zinc/73/37/23/569733723.db2.gz LDXCOKRPSXMUJX-GOSISDBHSA-N -1 1 496.475 4.711 50 0 biogenic JJAAMM COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096114537 569733724 /nfs/dbraw/zinc/73/37/24/569733724.db2.gz LDXCOKRPSXMUJX-GOSISDBHSA-N -1 1 496.475 4.711 50 0 biogenic JJAAMM COc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccccc6)oc-5c43)c(=O)c2c1 ZINC000096115990 569735031 /nfs/dbraw/zinc/73/50/31/569735031.db2.gz SJAYSISSMATSJC-INIZCTEOSA-N -1 1 482.444 4.722 50 0 biogenic JJAAMM COc1ccc(-c2n[nH]cc2[C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000096118194 569735916 /nfs/dbraw/zinc/73/59/16/569735916.db2.gz SGZLHMXLQUYNTL-YWZLYKJASA-N -1 1 453.568 4.591 50 0 JJAAMM COc1ccc(-c2n[nH]cc2[C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000096118193 569735992 /nfs/dbraw/zinc/73/59/92/569735992.db2.gz SGZLHMXLQUYNTL-QRWLVFNGSA-N -1 1 453.568 4.591 50 0 JJAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc2c(c1)OCO2 ZINC000100081921 569752674 /nfs/dbraw/zinc/75/26/74/569752674.db2.gz NUCQLNBXDZQCDU-DQEYMECFSA-N -1 1 480.524 4.577 50 0 JJAAMM CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)ccc1O ZINC000101142622 569784506 /nfs/dbraw/zinc/78/45/06/569784506.db2.gz CLFLKKAXZPKSEK-VXNXHJTFSA-N -1 1 478.932 4.804 50 0 JJAAMM CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101211839 569787202 /nfs/dbraw/zinc/78/72/02/569787202.db2.gz GSABNNPPGFSLPR-GVAUOCQISA-N -1 1 458.514 4.535 50 0 JJAAMM Cc1cc(C)cc(-n2c([O-])c(C3=Nc4ccccc4S[C@@H](c4cccc(O)c4)C3)c(=O)[nH]c2=O)c1 ZINC000101766839 569805028 /nfs/dbraw/zinc/80/50/28/569805028.db2.gz GNDHZTYLQINGJF-HSZRJFAPSA-N -1 1 485.565 4.912 50 0 JJAAMM COc1ccc([C@@H](C)NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc1OC ZINC000101827984 569805547 /nfs/dbraw/zinc/80/55/47/569805547.db2.gz MISRYPRHBMDCEU-GOSISDBHSA-N -1 1 496.567 4.944 50 0 JJAAMM Cc1nc2[n-]c(N(Cc3ccc(F)cc3)C(=O)C3CCCCC3)nn2c(=O)c1Cc1ccccc1 ZINC000101861115 569806344 /nfs/dbraw/zinc/80/63/44/569806344.db2.gz RPXOBDZMIPWSFL-UHFFFAOYSA-N -1 1 473.552 4.569 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)c3cccs3)nn2c1=O ZINC000101861353 569806472 /nfs/dbraw/zinc/80/64/72/569806472.db2.gz AVVQMOIXWURQJM-UHFFFAOYSA-N -1 1 455.971 4.631 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3ccc(OC)cc3)nn2c1=O ZINC000101878500 569806848 /nfs/dbraw/zinc/80/68/48/569806848.db2.gz ONWVOWSIMKBGAH-UHFFFAOYSA-N -1 1 479.968 4.578 50 0 JJAAMM Cc1ncsc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000040106470 569816246 /nfs/dbraw/zinc/81/62/46/569816246.db2.gz IMDJDIMUFIIECT-UHFFFAOYSA-N -1 1 466.382 4.576 50 0 JJAAMM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000102707650 569816896 /nfs/dbraw/zinc/81/68/96/569816896.db2.gz JUSZSBMTAKZIPZ-KKUQBAQOSA-N -1 1 450.494 4.900 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCc4cc(F)cc(F)c4)C2)nc3=O)cc1 ZINC000049421288 569846979 /nfs/dbraw/zinc/84/69/79/569846979.db2.gz QEWCFDKKNROEBG-SFHVURJKSA-N -1 1 494.567 4.771 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCc4cccs4)C2)nc3=O)cc1 ZINC000049421297 569847066 /nfs/dbraw/zinc/84/70/66/569847066.db2.gz DUDSCJGICBIAEQ-QGZVFWFLSA-N -1 1 464.616 4.554 50 0 JJAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NC4CCCCCC4)C2)nc3=O)c1 ZINC000049421340 569847313 /nfs/dbraw/zinc/84/73/13/569847313.db2.gz YWKZPXSYBAQNQR-SFHVURJKSA-N -1 1 480.634 4.716 50 0 JJAAMM CCOc1cccc([C@@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(=O)CC)c1 ZINC000170612521 569872850 /nfs/dbraw/zinc/87/28/50/569872850.db2.gz PEAVOOOUSPCJGX-VWLOTQADSA-N -1 1 477.586 4.974 50 0 JJAAMM Cc1cc(NN=Cc2cccnc2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000252603981 570085326 /nfs/dbraw/zinc/08/53/26/570085326.db2.gz FWAAZCWWKKMKRH-UHFFFAOYSA-N -1 1 463.133 4.524 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc(OC)c1O ZINC000253414659 570098706 /nfs/dbraw/zinc/09/87/06/570098706.db2.gz YCZZFMHHDJOBOZ-HNNXBMFYSA-N -1 1 494.883 4.983 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccsc3)CC(=O)O4)c2=O)cc1OC ZINC000263585680 570171184 /nfs/dbraw/zinc/17/11/84/570171184.db2.gz LHQHMAQSAROYLN-CQSZACIVSA-N -1 1 450.468 4.685 50 0 JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccsc2)cc1OC ZINC000263585680 570171186 /nfs/dbraw/zinc/17/11/86/570171186.db2.gz LHQHMAQSAROYLN-CQSZACIVSA-N -1 1 450.468 4.685 50 0 JJAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c(C)c1 ZINC000001146836 194048317 /nfs/dbraw/zinc/04/83/17/194048317.db2.gz WAFUUHXBUROVKT-UHFFFAOYSA-N -1 1 458.605 4.830 50 0 JJAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000001137589 194042719 /nfs/dbraw/zinc/04/27/19/194042719.db2.gz KIYHLHVNXXTLKP-UHFFFAOYSA-N -1 1 457.360 4.595 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000001139852 194044218 /nfs/dbraw/zinc/04/42/18/194044218.db2.gz RTZUBKGRYSISLJ-UHFFFAOYSA-N -1 1 452.557 4.750 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000001143936 194046403 /nfs/dbraw/zinc/04/64/03/194046403.db2.gz RABLTXVKAIBUHP-UHFFFAOYSA-N -1 1 480.995 4.649 50 0 JJAAMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001149493 194049725 /nfs/dbraw/zinc/04/97/25/194049725.db2.gz XDWCHPIXRREKIZ-UHFFFAOYSA-N -1 1 471.387 4.903 50 0 JJAAMM 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/nfs/dbraw/zinc/29/21/02/554292102.db2.gz UVXKPJSMQZNKAT-UHFFFAOYSA-N -1 1 484.628 4.802 50 0 aggregator JJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccc(C)cc3)ccc2C)cc1 ZINC000002879504 554400814 /nfs/dbraw/zinc/40/08/14/554400814.db2.gz ALOCSDLDPLYPCB-UHFFFAOYSA-N -1 1 454.617 4.935 50 0 JJAAMM CC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)C(=O)C1CCCOc1ccccc1 ZINC000003056921 554425142 /nfs/dbraw/zinc/42/51/42/554425142.db2.gz FQCXYZCMSXOPCX-UHFFFAOYSA-N -1 1 480.542 4.937 50 0 JJAAMM Cc1[nH]n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)c(=O)c1CCCOc1ccccc1 ZINC000003056921 554425146 /nfs/dbraw/zinc/42/51/46/554425146.db2.gz FQCXYZCMSXOPCX-UHFFFAOYSA-N -1 1 480.542 4.937 50 0 JJAAMM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000008740406 554642580 /nfs/dbraw/zinc/64/25/80/554642580.db2.gz CGBMNTFDANGFBQ-REWPJTCUSA-N -1 1 478.346 4.593 50 0 biogenic JJAAMM C[C@@H]1C[C@@H](C)CN(c2nnc([N-]C(=O)c3cc(-c4ccc(Br)cc4)on3)s2)C1 ZINC000008911516 554800581 /nfs/dbraw/zinc/80/05/81/554800581.db2.gz CEAPDVLEWZPRAS-VXGBXAGGSA-N -1 1 462.373 4.690 50 0 JJAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 ZINC000008961501 554837956 /nfs/dbraw/zinc/83/79/56/554837956.db2.gz GOIASEFNTJCTEJ-UHFFFAOYSA-N -1 1 465.531 4.527 50 0 JJAAMM Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)o1 ZINC000009116286 554903749 /nfs/dbraw/zinc/90/37/49/554903749.db2.gz JXBLAQMTXHYLDJ-AWEZNQCLSA-N -1 1 452.454 4.899 50 0 JJAAMM C[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009155421 554945556 /nfs/dbraw/zinc/94/55/56/554945556.db2.gz KTBNGJHCLCHCKH-ACJLOTCBSA-N -1 1 477.567 4.759 50 0 JJAAMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1 ZINC000009198486 554969955 /nfs/dbraw/zinc/96/99/55/554969955.db2.gz QYLLTTPQRHUHTQ-SFHVURJKSA-N -1 1 473.558 4.891 50 0 JJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc(-c2ccccc2F)o1 ZINC000009203468 554973815 /nfs/dbraw/zinc/97/38/15/554973815.db2.gz QUNDFVYTDGABMM-UHFFFAOYSA-N -1 1 494.500 4.910 50 0 JJAAMM COc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCCCC2)ccc1NC(C)=O ZINC000009338421 555106638 /nfs/dbraw/zinc/10/66/38/555106638.db2.gz CAFUJYAQKWAXBI-UHFFFAOYSA-N -1 1 485.528 4.854 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)ccc1OCc1ccccc1C ZINC000009409684 555174950 /nfs/dbraw/zinc/17/49/50/555174950.db2.gz UKKQAJRVJVJAGJ-NRFANRHFSA-N -1 1 467.525 4.807 50 0 JJAAMM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000009442669 555215103 /nfs/dbraw/zinc/21/51/03/555215103.db2.gz XZMXLMJUVLQRKB-UHFFFAOYSA-N -1 1 487.585 4.725 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1 ZINC000009468810 555249521 /nfs/dbraw/zinc/24/95/21/555249521.db2.gz HOTAWGCYYVVXHR-QVKFZJNVSA-N -1 1 450.988 4.848 50 0 JJAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccco3)C2)cc1 ZINC000009640111 555349680 /nfs/dbraw/zinc/34/96/80/555349680.db2.gz BYHIMXONRWDROJ-RBBKRZOGSA-N -1 1 492.532 4.605 50 0 JJAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000009578446 555379544 /nfs/dbraw/zinc/37/95/44/555379544.db2.gz BHWAHSVLBAIMKB-IBGZPJMESA-N -1 1 488.972 4.544 50 0 JJAAMM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000009586284 555396615 /nfs/dbraw/zinc/39/66/15/555396615.db2.gz BQGFZXIXBBPRBS-UHFFFAOYSA-N -1 1 480.464 4.776 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)CCc3cnn(-c4ccccc4)c3)c2)c1 ZINC000009603514 555429829 /nfs/dbraw/zinc/42/98/29/555429829.db2.gz FRWKKLAAXSVLSP-UHFFFAOYSA-N -1 1 474.586 4.861 50 0 JJAAMM CCOC(=O)C1=C[C@]2(C)CCCN3CCc4c5c(cccc5[N-]S(=O)(=O)c5ccccc5)n1c4[C@@H]32 ZINC000019880470 555525584 /nfs/dbraw/zinc/52/55/84/555525584.db2.gz ATZAJBHVZRCWDV-VPUSJEBWSA-N -1 1 491.613 4.559 50 0 JJAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)c1C ZINC000019924457 555540437 /nfs/dbraw/zinc/54/04/37/555540437.db2.gz ZACJSVMMORIKKG-UHFFFAOYSA-N -1 1 491.657 4.679 50 0 JJAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cnn2c1nccc2-c1ccco1 ZINC000013644503 555550006 /nfs/dbraw/zinc/55/00/06/555550006.db2.gz PXTSFQPOYZOGIK-UHFFFAOYSA-N -1 1 493.932 4.696 50 0 JJAAMM COc1cc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)ccc1OC(F)F ZINC000009981072 555581425 /nfs/dbraw/zinc/58/14/25/555581425.db2.gz XDPCWWGXRBSKQO-UHFFFAOYSA-N -1 1 458.442 4.619 50 0 JJAAMM Cc1cc(OCc2ccc(-c3n[n-]c(=S)n3CCCN3CCOCC3)cc2)ccc1Cl ZINC000020028649 555604202 /nfs/dbraw/zinc/60/42/02/555604202.db2.gz PJMOZZBATYKDRD-UHFFFAOYSA-N -1 1 459.015 4.871 50 0 JJAAMM C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000013815715 555629304 /nfs/dbraw/zinc/62/93/04/555629304.db2.gz BLMYAPYPIKGCBD-AWEZNQCLSA-N -1 1 458.008 4.786 50 0 JJAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 ZINC000013936113 555648478 /nfs/dbraw/zinc/64/84/78/555648478.db2.gz VHFSODDOBGJZTJ-UHFFFAOYSA-N -1 1 461.952 4.678 50 0 JJAAMM O=S(=O)([N-]c1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000014057702 555675124 /nfs/dbraw/zinc/67/51/24/555675124.db2.gz FFWUMPBOYHOHSY-UHFFFAOYSA-N -1 1 496.474 4.673 50 0 JJAAMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(C)c1C ZINC000020293932 555762651 /nfs/dbraw/zinc/76/26/51/555762651.db2.gz CLJIZJDLFYCORU-UHFFFAOYSA-N -1 1 484.643 4.781 50 0 JJAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c(C)cc1Cl ZINC000020344707 555778758 /nfs/dbraw/zinc/77/87/58/555778758.db2.gz HNYUGFSRCSHARJ-IRXDYDNUSA-N -1 1 471.044 4.709 50 0 JJAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)c(C)cc1Cl ZINC000020344703 555778768 /nfs/dbraw/zinc/77/87/68/555778768.db2.gz HNYUGFSRCSHARJ-CALCHBBNSA-N -1 1 471.044 4.709 50 0 JJAAMM Cc1oc(-c2ccccc2[N-]S(C)(=O)=O)nc1CN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000011785281 555817399 /nfs/dbraw/zinc/81/73/99/555817399.db2.gz UFIVNTCLNXDAPP-UHFFFAOYSA-N -1 1 469.485 4.552 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)cc1 ZINC000020570938 555823171 /nfs/dbraw/zinc/82/31/71/555823171.db2.gz ZDCGHLRARCMDIO-UHFFFAOYSA-N -1 1 465.556 4.872 50 0 JJAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)COc2ccc(C(C)C)cc2)[n-]c(=O)c1C ZINC000011854960 555836765 /nfs/dbraw/zinc/83/67/65/555836765.db2.gz URSPLEFVLXNLIB-UHFFFAOYSA-N -1 1 463.563 4.854 50 0 JJAAMM Cc1ccccc1C(=O)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000011855238 555837040 /nfs/dbraw/zinc/83/70/40/555837040.db2.gz YMOMIAUYFHHNAN-UHFFFAOYSA-N -1 1 453.527 4.912 50 0 JJAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000011855629 555837323 /nfs/dbraw/zinc/83/73/23/555837323.db2.gz QYRHOOKVWBFDOI-UHFFFAOYSA-N -1 1 453.955 4.642 50 0 JJAAMM CCc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000012006910 555883866 /nfs/dbraw/zinc/88/38/66/555883866.db2.gz JRXREFCPNCNIRA-UHFFFAOYSA-N -1 1 479.540 4.939 50 0 JJAAMM O=C(CCCc1ccccc1)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000012009317 555884187 /nfs/dbraw/zinc/88/41/87/555884187.db2.gz BBENWFRZGDVTRF-UHFFFAOYSA-N -1 1 465.513 4.844 50 0 JJAAMM O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)NCc1ccccc1Cl ZINC000012112469 555908842 /nfs/dbraw/zinc/90/88/42/555908842.db2.gz WOTHWKVIJXQMBY-UHFFFAOYSA-N -1 1 498.029 4.971 50 0 JJAAMM COc1ccccc1NC(=O)CSc1[n-]c(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112519 555909189 /nfs/dbraw/zinc/90/91/89/555909189.db2.gz JREMTERAHKRAQJ-UHFFFAOYSA-N -1 1 493.610 4.957 50 0 JJAAMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OC ZINC000015589235 555917180 /nfs/dbraw/zinc/91/71/80/555917180.db2.gz TWWKIMWAXQOACF-UHFFFAOYSA-N -1 1 480.464 4.776 50 0 JJAAMM CCN(Cc1ccccc1)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2)cc2nc(C)n(CC)c21 ZINC000012160084 555930592 /nfs/dbraw/zinc/93/05/92/555930592.db2.gz MFHKJQZYZLXUFU-UHFFFAOYSA-N -1 1 476.602 4.828 50 0 JJAAMM CC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(OCc5ccccc5)cc43)CC2)cc1 ZINC000012321152 555951419 /nfs/dbraw/zinc/95/14/19/555951419.db2.gz SDLLPNDNGOFJFV-MUUNZHRXSA-N -1 1 483.568 4.897 50 0 JJAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)C(C(=O)OC)=C(C)N2 ZINC000012377776 555966534 /nfs/dbraw/zinc/96/65/34/555966534.db2.gz NBMXOGNZIASUJO-OAQYLSRUSA-N -1 1 499.596 4.739 50 0 JJAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000012393230 555975339 /nfs/dbraw/zinc/97/53/39/555975339.db2.gz NSBHQDSFSUBQJC-UHFFFAOYSA-N -1 1 489.567 4.669 50 0 JJAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)C1CCC1 ZINC000012526231 555994369 /nfs/dbraw/zinc/99/43/69/555994369.db2.gz MRVGTUCXLJFPOF-UHFFFAOYSA-N -1 1 467.513 4.845 50 0 JJAAMM CC(=O)Nc1ccc(Nc2nc3cc(S(=O)(=O)[N-]c4cccc(Cl)c4)ccc3o2)cc1 ZINC000012545165 556021065 /nfs/dbraw/zinc/02/10/65/556021065.db2.gz NPSLCCKSHANBHW-UHFFFAOYSA-N -1 1 456.911 4.984 50 0 JJAAMM CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)c1 ZINC000023155472 556025286 /nfs/dbraw/zinc/02/52/86/556025286.db2.gz RCPNCSJERBZPIT-UHFFFAOYSA-N -1 1 473.348 4.705 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)c2)cc1 ZINC000012548502 556026531 /nfs/dbraw/zinc/02/65/31/556026531.db2.gz PHEZVDFZDROFDR-UHFFFAOYSA-N -1 1 488.949 4.563 50 0 JJAAMM Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012557123 556044134 /nfs/dbraw/zinc/04/41/34/556044134.db2.gz LQEGBEODHAASGD-UHFFFAOYSA-N -1 1 474.586 4.562 50 0 JJAAMM Cc1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000012560552 556052544 /nfs/dbraw/zinc/05/25/44/556052544.db2.gz UZVBPPSLAXDXSV-UHFFFAOYSA-N -1 1 451.367 4.872 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000012560715 556053058 /nfs/dbraw/zinc/05/30/58/556053058.db2.gz LBZLKRLJIQIZJK-VWLOTQADSA-N -1 1 480.586 4.694 50 0 JJAAMM CCCc1cc(=O)[n-]c(S[C@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccccc2)n1 ZINC000012566771 556065360 /nfs/dbraw/zinc/06/53/60/556065360.db2.gz PMVIARZJZJTETP-RPWUZVMVSA-N -1 1 477.611 4.742 50 0 JJAAMM O=C(COc1ccccc1)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000016035507 556118883 /nfs/dbraw/zinc/11/88/83/556118883.db2.gz AVQBCHXNMJGXOX-UHFFFAOYSA-N -1 1 451.331 4.812 50 0 JJAAMM CC(=O)Nc1ccc(CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2C)cc1 ZINC000024769520 556153552 /nfs/dbraw/zinc/15/35/52/556153552.db2.gz UJRKQHYKPGJFBH-UHFFFAOYSA-N -1 1 471.966 4.589 50 0 JJAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCc2cn3ccsc3n2)c1 ZINC000024970772 556165889 /nfs/dbraw/zinc/16/58/89/556165889.db2.gz GDYUKXWYKFIYHB-UHFFFAOYSA-N -1 1 482.631 4.733 50 0 JJAAMM CC(C)(C)c1ccc(O)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)c1 ZINC000017361162 556259787 /nfs/dbraw/zinc/25/97/87/556259787.db2.gz NNPAVYKXFGKYEI-UHFFFAOYSA-N -1 1 482.558 4.514 50 0 JJAAMM CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000017960425 556273176 /nfs/dbraw/zinc/27/31/76/556273176.db2.gz JPEHAEOPITZOBD-UHFFFAOYSA-N -1 1 480.586 4.538 50 0 JJAAMM COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cc(Br)ccc2Cl)c1 ZINC000027527816 556289628 /nfs/dbraw/zinc/28/96/28/556289628.db2.gz XWZLNSUXBSRRTE-UHFFFAOYSA-N -1 1 484.737 4.872 50 0 JJAAMM Cc1cccc2sc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCCO5)cc3)nc21 ZINC000028835610 556342527 /nfs/dbraw/zinc/34/25/27/556342527.db2.gz BVCXPYXUWFFTEI-UHFFFAOYSA-N -1 1 495.582 4.819 50 0 JJAAMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1cccc(Nc2ncccn2)c1 ZINC000030650880 556368882 /nfs/dbraw/zinc/36/88/82/556368882.db2.gz KPJHLIAUESVVRA-UHFFFAOYSA-N -1 1 495.948 4.632 50 0 JJAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000031390609 556396445 /nfs/dbraw/zinc/39/64/45/556396445.db2.gz FUHFYKMNUKNRAN-SFHVURJKSA-N -1 1 465.604 4.980 50 0 JJAAMM O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000031564411 556399428 /nfs/dbraw/zinc/39/94/28/556399428.db2.gz BJUZCOIZWZNZJC-UHFFFAOYSA-N -1 1 468.535 4.727 50 0 JJAAMM C[C@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2S1 ZINC000032943988 556556364 /nfs/dbraw/zinc/55/63/64/556556364.db2.gz YCUBRHPTCFQNET-LBPRGKRZSA-N -1 1 456.511 4.743 50 0 JJAAMM COc1cccc(-n2c3nc(SCC(=O)Nc4ccc(F)c(F)c4)[n-]c(=O)c3sc2=S)c1 ZINC000032948307 556563288 /nfs/dbraw/zinc/56/32/88/556563288.db2.gz IEEMURDLEIFGIO-UHFFFAOYSA-N -1 1 492.554 4.522 50 0 JJAAMM C[C@H]1CCCCN1C(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000032948362 556563673 /nfs/dbraw/zinc/56/36/73/556563673.db2.gz PORWTZODXIRLRJ-NSHDSACASA-N -1 1 467.041 4.651 50 0 JJAAMM Cc1ccc(F)cc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[n-]1 ZINC000032948489 556564052 /nfs/dbraw/zinc/56/40/52/556564052.db2.gz GZQVLHIAMDJBHP-UHFFFAOYSA-N -1 1 472.592 4.992 50 0 JJAAMM Cc1ccccc1-n1c2nc(SCC(=O)Nc3ccc(F)cc3F)[n-]c(=O)c2sc1=S ZINC000032948446 556564081 /nfs/dbraw/zinc/56/40/81/556564081.db2.gz YPUZFRZQSWCFOW-UHFFFAOYSA-N -1 1 476.555 4.822 50 0 JJAAMM Cc1c(C(=O)Nc2ccccc2)sc2[n-]c(-c3cc4cc(Cl)ccc4oc3=O)nc(=O)c12 ZINC000008588206 562941283 /nfs/dbraw/zinc/94/12/83/562941283.db2.gz BRUMVBVPSNZTKL-UHFFFAOYSA-N -1 1 463.902 4.972 50 0 JJAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000008609807 562947381 /nfs/dbraw/zinc/94/73/81/562947381.db2.gz JRWWCMMYBIPSJA-UHFFFAOYSA-N -1 1 466.460 4.703 50 0 JJAAMM COc1ccccc1OCCCSc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[n-]n21 ZINC000008673347 562950161 /nfs/dbraw/zinc/95/01/61/562950161.db2.gz SPZPFUHOKVBSQH-UHFFFAOYSA-N -1 1 464.591 4.952 50 0 JJAAMM Cc1ccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCC4=CCCCC4)c(=O)c3c2)cc1C ZINC000006181258 569588561 /nfs/dbraw/zinc/58/85/61/569588561.db2.gz IBZIGXMMPREWCO-UHFFFAOYSA-N -1 1 493.629 4.590 50 0 JJAAMM COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(F)cc1C)c1ccccc21 ZINC000008439311 569589918 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OVBZSLPTHLYIJL-UHFFFAOYSA-N -1 1 471.947 4.862 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)N(CC)c3cccc(C)c3)[n-]c2=O)cc1 ZINC000064591987 569622083 /nfs/dbraw/zinc/62/20/83/569622083.db2.gz PRNJTEFCUOCLOJ-UHFFFAOYSA-N -1 1 499.658 4.811 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3CC)[n-]c2=O)cc1 ZINC000064591981 569622087 /nfs/dbraw/zinc/62/20/87/569622087.db2.gz QQKFMVMYMQRVGE-UHFFFAOYSA-N -1 1 485.631 4.651 50 0 JJAAMM O=c1nc(N2CCN(c3ccccc3F)CC2)[n-]c2c(-c3cccc(Br)c3)csc21 ZINC000064611601 569622986 /nfs/dbraw/zinc/62/29/86/569622986.db2.gz AQBPLZHQKAYXAY-UHFFFAOYSA-N -1 1 485.382 4.880 50 0 JJAAMM O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc21 ZINC000064862274 569639635 /nfs/dbraw/zinc/63/96/35/569639635.db2.gz TWJLDLIJLBRFQC-UHFFFAOYSA-N -1 1 467.513 4.911 50 0 JJAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)ccc1Br ZINC000065021058 569648387 /nfs/dbraw/zinc/64/83/87/569648387.db2.gz XXYPMLFIFVZAMC-UHFFFAOYSA-N -1 1 465.413 4.839 50 0 JJAAMM CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccc(CC)cc3)c1)NC(=O)CCC2=O ZINC000065011094 569648081 /nfs/dbraw/zinc/64/80/81/569648081.db2.gz GXDDIFGRGJFHOZ-UHFFFAOYSA-N -1 1 480.590 4.547 50 0 JJAAMM CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)NC(=O)CCC2=O ZINC000065011084 569648135 /nfs/dbraw/zinc/64/81/35/569648135.db2.gz AZIRZLLOJSMVNY-UHFFFAOYSA-N -1 1 486.981 4.638 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3C)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035914 569652866 /nfs/dbraw/zinc/65/28/66/569652866.db2.gz GLSDBHQBOFLZQK-UHFFFAOYSA-N -1 1 486.663 4.809 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065036012 569652884 /nfs/dbraw/zinc/65/28/84/569652884.db2.gz XSQAQSPMZJEPJQ-UHFFFAOYSA-N -1 1 472.636 4.501 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065036026 569652910 /nfs/dbraw/zinc/65/29/10/569652910.db2.gz AGWLJLPMWGOZSD-UHFFFAOYSA-N -1 1 472.636 4.501 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)c(C)n2C)sc1C(=O)N1CCCCCC1 ZINC000065036339 569653285 /nfs/dbraw/zinc/65/32/85/569653285.db2.gz CNBYYOXPYLFECY-UHFFFAOYSA-N -1 1 486.663 4.891 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(C)n2C)sc1C(=O)N1CCCC1 ZINC000065036491 569653511 /nfs/dbraw/zinc/65/35/11/569653511.db2.gz PNAPOQBBQVFUJH-UHFFFAOYSA-N -1 1 497.017 4.595 50 0 JJAAMM CC[C@@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000065059735 569654896 /nfs/dbraw/zinc/65/48/96/569654896.db2.gz GXVNICXGWFCCFK-GOSISDBHSA-N -1 1 453.564 4.820 50 0 JJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000065116366 569666334 /nfs/dbraw/zinc/66/63/34/569666334.db2.gz HAYDBKLYWGYBRM-UHFFFAOYSA-N -1 1 451.907 4.764 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137498 569668359 /nfs/dbraw/zinc/66/83/59/569668359.db2.gz VWJSPWQYTMDJTJ-UHFFFAOYSA-N -1 1 472.636 4.501 50 0 JJAAMM Cc1ccc(-c2noc(C(=O)N3CCCCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000065319110 569673674 /nfs/dbraw/zinc/67/36/74/569673674.db2.gz AZSPQTQXHZVDKL-UHFFFAOYSA-N -1 1 492.960 4.655 50 0 JJAAMM CCOC(=O)C1CCN(c2nc(=O)c3scc(-c4ccc(Cl)c(Cl)c4)c3[n-]2)CC1 ZINC000067245903 569681992 /nfs/dbraw/zinc/68/19/92/569681992.db2.gz YGOGYUWASNSEBQ-UHFFFAOYSA-N -1 1 452.363 4.738 50 0 JJAAMM CCOc1ccc([C@H]2CCCN2C(=O)CCn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000072242452 569701070 /nfs/dbraw/zinc/70/10/70/569701070.db2.gz GJVPOZZFVUKEOF-OAQYLSRUSA-N -1 1 452.580 4.769 50 0 JJAAMM O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000078752109 569706704 /nfs/dbraw/zinc/70/67/04/569706704.db2.gz FTVYWRCJZGREMC-UHFFFAOYSA-N -1 1 492.626 4.759 50 0 JJAAMM CCOc1ccc([C@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(=O)CC)cc1 ZINC000035684045 569706836 /nfs/dbraw/zinc/70/68/36/569706836.db2.gz CGNAVWKYWAULEI-RUZDIDTESA-N -1 1 477.586 4.974 50 0 JJAAMM CCOc1ccc([C@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(C)=O)cc1 ZINC000035684047 569706838 /nfs/dbraw/zinc/70/68/38/569706838.db2.gz JCDCZCPIOLXINL-RUZDIDTESA-N -1 1 463.559 4.584 50 0 JJAAMM Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c2)ccc1=O ZINC000085651974 569713750 /nfs/dbraw/zinc/71/37/50/569713750.db2.gz ARUHQICVKUDJOF-UHFFFAOYSA-N -1 1 484.965 4.575 50 0 JJAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc(F)c(Br)c2)CC(=O)N3)c1 ZINC000086057192 569717107 /nfs/dbraw/zinc/71/71/07/569717107.db2.gz MVOVJRVQQGATPL-AWEZNQCLSA-N -1 1 474.355 4.746 50 0 JJAAMM CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1OCC ZINC000086057174 569717137 /nfs/dbraw/zinc/71/71/37/569717137.db2.gz BLOXJEYNQAEFLM-GOSISDBHSA-N -1 1 465.575 4.642 50 0 JJAAMM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000086057480 569717275 /nfs/dbraw/zinc/71/72/75/569717275.db2.gz UTUDTXKHXVNQLR-QGZVFWFLSA-N -1 1 485.993 4.987 50 0 JJAAMM CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)ccc1OC ZINC000086057402 569717341 /nfs/dbraw/zinc/71/73/41/569717341.db2.gz IXEZCDJIAAYDBI-HNNXBMFYSA-N -1 1 471.966 4.597 50 0 JJAAMM CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000086057549 569717415 /nfs/dbraw/zinc/71/74/15/569717415.db2.gz OEPJYQBUBWZWSK-KRWDZBQOSA-N -1 1 455.967 4.979 50 0 JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086057720 569717423 /nfs/dbraw/zinc/71/74/23/569717423.db2.gz RHKQBKYFDHZHKB-QGZVFWFLSA-N -1 1 483.565 4.719 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086057836 569717612 /nfs/dbraw/zinc/71/76/12/569717612.db2.gz HHRDBZGBJOFWSD-SFHVURJKSA-N -1 1 483.565 4.719 50 0 JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086057837 569717626 /nfs/dbraw/zinc/71/76/26/569717626.db2.gz HHRDBZGBJOFWSD-GOSISDBHSA-N -1 1 483.565 4.719 50 0 JJAAMM CC[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN(Cc2ccccc2F)C1=O ZINC000035887032 569720681 /nfs/dbraw/zinc/72/06/81/569720681.db2.gz SGXIGBSKCUNNAL-HSZRJFAPSA-N -1 1 486.540 4.774 50 0 JJAAMM CC[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2CN(Cc2ccccc2)C1=O ZINC000035886810 569720715 /nfs/dbraw/zinc/72/07/15/569720715.db2.gz BHISEYINQFILPP-QFIPXVFZSA-N -1 1 470.978 4.841 50 0 JJAAMM O=C1C[C@H](c2cccc(OC(F)F)c2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096116324 569735210 /nfs/dbraw/zinc/73/52/10/569735210.db2.gz AMPFIRCIUBCPFS-MRXNPFEDSA-N -1 1 466.392 4.914 50 0 biogenic JJAAMM O=C1C[C@H](c2cccc(OC(F)F)c2)c2c(cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc2-3)O1 ZINC000096116324 569735212 /nfs/dbraw/zinc/73/52/12/569735212.db2.gz AMPFIRCIUBCPFS-MRXNPFEDSA-N -1 1 466.392 4.914 50 0 biogenic JJAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)ccc1OC(F)F ZINC000096117435 569735723 /nfs/dbraw/zinc/73/57/23/569735723.db2.gz RHCJLXXLEAAYNB-DYVFJYSZSA-N -1 1 453.511 4.803 50 0 JJAAMM COc1ccc(-c2n[nH]cc2[C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000096118196 569735979 /nfs/dbraw/zinc/73/59/79/569735979.db2.gz SGZLHMXLQUYNTL-MGPUTAFESA-N -1 1 453.568 4.591 50 0 JJAAMM COC(=O)C[C@H]1c2c(nc3sccn32)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096222719 569739698 /nfs/dbraw/zinc/73/96/98/569739698.db2.gz DBTABEQCFLISOR-CYBMUJFWSA-N -1 1 460.467 4.676 50 0 biogenic JJAAMM CC(C)(C)c1[nH]n(-c2ccccc2)c(=O)c1[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000100942074 569777070 /nfs/dbraw/zinc/77/70/70/569777070.db2.gz HSTLTVPTRHBTCU-MJGOQNOKSA-N -1 1 471.351 4.788 50 0 JJAAMM CCc1ccc(-n2nc3c4cc(C(=O)N[C@@H](C)c5ccc(OC)c(OC)c5)ccc4[n-]cc-3c2=O)cc1 ZINC000101282398 569789006 /nfs/dbraw/zinc/78/90/06/569789006.db2.gz HFBAZFMBROAEMF-KRWDZBQOSA-N -1 1 496.567 4.889 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C(=O)C[C@H](c4ccc(OC(C)C)cc4)C3=O)cc2)cc1 ZINC000101329580 569793387 /nfs/dbraw/zinc/79/33/87/569793387.db2.gz HLYNXUYJQCFMLC-XMMPIXPASA-N -1 1 478.570 4.630 50 0 JJAAMM Cc1nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)c3cccs3)nn2c(=O)c1Cc1ccccc1 ZINC000101861077 569806422 /nfs/dbraw/zinc/80/64/22/569806422.db2.gz DOFCAHDEFSGUDB-UHFFFAOYSA-N -1 1 489.988 4.879 50 0 JJAAMM Cc1nc2[n-]c(N(Cc3cccs3)C(=O)c3ccc(Cl)cc3)nn2c(=O)c1Cc1ccccc1 ZINC000101861272 569806601 /nfs/dbraw/zinc/80/66/01/569806601.db2.gz VAOPUGIFQNSRFR-UHFFFAOYSA-N -1 1 489.988 4.879 50 0 JJAAMM O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421193 569846862 /nfs/dbraw/zinc/84/68/62/569846862.db2.gz UEIOIXIUVZRBHZ-LJQANCHMSA-N -1 1 493.032 4.880 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCc4ccc(F)cc4)C2)nc3=O)cc1 ZINC000049421284 569847098 /nfs/dbraw/zinc/84/70/98/569847098.db2.gz TYDZPBHGZUPRNV-IBGZPJMESA-N -1 1 476.577 4.632 50 0 JJAAMM COc1cccc(CNC(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccc(C)cc5)c4[n-]3)C2)c1 ZINC000049421279 569847139 /nfs/dbraw/zinc/84/71/39/569847139.db2.gz LJATURMLGXDDSP-HXUWFJFHSA-N -1 1 488.613 4.501 50 0 JJAAMM Cc1[nH]n(-c2ccccc2)c(=O)c1C(=C1C(C)=NN(c2ccccc2)C1=O)c1ccccc1C(=O)[O-] ZINC000106484513 569854200 /nfs/dbraw/zinc/85/42/00/569854200.db2.gz PWJHXCHKJWYPBJ-YSBOMUIGSA-N -1 1 478.508 4.600 50 0 JJAAMM CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000226890478 570039320 /nfs/dbraw/zinc/03/93/20/570039320.db2.gz ROGZTUDBUVLFII-ISJGIBHGSA-N -1 1 476.504 4.674 50 0 JJAAMM Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)cc2)no1 ZINC000001027638 194005175 /nfs/dbraw/zinc/00/51/75/194005175.db2.gz KWQMZHAIBCXEGR-UHFFFAOYSA-N -1 1 496.781 4.545 50 0 JJAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3c(Cl)cccc3Cl)nc2)cc1 ZINC000001035281 194006917 /nfs/dbraw/zinc/00/69/17/194006917.db2.gz IRZPBKQNDLLEMA-UHFFFAOYSA-N -1 1 452.319 4.940 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)ccc2C)c(C)c1 ZINC000001050633 194009951 /nfs/dbraw/zinc/00/99/51/194009951.db2.gz KEKGFFUDPFCVGI-UHFFFAOYSA-N -1 1 491.613 4.901 50 0 JJAAMM O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000001079165 194019728 /nfs/dbraw/zinc/01/97/28/194019728.db2.gz ZRQJVMRJBGWMRM-UHFFFAOYSA-N -1 1 465.314 4.745 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)c1 ZINC000001127238 194036942 /nfs/dbraw/zinc/03/69/42/194036942.db2.gz VJMAHDZVBZXUIG-UHFFFAOYSA-N -1 1 492.338 4.653 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000001144027 194046343 /nfs/dbraw/zinc/04/63/43/194046343.db2.gz BANHEKSVHFRUNB-UHFFFAOYSA-N -1 1 470.494 4.615 50 0 JJAAMM COc1cc(OC)nc(CSc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000001501448 194126071 /nfs/dbraw/zinc/12/60/71/194126071.db2.gz ZHIVIXIKACIOAN-UHFFFAOYSA-N -1 1 473.620 4.884 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1Cl ZINC000003016977 194207459 /nfs/dbraw/zinc/20/74/59/194207459.db2.gz PSIWHKQQQGQGBY-UHFFFAOYSA-N -1 1 480.995 4.567 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1C ZINC000003215727 194240549 /nfs/dbraw/zinc/24/05/49/194240549.db2.gz OEWDKKPWWRXTJR-UHFFFAOYSA-N -1 1 484.021 4.720 50 0 JJAAMM O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000003644838 194348258 /nfs/dbraw/zinc/34/82/58/194348258.db2.gz QNQRJZFJDYSTGQ-UHFFFAOYSA-N -1 1 491.956 4.893 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3nc4ccccc4s3)ccc2C)cc1 ZINC000009890127 195015294 /nfs/dbraw/zinc/01/52/94/195015294.db2.gz BUMIOLPHJUCSSW-UHFFFAOYSA-N -1 1 465.600 4.986 50 0 JJAAMM Cc1cccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1C ZINC000012630334 195062374 /nfs/dbraw/zinc/06/23/74/195062374.db2.gz PIMCNUXELVRFII-UHFFFAOYSA-N -1 1 452.532 4.518 50 0 JJAAMM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2c1 ZINC000020735159 195212494 /nfs/dbraw/zinc/21/24/94/195212494.db2.gz COQKLIUUFRBLDO-MHZLTWQESA-N -1 1 491.538 4.988 50 0 JJAAMM COc1cccc2c([C@H](C(=O)[O-])N3CCN(C4=Nc5ccccc5Oc5ccccc54)CC3)c[nH]c21 ZINC000020735589 195212391 /nfs/dbraw/zinc/21/23/91/195212391.db2.gz DXQUNKOCYDDFIW-AREMUKBSSA-N -1 1 482.540 4.804 50 0 JJAAMM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000020987070 195260844 /nfs/dbraw/zinc/26/08/44/195260844.db2.gz BTQZBJLRUDGOSV-UHFFFAOYSA-N -1 1 489.479 4.645 50 0 JJAAMM CCOc1ccc(-n2c3nc(SCC(=O)Nc4cccc(F)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000021151874 195283277 /nfs/dbraw/zinc/28/32/77/195283277.db2.gz BHULNQWRNPLSEO-UHFFFAOYSA-N -1 1 488.591 4.773 50 0 JJAAMM CC(C)[C@@H](NC(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1)c1ccc2c(c1)OCCCO2 ZINC000096325033 130071505 /nfs/dbraw/zinc/07/15/05/130071505.db2.gz UWSMTOAOODDPTC-XMMPIXPASA-N -1 1 465.575 4.616 50 0 JJAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000033254108 519442223 /nfs/dbraw/zinc/44/22/23/519442223.db2.gz BOOJVESZJOVGER-QFIPXVFZSA-N -1 1 499.677 4.696 50 0 JJAAMM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(NC(=O)c4ccccc4)c(C)c3)cc21 ZINC000035504539 519531765 /nfs/dbraw/zinc/53/17/65/519531765.db2.gz SWMYZEKGJDWXQK-UHFFFAOYSA-N -1 1 495.626 4.897 50 0 JJAAMM CC(=O)Nc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000012525796 519742326 /nfs/dbraw/zinc/74/23/26/519742326.db2.gz SXONBNBVWHNISX-UHFFFAOYSA-N -1 1 492.384 4.934 50 0 JJAAMM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000012485032 520352428 /nfs/dbraw/zinc/35/24/28/520352428.db2.gz YQTDOTUXMZKRSQ-UHFFFAOYSA-N -1 1 478.405 4.710 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000033116462 521211589 /nfs/dbraw/zinc/21/15/89/521211589.db2.gz WCWOQFQTBKUKRW-UHFFFAOYSA-N -1 1 453.545 4.748 50 0 JJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000008595446 521484528 /nfs/dbraw/zinc/48/45/28/521484528.db2.gz UGNPGLJGCKPZTB-HSZRJFAPSA-N -1 1 475.526 4.779 50 0 aggregator JJAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000008595446 521484537 /nfs/dbraw/zinc/48/45/37/521484537.db2.gz UGNPGLJGCKPZTB-HSZRJFAPSA-N -1 1 475.526 4.779 50 0 aggregator JJAAMM CCNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)ccc3n2C)cc1 ZINC000033276974 521747273 /nfs/dbraw/zinc/74/72/73/521747273.db2.gz JABQWMJLXLDKMP-UHFFFAOYSA-N -1 1 476.602 4.914 50 0 JJAAMM CC[C@@H](C)NC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc2)nc1 ZINC000033138382 522217275 /nfs/dbraw/zinc/21/72/75/522217275.db2.gz AACHCVXWEBVBHT-MRXNPFEDSA-N -1 1 471.604 4.571 50 0 JJAAMM CC[C@@H](C)NC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000033138348 522218954 /nfs/dbraw/zinc/21/89/54/522218954.db2.gz UOUQMZWTPUHQIU-OAHLLOKOSA-N -1 1 459.568 4.701 50 0 JJAAMM CN(Cc1c(F)cccc1Cl)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000022441190 523154357 /nfs/dbraw/zinc/15/43/57/523154357.db2.gz UUNTZXAZHUXDPZ-UHFFFAOYSA-N -1 1 468.884 4.830 50 0 JJAAMM COc1ccc(/C=C\C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])cc1OC ZINC000033712862 523430048 /nfs/dbraw/zinc/43/00/48/523430048.db2.gz YLZHDSFRRWTZNK-XFFZJAGNSA-N -1 1 488.949 4.516 50 0 JJAAMM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000033122313 523714029 /nfs/dbraw/zinc/71/40/29/523714029.db2.gz QONMISQBWFZFIZ-UHFFFAOYSA-N -1 1 459.984 4.601 50 0 JJAAMM COc1ccccc1N1CCN(c2nc(=O)c3scc(-c4ccccc4Cl)c3[n-]2)CC1 ZINC000049421042 524563364 /nfs/dbraw/zinc/56/33/64/524563364.db2.gz RKQXVNKRXXRXFK-UHFFFAOYSA-N -1 1 452.967 4.640 50 0 JJAAMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c(OC)c1 ZINC000016635643 524637473 /nfs/dbraw/zinc/63/74/73/524637473.db2.gz XEBQNYIQJSTFAQ-UHFFFAOYSA-N -1 1 480.464 4.776 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)c1 ZINC000016349761 524693251 /nfs/dbraw/zinc/69/32/51/524693251.db2.gz PKVCBDSCDAPOIP-UHFFFAOYSA-N -1 1 492.338 4.653 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000027496336 524699274 /nfs/dbraw/zinc/69/92/74/524699274.db2.gz HXMABKPDWUILEE-UHFFFAOYSA-N -1 1 465.358 4.984 50 0 JJAAMM C[C@@H](NC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1)c1ccccc1 ZINC000049421080 525070498 /nfs/dbraw/zinc/07/04/98/525070498.db2.gz ZIHJHPPRRUKJLV-MRXNPFEDSA-N -1 1 476.577 4.885 50 0 JJAAMM Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000013165002 525238972 /nfs/dbraw/zinc/23/89/72/525238972.db2.gz JNQOQRUOHTWUNC-UHFFFAOYSA-N -1 1 483.977 4.828 50 0 JJAAMM Cc1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000022627045 525250524 /nfs/dbraw/zinc/25/05/24/525250524.db2.gz RCLRYYXOFZVGII-UHFFFAOYSA-N -1 1 498.367 4.714 50 0 JJAAMM C[C@@H](NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)c1ccc(F)cc1 ZINC000049421185 525292421 /nfs/dbraw/zinc/29/24/21/525292421.db2.gz JGCZVMXGTTUOOV-APWZRJJASA-N -1 1 476.577 4.885 50 0 JJAAMM C[C@@H](NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)c1ccccc1 ZINC000049421181 525293104 /nfs/dbraw/zinc/29/31/04/525293104.db2.gz WEMJKTWQANYJAO-XLIONFOSSA-N -1 1 458.587 4.745 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)c2)cc1 ZINC000006140337 525305684 /nfs/dbraw/zinc/30/56/84/525305684.db2.gz ZWZMWDYIVDJLHN-CTUHWIOQSA-N -1 1 487.618 4.957 50 0 JJAAMM C[C@@H]1Cn2c(nnc2-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)c2)S1 ZINC000012418158 525540639 /nfs/dbraw/zinc/54/06/39/525540639.db2.gz PPBUHIOOWIVLCI-OAHLLOKOSA-N -1 1 460.584 4.811 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(Cl)cc2)n(C)c(=O)n3C)cc1 ZINC000045941081 525594938 /nfs/dbraw/zinc/59/49/38/525594938.db2.gz BVEUTTRRWRDILF-UHFFFAOYSA-N -1 1 474.007 4.791 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(CC[NH+]3CCCCC3)CC2)c(C)c1 ZINC000033254083 525595244 /nfs/dbraw/zinc/59/52/44/525595244.db2.gz CCOBTWAVWYTDDY-UHFFFAOYSA-N -1 1 499.677 4.895 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)cc1Cl ZINC000033274611 525603544 /nfs/dbraw/zinc/60/35/44/525603544.db2.gz NPQOXHRHRIHTNT-UHFFFAOYSA-N -1 1 469.006 4.840 50 0 JJAAMM 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CCN1c2cc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2OCC(C)(C)C1=O ZINC000009170874 554953588 /nfs/dbraw/zinc/95/35/88/554953588.db2.gz QFAGHJHUTFGASE-UHFFFAOYSA-N -1 1 450.560 4.926 50 0 JJAAMM CC(=O)c1cccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1 ZINC000009223780 554994322 /nfs/dbraw/zinc/99/43/22/554994322.db2.gz IYQXHOJVWYHXIX-UHFFFAOYSA-N -1 1 492.475 4.726 50 0 JJAAMM CC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccco3)nc2[O-])cc1 ZINC000009318013 555093101 /nfs/dbraw/zinc/09/31/01/555093101.db2.gz XITYIUJDLVCGEG-WIYYLYMNSA-N -1 1 492.582 4.722 50 0 JJAAMM O=C(NOCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000009378594 555140319 /nfs/dbraw/zinc/14/03/19/555140319.db2.gz ANROCCMBLIGAIP-UHFFFAOYSA-N -1 1 451.331 4.656 50 0 JJAAMM COc1ccc(CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C2CC2)cc1 ZINC000009465763 555240591 /nfs/dbraw/zinc/24/05/91/555240591.db2.gz FPUHQSSFLKAWJE-UHFFFAOYSA-N -1 1 472.513 4.579 50 0 JJAAMM 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O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccccc1SC(F)F ZINC000014078001 555681226 /nfs/dbraw/zinc/68/12/26/555681226.db2.gz KACCFJOEJHWQHI-UHFFFAOYSA-N -1 1 492.525 4.598 50 0 JJAAMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c(C)c1C ZINC000020293924 555762704 /nfs/dbraw/zinc/76/27/04/555762704.db2.gz WUKDXMSCYPUHTO-HOTGVXAUSA-N -1 1 478.680 4.696 50 0 JJAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000011358335 555774898 /nfs/dbraw/zinc/77/48/98/555774898.db2.gz UKEPOQVNHPAELQ-UHFFFAOYSA-N -1 1 451.577 4.995 50 0 JJAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000020554791 555807531 /nfs/dbraw/zinc/80/75/31/555807531.db2.gz HCFSOWSLTLUOBW-UHFFFAOYSA-N -1 1 478.496 4.833 50 0 JJAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)CSCc2ccccc2)[n-]c(=O)c1C ZINC000011854963 555836723 /nfs/dbraw/zinc/83/67/23/555836723.db2.gz CEHIJKYMFPYYSC-UHFFFAOYSA-N -1 1 451.577 4.585 50 0 JJAAMM O=C(Cc1ccc(F)cc1)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000011855315 555836956 /nfs/dbraw/zinc/83/69/56/555836956.db2.gz HLVJDTXKHUZIMR-UHFFFAOYSA-N -1 1 471.517 4.671 50 0 JJAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2F)[n-]c(=O)c1Cc1ccccc1 ZINC000011855425 555836981 /nfs/dbraw/zinc/83/69/81/555836981.db2.gz VTNSIBKTZYUDLY-UHFFFAOYSA-N -1 1 485.544 4.975 50 0 JJAAMM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2snnc2C)cc1Br ZINC000011913762 555863623 /nfs/dbraw/zinc/86/36/23/555863623.db2.gz PMFJESAUCUTPAC-UHFFFAOYSA-N -1 1 472.320 4.847 50 0 JJAAMM CCc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000012006897 555883877 /nfs/dbraw/zinc/88/38/77/555883877.db2.gz NYTNPXLUEWMJCD-UHFFFAOYSA-N -1 1 465.513 4.549 50 0 JJAAMM Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)[n-]c(=O)c1C ZINC000012008377 555884061 /nfs/dbraw/zinc/88/40/61/555884061.db2.gz UIWJPNWRMQMFEB-UHFFFAOYSA-N -1 1 477.952 4.936 50 0 JJAAMM COc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000012009185 555884138 /nfs/dbraw/zinc/88/41/38/555884138.db2.gz KVAGOUUEOFHZGD-UHFFFAOYSA-N -1 1 487.903 4.797 50 0 JJAAMM O=C(Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1)c1cc(-c2ccccc2)on1 ZINC000012009481 555884155 /nfs/dbraw/zinc/88/41/55/555884155.db2.gz PGTMGBBNUKNLOT-UHFFFAOYSA-N -1 1 490.479 4.790 50 0 JJAAMM COc1ccc(NC(=O)CSc2[n-]c(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012112524 555909232 /nfs/dbraw/zinc/90/92/32/555909232.db2.gz GENSUBHVSAWGGE-UHFFFAOYSA-N -1 1 493.610 4.957 50 0 JJAAMM Cc1ccc(CNC(=O)CSc2[n-]c(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012112520 555909378 /nfs/dbraw/zinc/90/93/78/555909378.db2.gz BJEYDCLDXBMUTD-UHFFFAOYSA-N -1 1 491.638 4.935 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1C ZINC000012180548 555935083 /nfs/dbraw/zinc/93/50/83/555935083.db2.gz CUAXBXNUJYTYLI-UHFFFAOYSA-N -1 1 450.560 4.788 50 0 JJAAMM CC[C@@H]1Sc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2NC1=O ZINC000015678560 555944279 /nfs/dbraw/zinc/94/42/79/555944279.db2.gz GDMWQOAEBZNRMD-AWEZNQCLSA-N -1 1 450.891 4.982 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3csc(-c4ccsc4)n3)c2)cc1 ZINC000012541878 556016807 /nfs/dbraw/zinc/01/68/07/556016807.db2.gz OXGYFGQRBCNFLJ-UHFFFAOYSA-N -1 1 471.585 4.933 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(-c4cc[nH]n4)c3)cc2)cc1 ZINC000012544367 556020392 /nfs/dbraw/zinc/02/03/92/556020392.db2.gz ZTECBGFDHBWNJR-UHFFFAOYSA-N -1 1 462.531 4.529 50 0 JJAAMM O=S(=O)([N-]c1ccccc1N1CCOCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012546667 556022921 /nfs/dbraw/zinc/02/29/21/556022921.db2.gz MYCCSFQPQPVFAC-UHFFFAOYSA-N -1 1 452.620 4.792 50 0 JJAAMM COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000023145266 556023217 /nfs/dbraw/zinc/02/32/17/556023217.db2.gz FJRNAWBXACWYPJ-UHFFFAOYSA-N -1 1 486.977 4.842 50 0 JJAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000012548656 556027330 /nfs/dbraw/zinc/02/73/30/556027330.db2.gz YNLGYNAENFBZFM-UHFFFAOYSA-N -1 1 476.476 4.639 50 0 JJAAMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1 ZINC000012557081 556044172 /nfs/dbraw/zinc/04/41/72/556044172.db2.gz KXXVQFQGQYPKAI-UHFFFAOYSA-N -1 1 475.364 4.819 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1OC ZINC000015870240 556050034 /nfs/dbraw/zinc/05/00/34/556050034.db2.gz FJMDBZSKRAVPFO-UHFFFAOYSA-N -1 1 475.592 4.633 50 0 JJAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1ccc(Cl)nc1 ZINC000015891939 556061084 /nfs/dbraw/zinc/06/10/84/556061084.db2.gz RJLDKBCZRHEIJS-UHFFFAOYSA-N -1 1 466.744 4.551 50 0 JJAAMM COc1ccc(-c2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)nn1 ZINC000016960160 556190504 /nfs/dbraw/zinc/19/05/04/556190504.db2.gz KPJUQJKTBOJNNX-UHFFFAOYSA-N -1 1 477.386 4.991 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2C)cc1 ZINC000025330336 556209476 /nfs/dbraw/zinc/20/94/76/556209476.db2.gz XCLCACVLKIFFHN-RMKNXTFCSA-N -1 1 489.641 4.575 50 0 JJAAMM O=C(COc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000013026719 556219323 /nfs/dbraw/zinc/21/93/23/556219323.db2.gz RYSFWHBKXJKLPE-UHFFFAOYSA-N -1 1 456.951 4.647 50 0 JJAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1)NC1CCCCC1 ZINC000017169466 556230753 /nfs/dbraw/zinc/23/07/53/556230753.db2.gz CBMXCYZZYQZRQY-UHFFFAOYSA-N -1 1 467.041 4.699 50 0 JJAAMM Cc1ccc(C(=O)NCC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)s1 ZINC000013038446 556236296 /nfs/dbraw/zinc/23/62/96/556236296.db2.gz JFTIBWFVEQKHMS-UHFFFAOYSA-N -1 1 498.413 4.533 50 0 JJAAMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)C1CCCCC1 ZINC000026954687 556266535 /nfs/dbraw/zinc/26/65/35/556266535.db2.gz WVZXCOUAZKUBJH-UHFFFAOYSA-N -1 1 451.386 4.655 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3ccccc3F)ccc2N2CCCC2)cc1 ZINC000013112170 556311968 /nfs/dbraw/zinc/31/19/68/556311968.db2.gz UXFFAUVRGVQPQS-UHFFFAOYSA-N -1 1 497.592 4.807 50 0 JJAAMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3N3CCCCCC3)cc2o1 ZINC000032869176 556517314 /nfs/dbraw/zinc/51/73/14/556517314.db2.gz SCMRIEWYHXHNEF-UHFFFAOYSA-N -1 1 455.458 4.733 50 0 JJAAMM Nc1nn(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c(Cl)cc2Cl)c2ccccc12 ZINC000032912310 556537136 /nfs/dbraw/zinc/53/71/36/556537136.db2.gz PKOGLWUKSKJTHK-UHFFFAOYSA-N -1 1 479.320 4.554 50 0 JJAAMM C[C@@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2S1 ZINC000032943987 556556440 /nfs/dbraw/zinc/55/64/40/556556440.db2.gz YCUBRHPTCFQNET-GFCCVEGCSA-N -1 1 456.511 4.743 50 0 JJAAMM COc1cccc(-n2c3nc(SCC(=O)Nc4ccc(Cl)cc4)[n-]c(=O)c3sc2=S)c1 ZINC000032948301 556563454 /nfs/dbraw/zinc/56/34/54/556563454.db2.gz OTUIKOOXGBYKKA-UHFFFAOYSA-N -1 1 491.019 4.898 50 0 JJAAMM Cc1ccc(-n2c3nc(SCC(=O)NCc4ccccc4Cl)[n-]c(=O)c3sc2=S)cc1 ZINC000032948592 556564258 /nfs/dbraw/zinc/56/42/58/556564258.db2.gz IMANZGIWWMXAAU-UHFFFAOYSA-N -1 1 489.047 4.875 50 0 JJAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000033007862 569615775 /nfs/dbraw/zinc/61/57/75/569615775.db2.gz YCVROKWKHYTLQG-UHFFFAOYSA-N -1 1 465.556 4.860 50 0 JJAAMM O=C(NCCCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000033274798 569622047 /nfs/dbraw/zinc/62/20/47/569622047.db2.gz HYWURDAXCFXCNE-UHFFFAOYSA-N -1 1 469.006 4.921 50 0 JJAAMM O=C(NCc1ccc(Cl)cc1)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000064611607 569622890 /nfs/dbraw/zinc/62/28/90/569622890.db2.gz IQLPMPGCEFVPAL-UHFFFAOYSA-N -1 1 496.995 4.977 50 0 JJAAMM C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000064611623 569622893 /nfs/dbraw/zinc/62/28/93/569622893.db2.gz FRJHBITVPOSXPO-POAQFYNOSA-N -1 1 450.608 4.563 50 0 JJAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)ccc1Br ZINC000064862237 569639618 /nfs/dbraw/zinc/63/96/18/569639618.db2.gz NCDPZPKQTVSXFI-UHFFFAOYSA-N -1 1 492.439 4.963 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3C)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065036007 569652874 /nfs/dbraw/zinc/65/28/74/569652874.db2.gz YGFYYWAUWJATEI-UHFFFAOYSA-N -1 1 490.626 4.640 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3C)c(C)n2C)sc1C(=O)N1CCCCCC1 ZINC000065036293 569653275 /nfs/dbraw/zinc/65/32/75/569653275.db2.gz CSTXUNNZTWJTSW-UHFFFAOYSA-N -1 1 486.663 4.891 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(C)n2C)sc1C(=O)N1CCCC1 ZINC000065036432 569653519 /nfs/dbraw/zinc/65/35/19/569653519.db2.gz MLSHVJVEPOHNKW-UHFFFAOYSA-N -1 1 493.054 4.764 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NCCC(C)C)c2)cc1 ZINC000065059773 569654983 /nfs/dbraw/zinc/65/49/83/569654983.db2.gz AWXGTTXFTXEIBD-UHFFFAOYSA-N -1 1 453.564 4.759 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1N1CCCN(Cc2cccc(C)c2)C1=O ZINC000034739867 569655131 /nfs/dbraw/zinc/65/51/31/569655131.db2.gz YVJYESQAGVELNK-UHFFFAOYSA-N -1 1 465.575 4.637 50 0 JJAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Oc2nc3ccccc3n3cnnc23)cc1 ZINC000065096416 569660899 /nfs/dbraw/zinc/66/08/99/569660899.db2.gz VADANSNSZAOJPS-UHFFFAOYSA-N -1 1 465.922 4.832 50 0 JJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c1 ZINC000065116367 569666456 /nfs/dbraw/zinc/66/64/56/569666456.db2.gz HCPJXDUTSOVREC-UHFFFAOYSA-N -1 1 463.943 4.634 50 0 JJAAMM Cc1sc(-c2nnc(C(=O)N3CCCCC3)o2)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000065116734 569666745 /nfs/dbraw/zinc/66/67/45/569666745.db2.gz OFDWIGZJDQNHTA-UHFFFAOYSA-N -1 1 474.608 4.657 50 0 JJAAMM O=C(NC1CCCCCC1)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000065314519 569672464 /nfs/dbraw/zinc/67/24/64/569672464.db2.gz IUGVOYZVXWALBQ-UHFFFAOYSA-N -1 1 468.598 4.846 50 0 JJAAMM Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000065318958 569673445 /nfs/dbraw/zinc/67/34/45/569673445.db2.gz COSOYXWTCQOJPK-UHFFFAOYSA-N -1 1 468.579 4.595 50 0 JJAAMM Cc1ccc(-c2noc(C(=O)N3CCCCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000065319073 569673652 /nfs/dbraw/zinc/67/36/52/569673652.db2.gz GYKQOQJIXBTXOR-UHFFFAOYSA-N -1 1 488.997 4.824 50 0 JJAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4cccc(Br)c4)no3)n2)c1 ZINC000065330960 569675028 /nfs/dbraw/zinc/67/50/28/569675028.db2.gz CORSNBRAJWGAOU-UHFFFAOYSA-N -1 1 471.336 4.963 50 0 JJAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1 ZINC000065330971 569675095 /nfs/dbraw/zinc/67/50/95/569675095.db2.gz UFJBFTRULNWTLY-UHFFFAOYSA-N -1 1 460.437 4.807 50 0 JJAAMM Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000067190010 569677252 /nfs/dbraw/zinc/67/72/52/569677252.db2.gz DWLNLYJBVMZJCJ-UHFFFAOYSA-N -1 1 489.553 4.571 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCCc4ccccc4)C2)nc3=O)cc1 ZINC000067245908 569681980 /nfs/dbraw/zinc/68/19/80/569681980.db2.gz VRDDBHLREHKOLS-OAQYLSRUSA-N -1 1 472.614 4.535 50 0 JJAAMM CC(C)c1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)c1 ZINC000067291622 569685814 /nfs/dbraw/zinc/68/58/14/569685814.db2.gz DLTVMBRMMYBQNI-UHFFFAOYSA-N -1 1 466.582 4.734 50 0 JJAAMM O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)OC(=C([O-])c2cccs2)c2cccs2)C1 ZINC000069375486 569692842 /nfs/dbraw/zinc/69/28/42/569692842.db2.gz SUTSSHQGTQNDJR-HOYKHHGWSA-N -1 1 483.611 4.985 50 0 JJAAMM Cc1ccc([C@@H]2CC(c3cccc([N-]S(=O)(=O)c4ccccc4)c3)=NN2C(=O)C(C)C)o1 ZINC000079046994 569706776 /nfs/dbraw/zinc/70/67/76/569706776.db2.gz QYTCAPCLPSXIEK-QFIPXVFZSA-N -1 1 451.548 4.723 50 0 JJAAMM CCOc1ccc([C@@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(=O)CC)cc1 ZINC000035684044 569706796 /nfs/dbraw/zinc/70/67/96/569706796.db2.gz CGNAVWKYWAULEI-VWLOTQADSA-N -1 1 477.586 4.974 50 0 JJAAMM CCOc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1C(C)=O ZINC000035684018 569706807 /nfs/dbraw/zinc/70/68/07/569706807.db2.gz HANXAVJMHLRXLG-DEOSSOPVSA-N -1 1 463.559 4.584 50 0 JJAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1c(F)cccc1Cl ZINC000035684015 569706815 /nfs/dbraw/zinc/70/68/15/569706815.db2.gz ZUWHGPHGUHUDBG-JOCHJYFZSA-N -1 1 471.941 4.978 50 0 JJAAMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000085423403 569710892 /nfs/dbraw/zinc/71/08/92/569710892.db2.gz HSNFNVIVGYSDAL-UHFFFAOYSA-N -1 1 450.438 4.767 50 0 JJAAMM CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000086057455 569717277 /nfs/dbraw/zinc/71/72/77/569717277.db2.gz PBKAJSMIWABNMN-KRWDZBQOSA-N -1 1 455.967 4.979 50 0 JJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1 ZINC000086057524 569717297 /nfs/dbraw/zinc/71/72/97/569717297.db2.gz WTVYTLYOPBMTDT-GOSISDBHSA-N -1 1 455.967 4.979 50 0 JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057512 569717353 /nfs/dbraw/zinc/71/73/53/569717353.db2.gz QEWWSAVNZHIUBK-QGZVFWFLSA-N -1 1 485.993 4.986 50 0 JJAAMM CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)ccc1OC ZINC000086057579 569717522 /nfs/dbraw/zinc/71/75/22/569717522.db2.gz OYPHSMCMXSXIKF-INIZCTEOSA-N -1 1 471.966 4.597 50 0 JJAAMM CC[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN(C2CCCCC2)C1=O ZINC000035886943 569720662 /nfs/dbraw/zinc/72/06/62/569720662.db2.gz QXBHEQKRFIDUEO-QFIPXVFZSA-N -1 1 460.571 4.767 50 0 JJAAMM CC[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN(Cc2ccc(OC)cc2)C1=O ZINC000035887112 569720678 /nfs/dbraw/zinc/72/06/78/569720678.db2.gz UIAZDKIGKYMOKY-XMMPIXPASA-N -1 1 498.576 4.643 50 0 JJAAMM CC[C@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2OCC1=O ZINC000035910066 569725414 /nfs/dbraw/zinc/72/54/14/569725414.db2.gz GADQTFBDSFADGT-HSZRJFAPSA-N -1 1 468.550 4.807 50 0 JJAAMM O=C1C[C@@H](C2=Cc3ccccc3OC2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115869 569734886 /nfs/dbraw/zinc/73/48/86/569734886.db2.gz XZNXZUYXAILVAB-SFHVURJKSA-N -1 1 454.434 4.740 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000096115869 569734887 /nfs/dbraw/zinc/73/48/87/569734887.db2.gz XZNXZUYXAILVAB-SFHVURJKSA-N -1 1 454.434 4.740 50 0 biogenic JJAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000100821717 569771367 /nfs/dbraw/zinc/77/13/67/569771367.db2.gz WKGNZZJCQIXKFV-SFHVURJKSA-N -1 1 453.951 4.720 50 0 JJAAMM COc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000100889123 569774406 /nfs/dbraw/zinc/77/44/06/569774406.db2.gz CITQZOIPEFZMOC-DQEYMECFSA-N -1 1 466.541 4.857 50 0 JJAAMM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 ZINC000101179439 569786219 /nfs/dbraw/zinc/78/62/19/569786219.db2.gz AIBHKCYLLCQTEJ-ZLNRFVROSA-N -1 1 493.357 4.817 50 0 JJAAMM CCc1ccc(-n2nc3c4cc(C(=O)N[C@H](C)c5ccc(OC)c(OC)c5)ccc4[n-]cc-3c2=O)cc1 ZINC000101282402 569789100 /nfs/dbraw/zinc/78/91/00/569789100.db2.gz HFBAZFMBROAEMF-QGZVFWFLSA-N -1 1 496.567 4.889 50 0 JJAAMM Cc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c1[O-] ZINC000101766784 569804659 /nfs/dbraw/zinc/80/46/59/569804659.db2.gz DNCXBTSBGAYMFU-HSZRJFAPSA-N -1 1 499.548 4.626 50 0 JJAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@H](c2ccc(O)cc2)C1 ZINC000101766872 569805082 /nfs/dbraw/zinc/80/50/82/569805082.db2.gz UMSIGVHAPCUAOE-NRFANRHFSA-N -1 1 491.956 4.948 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)C3CCCCC3)nn2c1=O ZINC000101861359 569806614 /nfs/dbraw/zinc/80/66/14/569806614.db2.gz QYYRKRYKPLOUKK-UHFFFAOYSA-N -1 1 455.990 4.836 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3ccccc3F)nn2c1=O ZINC000101878508 569806785 /nfs/dbraw/zinc/80/67/85/569806785.db2.gz YGISAOGQKSSWIW-UHFFFAOYSA-N -1 1 467.932 4.708 50 0 JJAAMM COc1ccc(NC(=O)CSc2nc(=O)c(Cc3ccccc3)c([O-])n2-c2ccccc2C)cc1 ZINC000102534885 569814099 /nfs/dbraw/zinc/81/40/99/569814099.db2.gz BNCCTOQXZVGKGH-UHFFFAOYSA-N -1 1 487.581 4.577 50 0 JJAAMM Cc1nc(C2(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(Cl)c(Cl)c4)c3)CCCC2)no1 ZINC000040146942 569818400 /nfs/dbraw/zinc/81/84/00/569818400.db2.gz GXTZPJNTQSLRPZ-UHFFFAOYSA-N -1 1 495.388 4.685 50 0 JJAAMM Cc1nc(CSCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2)cs1 ZINC000040152754 569820315 /nfs/dbraw/zinc/82/03/15/569820315.db2.gz GSGDIDVTIYEADW-UHFFFAOYSA-N -1 1 465.597 4.653 50 0 JJAAMM C[C@H](CNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)c1ccccc1 ZINC000049421191 569846909 /nfs/dbraw/zinc/84/69/09/569846909.db2.gz ITTVGGUGVHSEDY-NQIIRXRSSA-N -1 1 472.614 4.788 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCc4ccccc4F)C2)nc3=O)cc1 ZINC000049421282 569847005 /nfs/dbraw/zinc/84/70/05/569847005.db2.gz YYOSVYHMUYJCQJ-IBGZPJMESA-N -1 1 476.577 4.632 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCc4cc(F)cc(F)c4)C2)nc3=O)cc1 ZINC000049421289 569847125 /nfs/dbraw/zinc/84/71/25/569847125.db2.gz QEWCFDKKNROEBG-GOSISDBHSA-N -1 1 494.567 4.771 50 0 JJAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NC4CCC(C)CC4)C2)nc3=O)c1 ZINC000049421339 569847319 /nfs/dbraw/zinc/84/73/19/569847319.db2.gz NVHYPQRKBHHGBF-AVAKVYKDSA-N -1 1 480.634 4.572 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N[C@H]4CCc5ccccc54)CC2)nc3=O)c1 ZINC000049421401 569847439 /nfs/dbraw/zinc/84/74/39/569847439.db2.gz RXEJKCAOZXPNOR-QHCPKHFHSA-N -1 1 484.625 4.980 50 0 JJAAMM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000138610319 569866038 /nfs/dbraw/zinc/86/60/38/569866038.db2.gz VGXXSSLSPZIDOU-YTFSRNRJSA-N -1 1 455.901 4.939 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169703983 569871516 /nfs/dbraw/zinc/87/15/16/569871516.db2.gz IOACSLMWJMVTPK-UEXGIBASSA-N -1 1 464.827 4.704 50 0 JJAAMM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)c1 ZINC000229981354 570043055 /nfs/dbraw/zinc/04/30/55/570043055.db2.gz NXNRZMZYTUWXGY-JIMJEQGWSA-N -1 1 450.494 4.900 50 0 JJAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(F)cc1Cl ZINC000252493434 570081961 /nfs/dbraw/zinc/08/19/61/570081961.db2.gz NBVQMJXNXNHFPM-QHCPKHFHSA-N -1 1 471.941 4.978 50 0 JJAAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)ccc1O ZINC000253397695 570096143 /nfs/dbraw/zinc/09/61/43/570096143.db2.gz BOWHZSBVAAWGTA-OAHLLOKOSA-N -1 1 464.857 4.974 50 0 JJAAMM CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000001111732 194028080 /nfs/dbraw/zinc/02/80/80/194028080.db2.gz CEFWADIFSTWTAR-HXUWFJFHSA-N -1 1 475.364 4.576 50 0 JJAAMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)c(C)c1 ZINC000001139845 194044099 /nfs/dbraw/zinc/04/40/99/194044099.db2.gz PKNMSYVVVMKUKG-UHFFFAOYSA-N -1 1 495.420 4.668 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000001149840 194049994 /nfs/dbraw/zinc/04/99/94/194049994.db2.gz DVEZBUPNXSRFLE-UHFFFAOYSA-N -1 1 487.386 4.604 50 0 JJAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 ZINC000001151426 194050970 /nfs/dbraw/zinc/05/09/70/194050970.db2.gz JFYDYIQPBLHCSD-UHFFFAOYSA-N -1 1 490.912 4.960 50 0 JJAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C[C@@H](C(C)(C)C)CC5)cc2oc1=O ZINC000001320761 194084353 /nfs/dbraw/zinc/08/43/53/194084353.db2.gz BVSVRPGATWBXBQ-AWEZNQCLSA-N -1 1 454.548 4.830 50 0 JJAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000001445907 194122633 /nfs/dbraw/zinc/12/26/33/194122633.db2.gz QRMVRFDSOWCWDM-UHFFFAOYSA-N -1 1 490.507 4.724 50 0 JJAAMM CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000003105555 194226494 /nfs/dbraw/zinc/22/64/94/194226494.db2.gz LMJYOSFDDZDTGA-UHFFFAOYSA-N -1 1 452.532 4.533 50 0 JJAAMM O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000003446368 194327252 /nfs/dbraw/zinc/32/72/52/194327252.db2.gz XRKYDMHUKTYRLR-UHFFFAOYSA-N -1 1 452.429 4.575 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163829 194382034 /nfs/dbraw/zinc/38/20/34/194382034.db2.gz AMGPDIQQDTWGEK-WAOWUJCRSA-N -1 1 464.827 4.704 50 0 JJAAMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2OCC(C)(C)C1=O ZINC000009166570 194577487 /nfs/dbraw/zinc/57/74/87/194577487.db2.gz IGZOSSQYLAKCME-UHFFFAOYSA-N -1 1 450.560 4.926 50 0 JJAAMM O=C1[N-]C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)N1 ZINC000009892589 195016436 /nfs/dbraw/zinc/01/64/36/195016436.db2.gz JLRQMKVLPGHLGK-AUWJEWJLSA-N -1 1 486.547 4.624 50 0 JJAAMM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000009912443 195022023 /nfs/dbraw/zinc/02/20/23/195022023.db2.gz YQEFPGAGSHCDJK-UHFFFAOYSA-N -1 1 494.525 4.510 50 0 JJAAMM C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009960477 195039113 /nfs/dbraw/zinc/03/91/13/195039113.db2.gz UTQJQDCQXOLQRP-PWECECGKSA-N -1 1 489.578 4.885 50 0 JJAAMM CC(=O)N[C@@H](CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1)c1ccc(C)cc1 ZINC000012631211 195063446 /nfs/dbraw/zinc/06/34/46/195063446.db2.gz CJFCTDYJTSFAIE-VWLOTQADSA-N -1 1 479.602 4.619 50 0 JJAAMM C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc([O-])cc4O)n(-c4ccccc4)c(=O)c32)C1 ZINC000012695095 195089817 /nfs/dbraw/zinc/08/98/17/195089817.db2.gz MCDWRVGBJPXHSI-AWEZNQCLSA-N -1 1 478.595 4.958 50 0 JJAAMM CCCCCCN(C(=O)COC(=O)c1c(C)nc(C2CC2)[n-]c1=O)c1nc(-c2ccccc2)cs1 ZINC000012762368 195111640 /nfs/dbraw/zinc/11/16/40/195111640.db2.gz QHOSTWITEQDSAK-UHFFFAOYSA-N -1 1 494.617 4.850 50 0 JJAAMM CC(=O)Nc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000012897343 195175829 /nfs/dbraw/zinc/17/58/29/195175829.db2.gz USNCOZVWEVEHCY-UHFFFAOYSA-N -1 1 471.966 4.589 50 0 JJAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])c1 ZINC000020903847 195243857 /nfs/dbraw/zinc/24/38/57/195243857.db2.gz BHXXBRWBARGHGF-RBBKRZOGSA-N -1 1 490.610 4.935 50 0 JJAAMM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(Br)c1 ZINC000002857829 518189335 /nfs/dbraw/zinc/18/93/35/518189335.db2.gz NQRBDZDZWFYHAR-UHFFFAOYSA-N -1 1 475.364 4.576 50 0 JJAAMM CC(C)(C)c1[nH]n(-c2ccccc2)c(=O)c1[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000033678648 518601358 /nfs/dbraw/zinc/60/13/58/518601358.db2.gz HSTLTVPTRHBTCU-IEBWSBKVSA-N -1 1 471.351 4.788 50 0 JJAAMM CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3C)cc2)cc1 ZINC000033130332 519895261 /nfs/dbraw/zinc/89/52/61/519895261.db2.gz DKCWWIUBEFCNCD-UHFFFAOYSA-N -1 1 452.576 4.619 50 0 JJAAMM CCCCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000033138411 520222377 /nfs/dbraw/zinc/22/23/77/520222377.db2.gz HFJIOFNTGXDOGU-UHFFFAOYSA-N -1 1 455.605 4.954 50 0 JJAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2s1 ZINC000033299027 520545866 /nfs/dbraw/zinc/54/58/66/520545866.db2.gz IOHMISOUYTVOLH-UHFFFAOYSA-N -1 1 452.623 4.578 50 0 JJAAMM CCCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000033122339 521338615 /nfs/dbraw/zinc/33/86/15/521338615.db2.gz LVRXQURIFMJECW-UHFFFAOYSA-N -1 1 474.011 4.991 50 0 JJAAMM CCCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000033275365 521629415 /nfs/dbraw/zinc/62/94/15/521629415.db2.gz FMHHTHORFKRNKP-UHFFFAOYSA-N -1 1 477.586 4.804 50 0 JJAAMM CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4c(C)c(C)cc(C)c4C)ccc3n2C)cc1 ZINC000033276976 521795847 /nfs/dbraw/zinc/79/58/47/521795847.db2.gz QVROZEKGMQLEOF-UHFFFAOYSA-N -1 1 476.602 4.634 50 0 JJAAMM CC[C@@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cn2)cc1 ZINC000033139471 522218174 /nfs/dbraw/zinc/21/81/74/522218174.db2.gz KXJGNHUPMWHAKM-GOSISDBHSA-N -1 1 453.564 4.820 50 0 JJAAMM COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000033292714 523215660 /nfs/dbraw/zinc/21/56/60/523215660.db2.gz STPDDRMDNQMRKU-UHFFFAOYSA-N -1 1 480.517 4.702 50 0 JJAAMM COc1ccc(-c2nc(NC(=O)CSc3nc(-c4ccccc4)cc(=O)[n-]3)sc2C)cc1 ZINC000006016833 523221994 /nfs/dbraw/zinc/22/19/94/523221994.db2.gz VUZMGZMSZOQNRI-UHFFFAOYSA-N -1 1 464.572 4.608 50 0 JJAAMM CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000016778072 523628668 /nfs/dbraw/zinc/62/86/68/523628668.db2.gz LPMYBOUDWYPIBC-OAQYLSRUSA-N -1 1 456.589 4.707 50 0 JJAAMM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2C)cc1 ZINC000033122317 523713115 /nfs/dbraw/zinc/71/31/15/523713115.db2.gz WSSMQOYOQZOQBI-UHFFFAOYSA-N -1 1 467.620 4.872 50 0 JJAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1 ZINC000033173607 523853909 /nfs/dbraw/zinc/85/39/09/523853909.db2.gz USSSUKCYYIDHEC-UHFFFAOYSA-N -1 1 486.468 4.749 50 0 JJAAMM Cc1ccc(CNC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012252673 524509824 /nfs/dbraw/zinc/50/98/24/524509824.db2.gz FRWREXAIFDCIBP-UHFFFAOYSA-N -1 1 491.638 4.935 50 0 JJAAMM COc1ccccc1NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000012252649 524596511 /nfs/dbraw/zinc/59/65/11/524596511.db2.gz BXJDCDMIGVLPRH-UHFFFAOYSA-N -1 1 493.610 4.957 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)N3CCC[C@@H]3c3cccs3)c2)c1 ZINC000021844513 524693424 /nfs/dbraw/zinc/69/34/24/524693424.db2.gz 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O=C(NCCCOC1CCCCC1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000015177274 555882134 /nfs/dbraw/zinc/88/21/34/555882134.db2.gz ZCUVOCKJQKWCHS-UHFFFAOYSA-N -1 1 495.439 4.719 50 0 JJAAMM CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)[n-]c1=O ZINC000012008982 555884172 /nfs/dbraw/zinc/88/41/72/555884172.db2.gz RNTDFGBCZPQVHG-UHFFFAOYSA-N -1 1 479.540 4.935 50 0 JJAAMM COc1ccc(NS(=O)(=O)c2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc2C)cc1 ZINC000015587283 555917211 /nfs/dbraw/zinc/91/72/11/555917211.db2.gz KQNFDNZIQZUCBM-UHFFFAOYSA-N -1 1 482.583 4.758 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N(C)C)cc1 ZINC000012536138 556009011 /nfs/dbraw/zinc/00/90/11/556009011.db2.gz AIJLXDQMLWAXAP-JOCHJYFZSA-N -1 1 490.000 4.621 50 0 JJAAMM CC(C)c1ccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000015862900 556036164 /nfs/dbraw/zinc/03/61/64/556036164.db2.gz FQZMSGVSBTYWFH-UHFFFAOYSA-N -1 1 454.939 4.559 50 0 JJAAMM CCCc1cc(=O)[n-]c(S[C@@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)n1 ZINC000012566770 556065283 /nfs/dbraw/zinc/06/52/83/556065283.db2.gz PMVIARZJZJTETP-BJKOFHAPSA-N -1 1 477.611 4.742 50 0 JJAAMM O=C(Nc1ccc2c(=O)cc(-c3nn[n-]n3)oc2c1)c1ccc(OCCCCc2ccccc2)cc1 ZINC000015919406 556067287 /nfs/dbraw/zinc/06/72/87/556067287.db2.gz UAJUXJSXCLUTNU-UHFFFAOYSA-N -1 1 481.512 4.627 50 0 aggregator,world JJAAMM O=C(NC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)c1cccs1 ZINC000012582982 556080407 /nfs/dbraw/zinc/08/04/07/556080407.db2.gz FRYXGUIICQSXOL-UHFFFAOYSA-N -1 1 486.427 4.983 50 0 JJAAMM Cc1occc1-c1nnc(SCC(=O)[N-]C(=O)c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000023982885 556110463 /nfs/dbraw/zinc/11/04/63/556110463.db2.gz QMDJFQDSDYYRAY-UHFFFAOYSA-N -1 1 466.950 4.597 50 0 JJAAMM Cc1c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)sc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000024765504 556152774 /nfs/dbraw/zinc/15/27/74/556152774.db2.gz FHEUWZBLKHOGSK-MRXNPFEDSA-N -1 1 477.542 4.692 50 0 JJAAMM Cc1c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)sc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000024765511 556152891 /nfs/dbraw/zinc/15/28/91/556152891.db2.gz FHEUWZBLKHOGSK-INIZCTEOSA-N -1 1 477.542 4.692 50 0 JJAAMM Cc1ccc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)cc1Cl ZINC000024982177 556168372 /nfs/dbraw/zinc/16/83/72/556168372.db2.gz NJWHNBQZDULPKZ-FQEVSTJZSA-N -1 1 485.009 4.713 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)cc2)cc1 ZINC000016975036 556193543 /nfs/dbraw/zinc/19/35/43/556193543.db2.gz MFPVMVAXLCJWLO-QHCPKHFHSA-N -1 1 495.004 4.702 50 0 JJAAMM Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1 ZINC000017135728 556222921 /nfs/dbraw/zinc/22/29/21/556222921.db2.gz KOQGCVDZPLLRIQ-UHFFFAOYSA-N -1 1 473.924 4.538 50 0 JJAAMM O=C1N[C@H](c2cccc(Oc3ccccc3)c2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000027015707 556268210 /nfs/dbraw/zinc/26/82/10/556268210.db2.gz MPMCDMABJOFCCS-TXTKFYIRSA-N -1 1 474.410 4.722 50 0 JJAAMM Cc1ccc(S(=O)(=O)Nc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1C ZINC000030530959 556366544 /nfs/dbraw/zinc/36/65/44/556366544.db2.gz VOXFBTZIWGIHMR-UHFFFAOYSA-N -1 1 450.969 4.558 50 0 JJAAMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@H]1CCCc2ccccc21 ZINC000032754809 556486975 /nfs/dbraw/zinc/48/69/75/556486975.db2.gz MBNVHLVOOBCJBV-QHCPKHFHSA-N -1 1 456.514 4.915 50 0 JJAAMM COc1cccc(-n2c3nc(SCC(=O)Nc4cccc(Cl)c4)[n-]c(=O)c3sc2=S)c1 ZINC000032948289 556563485 /nfs/dbraw/zinc/56/34/85/556563485.db2.gz IFIALTVNWQMZFS-UHFFFAOYSA-N -1 1 491.019 4.898 50 0 JJAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1)NCc1ccccc1 ZINC000032948344 556563490 /nfs/dbraw/zinc/56/34/90/556563490.db2.gz SMTMUIDVPRFJAY-UHFFFAOYSA-N -1 1 475.020 4.979 50 0 JJAAMM COc1ccc(Cl)cc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000032948565 556564417 /nfs/dbraw/zinc/56/44/17/556564417.db2.gz OACKWJUFQGZUPN-UHFFFAOYSA-N -1 1 491.019 4.898 50 0 JJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595794 562944167 /nfs/dbraw/zinc/94/41/67/562944167.db2.gz GEOPKSGLHGUJHX-DEOSSOPVSA-N -1 1 473.485 4.613 50 0 JJAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1 ZINC000008610125 562947437 /nfs/dbraw/zinc/94/74/37/562947437.db2.gz PIRYAEVNLZMGPF-UHFFFAOYSA-N -1 1 450.564 4.527 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)o3)ccc2N2CCCCC2)cc1 ZINC000008686894 562953098 /nfs/dbraw/zinc/95/30/98/562953098.db2.gz ODPDCCKIDQBQGF-UHFFFAOYSA-N -1 1 469.563 4.640 50 0 aggregator JJAAMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1c(Br)cc(F)cc1Br ZINC000062588269 569612119 /nfs/dbraw/zinc/61/21/19/569612119.db2.gz WZMXFZXGXMJGOS-UHFFFAOYSA-N -1 1 461.509 4.944 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(=O)OCc4ccccc4)c3c2)cc1 ZINC000008439294 569589763 /nfs/dbraw/zinc/58/97/63/569589763.db2.gz GMKDROHSKJFXHX-UHFFFAOYSA-N -1 1 451.500 4.908 50 0 JJAAMM CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[n-]1)C(=O)Nc1ccc(C)c(C)c1 ZINC000064579524 569620417 /nfs/dbraw/zinc/62/04/17/569620417.db2.gz BVEALZMOLABXQE-IBGZPJMESA-N -1 1 485.631 4.758 50 0 JJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(CC[NH+]3CCCCC3)CC2)c1 ZINC000064580645 569620494 /nfs/dbraw/zinc/62/04/94/569620494.db2.gz FMZXDMHHVQTTSP-UHFFFAOYSA-N -1 1 499.677 4.895 50 0 JJAAMM CCCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)cc1 ZINC000064580867 569620749 /nfs/dbraw/zinc/62/07/49/569620749.db2.gz FJDCAOYMAXDDQE-UHFFFAOYSA-N -1 1 485.606 4.921 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3C)[n-]c2=O)cc1 ZINC000064591975 569622145 /nfs/dbraw/zinc/62/21/45/569622145.db2.gz RVASZQFFTULVKT-UHFFFAOYSA-N -1 1 485.631 4.705 50 0 JJAAMM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)s2)c1NC(=O)C1CC1 ZINC000033306600 569622527 /nfs/dbraw/zinc/62/25/27/569622527.db2.gz ZEBBULNXTCITCN-VMPITWQZSA-N -1 1 465.503 4.642 50 0 JJAAMM CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c1)NC(=O)CCC2=O ZINC000065011092 569648109 /nfs/dbraw/zinc/64/81/09/569648109.db2.gz TYYLUZUIBQYWCI-UHFFFAOYSA-N -1 1 480.590 4.601 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035971 569652869 /nfs/dbraw/zinc/65/28/69/569652869.db2.gz AOCCSHXMGDQKNV-UHFFFAOYSA-N -1 1 486.663 4.809 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3C)c(C)n2C)sc1C(=O)N1CCC(C)CC1 ZINC000065036194 569653120 /nfs/dbraw/zinc/65/31/20/569653120.db2.gz XGBDMGOLGHYULK-UHFFFAOYSA-N -1 1 486.663 4.747 50 0 JJAAMM CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3C)c(C)n2C)nc1C ZINC000065036532 569653432 /nfs/dbraw/zinc/65/34/32/569653432.db2.gz JOYAAQVJOKNJEK-UHFFFAOYSA-N -1 1 474.652 4.665 50 0 JJAAMM CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(C)n2C)nc1C ZINC000065036566 569653638 /nfs/dbraw/zinc/65/36/38/569653638.db2.gz YMVKELCLFWUTKR-UHFFFAOYSA-N -1 1 499.033 4.841 50 0 JJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CCC3)c2)c1 ZINC000065059823 569655020 /nfs/dbraw/zinc/65/50/20/569655020.db2.gz DFEMSGLVWGXHBF-UHFFFAOYSA-N -1 1 451.548 4.574 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCCCC4)n3)ccc2C)cc1Cl ZINC000065319092 569673764 /nfs/dbraw/zinc/67/37/64/569673764.db2.gz BQJLWRZMDDVCAP-UHFFFAOYSA-N -1 1 488.997 4.824 50 0 JJAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)n2)cc1 ZINC000065330983 569675017 /nfs/dbraw/zinc/67/50/17/569675017.db2.gz YGCWMGHGHDKXSX-UHFFFAOYSA-N -1 1 476.436 4.686 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCCCc4ccccc4)C2)nc3=O)cc1 ZINC000067246295 569682107 /nfs/dbraw/zinc/68/21/07/569682107.db2.gz YHEKICQKWUPBLA-QFIPXVFZSA-N -1 1 486.641 4.925 50 0 JJAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)c(OC)c2c1OCCO2 ZINC000085412387 569710462 /nfs/dbraw/zinc/71/04/62/569710462.db2.gz YMUPFMZHQAGFFV-NRFANRHFSA-N -1 1 459.568 4.746 50 0 JJAAMM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664800 569714805 /nfs/dbraw/zinc/71/48/05/569714805.db2.gz GUCBJMYMJPTLMM-UHFFFAOYSA-N -1 1 452.277 4.720 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc5nccnc5c3)CC(=O)O4)c2=O)cc1 ZINC000085875471 569715635 /nfs/dbraw/zinc/71/56/35/569715635.db2.gz IRUPROMFJGDMSH-QGZVFWFLSA-N -1 1 466.449 4.558 50 0 biogenic JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc3nccnc3c2)cc1 ZINC000085875471 569715636 /nfs/dbraw/zinc/71/56/36/569715636.db2.gz IRUPROMFJGDMSH-QGZVFWFLSA-N -1 1 466.449 4.558 50 0 biogenic JJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)cc1OC ZINC000086057453 569717337 /nfs/dbraw/zinc/71/73/37/569717337.db2.gz REKWORXLRCMSDR-KRWDZBQOSA-N -1 1 485.993 4.987 50 0 JJAAMM CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000086057568 569717471 /nfs/dbraw/zinc/71/74/71/569717471.db2.gz QSKBPVJZQOEODC-MRXNPFEDSA-N -1 1 471.966 4.597 50 0 JJAAMM CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000086057565 569717497 /nfs/dbraw/zinc/71/74/97/569717497.db2.gz QSKBPVJZQOEODC-INIZCTEOSA-N -1 1 471.966 4.597 50 0 JJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1OC ZINC000086057539 569717500 /nfs/dbraw/zinc/71/75/00/569717500.db2.gz IKYWVPLXBIHLRF-KRWDZBQOSA-N -1 1 485.993 4.987 50 0 JJAAMM CC[C@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2CN(Cc2ccccc2)C1=O ZINC000035886809 569720650 /nfs/dbraw/zinc/72/06/50/569720650.db2.gz BHISEYINQFILPP-JOCHJYFZSA-N -1 1 470.978 4.841 50 0 JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1cc3c(c(Cl)c1)OCO3)CC(=O)O2 ZINC000096114795 569733832 /nfs/dbraw/zinc/73/38/32/569733832.db2.gz VWSNAYWQTJQIKT-CQSZACIVSA-N -1 1 478.840 4.694 50 0 biogenic JJAAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc(OC)c1OC ZINC000096115792 569734701 /nfs/dbraw/zinc/73/47/01/569734701.db2.gz VGQNUUIPHYIDSU-MRXNPFEDSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 ZINC000096116417 569735350 /nfs/dbraw/zinc/73/53/50/569735350.db2.gz SSAROIRYUILLBM-IBGZPJMESA-N -1 1 491.499 4.868 50 0 biogenic JJAAMM O=S(=O)([N-]c1ccc(I)cc1Cl)c1ccc(Br)cc1F ZINC000096171257 569737058 /nfs/dbraw/zinc/73/70/58/569737058.db2.gz OXTZJRFHQAPFRV-UHFFFAOYSA-N -1 1 490.519 4.647 50 0 JJAAMM COC(=O)C[C@H]1c2c(nc3sccn32)Oc2cc(=O)c3c([O-])c(-c4ccc(OC)cc4)coc-3c21 ZINC000096222093 569739296 /nfs/dbraw/zinc/73/92/96/569739296.db2.gz ZOYDYUPXFAGNER-CQSZACIVSA-N -1 1 490.493 4.684 50 0 biogenic JJAAMM COC(=O)C[C@@H]1c2c(nc3sccn32)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096222721 569739595 /nfs/dbraw/zinc/73/95/95/569739595.db2.gz DBTABEQCFLISOR-ZDUSSCGKSA-N -1 1 460.467 4.676 50 0 biogenic JJAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101115758 569783465 /nfs/dbraw/zinc/78/34/65/569783465.db2.gz JPEMRARTJNKTAG-NXCFDTQHSA-N -1 1 472.541 4.925 50 0 JJAAMM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c(=O)n1Cc1ccccc1 ZINC000101495018 569800106 /nfs/dbraw/zinc/80/01/06/569800106.db2.gz JLNIWYJQAIZFCI-HXUWFJFHSA-N -1 1 461.568 4.710 50 0 JJAAMM O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2cccc(O)c2)C1 ZINC000101495288 569800426 /nfs/dbraw/zinc/80/04/26/569800426.db2.gz BUNAWEXXVCEFHA-OAQYLSRUSA-N -1 1 491.956 4.948 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccs3)C(=O)c3ccc(Cl)cc3)nn2c1=O ZINC000101861488 569806575 /nfs/dbraw/zinc/80/65/75/569806575.db2.gz ZXKWARYABRGMDM-UHFFFAOYSA-N -1 1 455.971 4.631 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(OCC)cc3)C(=O)C3CCCCC3)nn2c1=O ZINC000101878694 569806780 /nfs/dbraw/zinc/80/67/80/569806780.db2.gz GNURTHOQFIARCK-UHFFFAOYSA-N -1 1 465.598 4.581 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)C3CCCCC3)nn2c1=O ZINC000101878545 569806877 /nfs/dbraw/zinc/80/68/77/569806877.db2.gz AESGRNCREPEYSO-UHFFFAOYSA-N -1 1 455.990 4.836 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3ccc(F)cc3)nn2c1=O ZINC000101878496 569806916 /nfs/dbraw/zinc/80/69/16/569806916.db2.gz MPPYVSXQPCBBDH-UHFFFAOYSA-N -1 1 467.932 4.708 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3ccc(C)cc3)nn2c1=O ZINC000101878491 569806927 /nfs/dbraw/zinc/80/69/27/569806927.db2.gz CEOUTHXCHVMDSR-UHFFFAOYSA-N -1 1 463.969 4.877 50 0 JJAAMM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)c1 ZINC000102707399 569816577 /nfs/dbraw/zinc/81/65/77/569816577.db2.gz NXNRZMZYTUWXGY-KKUQBAQOSA-N -1 1 450.494 4.900 50 0 JJAAMM Cc1cc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc(=O)n2o1 ZINC000041089678 569837382 /nfs/dbraw/zinc/83/73/82/569837382.db2.gz UHIOBCQMBVFCIV-UHFFFAOYSA-N -1 1 483.615 4.888 50 0 JJAAMM O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421215 569846941 /nfs/dbraw/zinc/84/69/41/569846941.db2.gz QEGRXEFPECWKNB-DENIHFKCSA-N -1 1 470.598 4.672 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCc4cccs4)C2)nc3=O)cc1 ZINC000049421296 569847032 /nfs/dbraw/zinc/84/70/32/569847032.db2.gz DUDSCJGICBIAEQ-KRWDZBQOSA-N -1 1 464.616 4.554 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCc4ccc(F)cc4)C2)nc3=O)cc1 ZINC000049421285 569847105 /nfs/dbraw/zinc/84/71/05/569847105.db2.gz TYDZPBHGZUPRNV-LJQANCHMSA-N -1 1 476.577 4.632 50 0 JJAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NC4CCC(C)CC4)C2)nc3=O)c1 ZINC000049421338 569847206 /nfs/dbraw/zinc/84/72/06/569847206.db2.gz NVHYPQRKBHHGBF-CUYAVPTFSA-N -1 1 480.634 4.572 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCc4ccc(F)cc4)CC2)nc3=O)c1 ZINC000049421379 569847289 /nfs/dbraw/zinc/84/72/89/569847289.db2.gz WITXMELUKUOTCE-UHFFFAOYSA-N -1 1 476.577 4.632 50 0 JJAAMM CCc1cccc(C)c1N1C(=O)C[C@@H](Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1=O ZINC000113626146 569861930 /nfs/dbraw/zinc/86/19/30/569861930.db2.gz JDSJGCZFZRMNLV-JOCHJYFZSA-N -1 1 480.611 4.782 50 0 JJAAMM Cc1ccc(N2C(=O)C[C@@H](Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2=O)cc1C ZINC000113626515 569861963 /nfs/dbraw/zinc/86/19/63/569861963.db2.gz VMAOYXSUTUKGKY-JOCHJYFZSA-N -1 1 466.584 4.528 50 0 JJAAMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1O ZINC000136785238 569864740 /nfs/dbraw/zinc/86/47/40/569864740.db2.gz BNKQBHYZEXZORQ-UHFFFAOYSA-N -1 1 496.567 4.546 50 0 JJAAMM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000137885753 569865436 /nfs/dbraw/zinc/86/54/36/569865436.db2.gz HHBJMBDMRPNYGU-JIMJEQGWSA-N -1 1 472.541 4.844 50 0 JJAAMM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000138610450 569866081 /nfs/dbraw/zinc/86/60/81/569866081.db2.gz VGXXSSLSPZIDOU-RJGXRXQPSA-N -1 1 455.901 4.939 50 0 JJAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cc(F)c(F)cc3Cl)c2)cc1 ZINC000001027115 194005233 /nfs/dbraw/zinc/00/52/33/194005233.db2.gz FXBDVAPGUGZHJK-UHFFFAOYSA-N -1 1 479.892 4.630 50 0 JJAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000001145103 194046949 /nfs/dbraw/zinc/04/69/49/194046949.db2.gz BLANXLPNTWMGIQ-UHFFFAOYSA-N -1 1 464.996 4.867 50 0 JJAAMM O=S(=O)([N-]c1ccc2oc(-c3ccc(I)cc3)nc2c1)c1ccccc1 ZINC000001205488 194069818 /nfs/dbraw/zinc/06/98/18/194069818.db2.gz WMMXZAXTOHBOLY-UHFFFAOYSA-N -1 1 476.295 4.900 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000001230298 194076510 /nfs/dbraw/zinc/07/65/10/194076510.db2.gz LLMCIFWWCDLNIG-UHFFFAOYSA-N -1 1 456.372 4.935 50 0 JJAAMM Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(I)cc3)c2)c1 ZINC000001230294 194076608 /nfs/dbraw/zinc/07/66/08/194076608.db2.gz XAHNZJXJIOWYMJ-UHFFFAOYSA-N -1 1 492.338 4.653 50 0 JJAAMM CCOC(=O)c1cnc(SC)nc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001394768 194114583 /nfs/dbraw/zinc/11/45/83/194114583.db2.gz VGMURPJAMONRAF-UHFFFAOYSA-N -1 1 479.967 4.622 50 0 aggregator JJAAMM CCOC(=O)CN1C(=O)N(c2ccc(Cl)cc2)[C@H](N([O-])C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000001509764 194126820 /nfs/dbraw/zinc/12/68/20/194126820.db2.gz USWBBVNNTCQJRV-LJQANCHMSA-N -1 1 495.363 4.827 50 0 JJAAMM O=C(Nc1cccc2c(=O)cc(-c3nn[n-]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1 ZINC000001542146 194127538 /nfs/dbraw/zinc/12/75/38/194127538.db2.gz NBQKINXMPLXUET-UHFFFAOYSA-N -1 1 481.512 4.627 50 0 world JJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)ccc2C)cc1C ZINC000002886356 194167364 /nfs/dbraw/zinc/16/73/64/194167364.db2.gz DCHZRUAYPRRJHM-UHFFFAOYSA-N -1 1 491.613 4.901 50 0 JJAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cc(=O)c2ccccc2o1 ZINC000003254764 194252893 /nfs/dbraw/zinc/25/28/93/194252893.db2.gz WGDOIBCRLCAOCA-UHFFFAOYSA-N -1 1 488.443 4.865 50 0 JJAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003341280 194290479 /nfs/dbraw/zinc/29/04/79/194290479.db2.gz BKANJEVLKZDBAO-UHFFFAOYSA-N -1 1 490.412 4.757 50 0 JJAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(F)c(Cl)c1 ZINC000003427493 194320636 /nfs/dbraw/zinc/32/06/36/194320636.db2.gz OLKVGONYNRRCFP-UHFFFAOYSA-N -1 1 475.350 4.734 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163816 194382079 /nfs/dbraw/zinc/38/20/79/194382079.db2.gz IOACSLMWJMVTPK-WAOWUJCRSA-N -1 1 464.827 4.704 50 0 JJAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000009903381 195017286 /nfs/dbraw/zinc/01/72/86/195017286.db2.gz ACXPFCWWDLPFFX-UHFFFAOYSA-N -1 1 452.923 4.783 50 0 JJAAMM Cc1cc(C)nc(SCC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2C)n1 ZINC000009882906 195011174 /nfs/dbraw/zinc/01/11/74/195011174.db2.gz ACAOVMRPPFGXLW-UHFFFAOYSA-N -1 1 477.011 4.587 50 0 JJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3nc4ccccc4s3)c2)c1 ZINC000009890120 195015189 /nfs/dbraw/zinc/01/51/89/195015189.db2.gz HKJMKGJKFGAXEW-UHFFFAOYSA-N -1 1 465.600 4.986 50 0 JJAAMM CN(Cc1cccc(Cl)c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012605265 195050573 /nfs/dbraw/zinc/05/05/73/195050573.db2.gz JANYBHGZLGTDEZ-UHFFFAOYSA-N -1 1 450.894 4.691 50 0 JJAAMM C[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Br)cc1 ZINC000012605271 195050605 /nfs/dbraw/zinc/05/06/05/195050605.db2.gz CAGMVEVEBUBKSD-OAHLLOKOSA-N -1 1 491.382 4.809 50 0 JJAAMM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000012605604 195051230 /nfs/dbraw/zinc/05/12/30/195051230.db2.gz HRWOOHCISXTVBO-UHFFFAOYSA-N -1 1 471.387 4.903 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cccs3)ccc2N2CCCCC2)cc1 ZINC000012630656 195062624 /nfs/dbraw/zinc/06/26/24/195062624.db2.gz MXMLPFNCNRTPJM-UHFFFAOYSA-N -1 1 485.631 4.729 50 0 JJAAMM C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000012745327 195102171 /nfs/dbraw/zinc/10/21/71/195102171.db2.gz AVPYHMMXRHDVTF-CYBMUJFWSA-N -1 1 454.876 4.986 50 0 JJAAMM CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012823995 195150595 /nfs/dbraw/zinc/15/05/95/195150595.db2.gz FBARHRMWPIWUSM-UHFFFAOYSA-N -1 1 478.492 4.576 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCCCC3)ccc2N2CCCC2)cc1 ZINC000020684804 195204732 /nfs/dbraw/zinc/20/47/32/195204732.db2.gz KLMGHPWUDXHXAW-UHFFFAOYSA-N -1 1 455.624 4.849 50 0 JJAAMM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(C4=Nc5ccccc5Oc5ccccc54)CC3)c2c1 ZINC000020726839 195207949 /nfs/dbraw/zinc/20/79/49/195207949.db2.gz NBGPBDKJMLOMIJ-AREMUKBSSA-N -1 1 482.540 4.804 50 0 JJAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)Nc1cccc(C(F)(F)F)c1 ZINC000020901847 195241424 /nfs/dbraw/zinc/24/14/24/195241424.db2.gz BOGUGTMPBWFMRO-UHFFFAOYSA-N -1 1 492.498 4.629 50 0 JJAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])c1 ZINC000020903839 195243774 /nfs/dbraw/zinc/24/37/74/195243774.db2.gz BHXXBRWBARGHGF-IRLDBZIGSA-N -1 1 490.610 4.935 50 0 JJAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3NC34CC5CC(CC(C5)C3)C4)ccc2N1 ZINC000058356744 195378481 /nfs/dbraw/zinc/37/84/81/195378481.db2.gz DXNZGAVNEMOOGA-UHFFFAOYSA-N -1 1 451.592 4.753 50 0 JJAAMM CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n[nH]1 ZINC000058014839 195362509 /nfs/dbraw/zinc/36/25/09/195362509.db2.gz OWDFHQVTMXAKGH-UHFFFAOYSA-N -1 1 461.547 4.648 50 0 JJAAMM COc1ccc(Br)cc1[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000021784418 195320964 /nfs/dbraw/zinc/32/09/64/195320964.db2.gz UORVDARJPUTTQS-OAHLLOKOSA-N -1 1 490.354 4.859 50 0 JJAAMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000016128248 518463175 /nfs/dbraw/zinc/46/31/75/518463175.db2.gz BUYGKHAEKQHTQM-UHFFFAOYSA-N -1 1 462.449 4.961 50 0 JJAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000045941003 519838735 /nfs/dbraw/zinc/83/87/35/519838735.db2.gz DBVOOAIUGSJZGZ-UHFFFAOYSA-N -1 1 467.616 4.952 50 0 JJAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000033254107 519838840 /nfs/dbraw/zinc/83/88/40/519838840.db2.gz ANKXELMLNNZISB-HXUWFJFHSA-N -1 1 485.650 4.621 50 0 JJAAMM 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/nfs/dbraw/zinc/04/89/35/556048935.db2.gz KDYNKAOHZUQPJT-UHFFFAOYSA-N -1 1 450.963 4.760 50 0 JJAAMM CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)nn2)CC1 ZINC000015882208 556055590 /nfs/dbraw/zinc/05/55/90/556055590.db2.gz WLFJFNKMWBZALU-UHFFFAOYSA-N -1 1 487.423 4.943 50 0 JJAAMM CCOC(=O)c1ccc2nc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)sc2c1 ZINC000015882443 556056707 /nfs/dbraw/zinc/05/67/07/556056707.db2.gz FQRIYLCVFYSIDW-UHFFFAOYSA-N -1 1 499.545 4.665 50 0 JJAAMM O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1[O-])c1cccc(Oc2ccccc2)c1 ZINC000012563407 556058290 /nfs/dbraw/zinc/05/82/90/556058290.db2.gz CUJWWBXFSUYBCQ-UHFFFAOYSA-N -1 1 452.532 4.611 50 0 JJAAMM CCCc1cc(=O)[n-]c(S[C@@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccccc2)n1 ZINC000012566772 556065385 /nfs/dbraw/zinc/06/53/85/556065385.db2.gz PMVIARZJZJTETP-DNQXCXABSA-N -1 1 477.611 4.742 50 0 JJAAMM COCCN(Cc1ccco1)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000025096185 556179490 /nfs/dbraw/zinc/17/94/90/556179490.db2.gz ITLJLKAUWDRXCR-UHFFFAOYSA-N -1 1 497.400 4.605 50 0 JJAAMM COc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000016960408 556190948 /nfs/dbraw/zinc/19/09/48/556190948.db2.gz BOIMRXLDDCIGJH-UHFFFAOYSA-N -1 1 491.019 4.898 50 0 JJAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)Nc2nccs2)s1 ZINC000016977044 556194459 /nfs/dbraw/zinc/19/44/59/556194459.db2.gz WRLWGIMLDNGCAS-UHFFFAOYSA-N -1 1 492.995 4.595 50 0 JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)ccc1OCc1ccc(C)cc1 ZINC000017112912 556218007 /nfs/dbraw/zinc/21/80/07/556218007.db2.gz SVOFXQYISOVZJF-OAQYLSRUSA-N -1 1 467.525 4.807 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3)[n-]c2=O)cc1 ZINC000017271437 556250233 /nfs/dbraw/zinc/25/02/33/556250233.db2.gz PNHBDKRRHZWHDS-UHFFFAOYSA-N -1 1 492.022 4.742 50 0 JJAAMM CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018037071 556278272 /nfs/dbraw/zinc/27/82/72/556278272.db2.gz GSABNNPPGFSLPR-SDHSZQHLSA-N -1 1 458.514 4.535 50 0 JJAAMM O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000018105051 556288172 /nfs/dbraw/zinc/28/81/72/556288172.db2.gz WVAHXZCBWYDANQ-UHFFFAOYSA-N -1 1 487.940 4.659 50 0 JJAAMM CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)c2ccc([O-])cc2O)sc2c3CCC2)cc1 ZINC000013098708 556297968 /nfs/dbraw/zinc/29/79/68/556297968.db2.gz QEKSRQYERVMUCF-UHFFFAOYSA-N -1 1 494.594 4.721 50 0 JJAAMM CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000013108629 556306145 /nfs/dbraw/zinc/30/61/45/556306145.db2.gz RDFIBEVLNVSJGG-UHFFFAOYSA-N -1 1 453.545 4.645 50 0 JJAAMM Cn1c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049230 556314314 /nfs/dbraw/zinc/31/43/14/556314314.db2.gz HCXPQDREENIXIS-UHFFFAOYSA-N -1 1 485.675 4.981 50 0 JJAAMM COc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(C(C)C)cc2)n(C)c(=O)n3C)cc1 ZINC000028049344 556314647 /nfs/dbraw/zinc/31/46/47/556314647.db2.gz DJRGYZJCJIDIGH-UHFFFAOYSA-N -1 1 497.642 4.961 50 0 JJAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000013126594 556341997 /nfs/dbraw/zinc/34/19/97/556341997.db2.gz IXELQIGRRHLOHM-UHFFFAOYSA-N -1 1 493.560 4.716 50 0 JJAAMM O=C(c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)N1CCCC1 ZINC000030530843 556366672 /nfs/dbraw/zinc/36/66/72/556366672.db2.gz NHUIPJQTXAORCR-UHFFFAOYSA-N -1 1 466.403 4.761 50 0 JJAAMM CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccccc4F)[n-]c(=O)c3sc2=S)cc1 ZINC000032948237 556563149 /nfs/dbraw/zinc/56/31/49/556563149.db2.gz CZMUHUODTFQYIN-UHFFFAOYSA-N -1 1 488.591 4.773 50 0 JJAAMM COc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000032948365 556563759 /nfs/dbraw/zinc/56/37/59/556563759.db2.gz ORKGQRWQPDPTMK-UHFFFAOYSA-N -1 1 491.019 4.898 50 0 JJAAMM Cc1ccccc1-n1c2nc(SCC(=O)Nc3ccccc3F)[n-]c(=O)c2sc1=S ZINC000032948448 556564024 /nfs/dbraw/zinc/56/40/24/556564024.db2.gz QTLQLSBUDBQHGJ-UHFFFAOYSA-N -1 1 458.565 4.683 50 0 JJAAMM Cc1ccc(-n2c3nc(SCC(=O)Nc4ccc(C)c(F)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948627 556564285 /nfs/dbraw/zinc/56/42/85/556564285.db2.gz RSGIHJPQNNGBJY-UHFFFAOYSA-N -1 1 472.592 4.992 50 0 JJAAMM Cc1ccc(F)cc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000032948570 556564321 /nfs/dbraw/zinc/56/43/21/556564321.db2.gz NBOYIOZOIIATJI-UHFFFAOYSA-N -1 1 458.565 4.683 50 0 JJAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)Nc1cc(F)ccc1F ZINC000032948552 556564377 /nfs/dbraw/zinc/56/43/77/556564377.db2.gz MVUWHKOBHXVEDS-UHFFFAOYSA-N -1 1 462.528 4.514 50 0 JJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000008595824 562944231 /nfs/dbraw/zinc/94/42/31/562944231.db2.gz SROCSVCAABASIM-DEOSSOPVSA-N -1 1 473.485 4.701 50 0 JJAAMM Cc1cccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccccc5)cc4)cn3)n2)c1 ZINC000032974768 569605906 /nfs/dbraw/zinc/60/59/06/569605906.db2.gz IPQZXDPQQJQLNS-UHFFFAOYSA-N -1 1 471.542 4.758 50 0 JJAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000063600955 569615774 /nfs/dbraw/zinc/61/57/74/569615774.db2.gz VXYLTRGTRQWFMT-UHFFFAOYSA-N -1 1 485.650 4.764 50 0 JJAAMM CCc1ccccc1S(=O)(=O)[N-]c1cc2sc(NC(=O)c3ccccc3)nc2c(OC)c1 ZINC000033008025 569615854 /nfs/dbraw/zinc/61/58/54/569615854.db2.gz KMYYTWAMAMIFSY-UHFFFAOYSA-N -1 1 467.572 4.920 50 0 JJAAMM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000064558206 569618641 /nfs/dbraw/zinc/61/86/41/569618641.db2.gz YQHLMNHDHANRLN-HSZRJFAPSA-N -1 1 463.555 4.897 50 0 JJAAMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nc5ccccc5s4)c(Cl)c3)ccc21 ZINC000033124034 569621719 /nfs/dbraw/zinc/62/17/19/569621719.db2.gz KXNTXQIJYLOYBB-UHFFFAOYSA-N -1 1 469.975 4.936 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3C)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035943 569652828 /nfs/dbraw/zinc/65/28/28/569652828.db2.gz BTIIVVJHYZHLMZ-UHFFFAOYSA-N -1 1 472.636 4.501 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035905 569652877 /nfs/dbraw/zinc/65/28/77/569652877.db2.gz NEVFWBCYTIJDKE-UHFFFAOYSA-N -1 1 493.054 4.846 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(C)n2C)sc1C(=O)N1CCC(C)CC1 ZINC000065036181 569653190 /nfs/dbraw/zinc/65/31/90/569653190.db2.gz QWAITFXVEYFRKL-UHFFFAOYSA-N -1 1 490.626 4.577 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)c(C)n2C)sc1C(=O)N1CCCC1 ZINC000065036458 569653456 /nfs/dbraw/zinc/65/34/56/569653456.db2.gz ZXHDKCVBAFZWED-UHFFFAOYSA-N -1 1 486.663 4.728 50 0 JJAAMM CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)c(C)n2C)nc1C ZINC000065036549 569653531 /nfs/dbraw/zinc/65/35/31/569653531.db2.gz XDIJUIFVECHZET-UHFFFAOYSA-N -1 1 474.652 4.665 50 0 JJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CCCC3)c2)c1 ZINC000065059760 569654998 /nfs/dbraw/zinc/65/49/98/569654998.db2.gz LPGYGRUUMGVVLC-UHFFFAOYSA-N -1 1 465.575 4.964 50 0 JJAAMM CC[C@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000065063329 569656402 /nfs/dbraw/zinc/65/64/02/569656402.db2.gz OEENPWJWCZWTIR-HNNXBMFYSA-N -1 1 459.955 4.856 50 0 JJAAMM CCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000065063338 569656417 /nfs/dbraw/zinc/65/64/17/569656417.db2.gz YBMCWNVDTNWYJE-UHFFFAOYSA-N -1 1 459.955 4.858 50 0 JJAAMM CC(C)NC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000065063593 569656985 /nfs/dbraw/zinc/65/69/85/569656985.db2.gz GTRBYVXCXDLNJX-UHFFFAOYSA-N -1 1 490.379 4.575 50 0 JJAAMM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccccc3Cl)c2)sc1C(=O)N1CCCC1 ZINC000065117024 569666828 /nfs/dbraw/zinc/66/68/28/569666828.db2.gz JLQXLIMQNKIGLC-UHFFFAOYSA-N -1 1 468.025 4.870 50 0 JJAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCCCC3)n2)ccc1C ZINC000065319074 569673596 /nfs/dbraw/zinc/67/35/96/569673596.db2.gz ZJCSIQLELUICKE-UHFFFAOYSA-N -1 1 488.997 4.824 50 0 JJAAMM Cc1ccc(-c2noc(C(=O)N3CCCCCC3)n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000065319091 569673775 /nfs/dbraw/zinc/67/37/75/569673775.db2.gz LXONSSQXGXVIML-UHFFFAOYSA-N -1 1 488.997 4.824 50 0 JJAAMM CCOc1ccccc1[C@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1C(C)=O ZINC000035684019 569706752 /nfs/dbraw/zinc/70/67/52/569706752.db2.gz HANXAVJMHLRXLG-XMMPIXPASA-N -1 1 463.559 4.584 50 0 JJAAMM CC(C)(C)CC(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000035744885 569709492 /nfs/dbraw/zinc/70/94/92/569709492.db2.gz PBEOEJIGYUUNTR-UHFFFAOYSA-N -1 1 484.449 4.879 50 0 JJAAMM Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3C)c2)ccc1=O ZINC000085652016 569713683 /nfs/dbraw/zinc/71/36/83/569713683.db2.gz ATSYNBPZIOESBU-UHFFFAOYSA-N -1 1 484.965 4.575 50 0 JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2coc3ccccc3c2=O)cc1 ZINC000085875216 569715625 /nfs/dbraw/zinc/71/56/25/569715625.db2.gz GCKWCFLASNUINY-KRWDZBQOSA-N -1 1 482.444 4.722 50 0 biogenic JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N[C@@H]4CCCC[C@H]4C)CC2)nc3=O)c1 ZINC000085825082 569715744 /nfs/dbraw/zinc/71/57/44/569715744.db2.gz HXCUKKRRQJWQDS-DYESRHJHSA-N -1 1 464.635 4.871 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cccc(OC)c3OC)CC(=O)O4)c2=O)cc1 ZINC000085878230 569716065 /nfs/dbraw/zinc/71/60/65/569716065.db2.gz KKBNUCMIKKFSOZ-KRWDZBQOSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cccc(OC)c2OC)cc1 ZINC000085878230 569716067 /nfs/dbraw/zinc/71/60/67/569716067.db2.gz KKBNUCMIKKFSOZ-KRWDZBQOSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057078 569717034 /nfs/dbraw/zinc/71/70/34/569717034.db2.gz MVMLIKCLTHZONB-GOSISDBHSA-N -1 1 465.575 4.641 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086056970 569717040 /nfs/dbraw/zinc/71/70/40/569717040.db2.gz IPESDTNKZFPWBP-SFHVURJKSA-N -1 1 465.575 4.580 50 0 JJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)cc1 ZINC000086057438 569717339 /nfs/dbraw/zinc/71/73/39/569717339.db2.gz LYVDQPLGUZTICH-SFHVURJKSA-N -1 1 455.967 4.979 50 0 JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057607 569717451 /nfs/dbraw/zinc/71/74/51/569717451.db2.gz BSIHUGOXPZTTRW-QGZVFWFLSA-N -1 1 485.993 4.986 50 0 JJAAMM COc1ccc(Cc2nnc([N-]C(=O)c3nc(Br)sc3C(C)C)s2)cc1 ZINC000095472345 569723855 /nfs/dbraw/zinc/72/38/55/569723855.db2.gz ASASDXBEZLLOSV-UHFFFAOYSA-N -1 1 453.387 4.732 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN([C@H](C)c2ccc(F)cc2)C(=O)CO3)cc1F ZINC000035910068 569725406 /nfs/dbraw/zinc/72/54/06/569725406.db2.gz LAIKITORIGKOEM-MRXNPFEDSA-N -1 1 472.513 4.556 50 0 JJAAMM COc1cc(OC)c([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OC ZINC000096114048 569733125 /nfs/dbraw/zinc/73/31/25/569733125.db2.gz PAFDTEPYORNILQ-MRXNPFEDSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)ccc1OC(F)F ZINC000096114527 569733648 /nfs/dbraw/zinc/73/36/48/569733648.db2.gz VGHGICDIZBAISC-OAHLLOKOSA-N -1 1 496.418 4.922 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1cc3c(c(Cl)c1)OCO3)CC(=O)O2 ZINC000096114794 569733818 /nfs/dbraw/zinc/73/38/18/569733818.db2.gz VWSNAYWQTJQIKT-AWEZNQCLSA-N -1 1 478.840 4.694 50 0 biogenic JJAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[n-]c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000100821760 569771397 /nfs/dbraw/zinc/77/13/97/569771397.db2.gz YWEAJAORQYWKAL-GOSISDBHSA-N -1 1 471.941 4.859 50 0 JJAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(C)s3)C2)c1[O-] ZINC000101495341 569800493 /nfs/dbraw/zinc/80/04/93/569800493.db2.gz ZYJZVTOJRFNKNH-OAQYLSRUSA-N -1 1 491.594 4.968 50 0 JJAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@H](c2cccnc2)C1 ZINC000101766884 569804955 /nfs/dbraw/zinc/80/49/55/569804955.db2.gz AVFNOTYEDFMLBO-FQEVSTJZSA-N -1 1 476.945 4.638 50 0 JJAAMM Cc1ccc(CN(C(=O)c2cccs2)c2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)cc1 ZINC000101861147 569806454 /nfs/dbraw/zinc/80/64/54/569806454.db2.gz YSGZQGGLIRJKON-UHFFFAOYSA-N -1 1 469.570 4.534 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccs3)C(=O)c3cccc(Cl)c3)nn2c1=O ZINC000101861497 569806619 /nfs/dbraw/zinc/80/66/19/569806619.db2.gz KGZQBCYLAZBJAR-UHFFFAOYSA-N -1 1 455.971 4.631 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3cccc(C)c3)nn2c1=O ZINC000101878521 569806881 /nfs/dbraw/zinc/80/68/81/569806881.db2.gz AZXXVLVATHJHPG-UHFFFAOYSA-N -1 1 463.969 4.877 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)c2)cc1 ZINC000040019969 569814055 /nfs/dbraw/zinc/81/40/55/569814055.db2.gz QFJZLNFCJVDFPY-UHFFFAOYSA-N -1 1 466.346 4.637 50 0 JJAAMM CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102762344 569822353 /nfs/dbraw/zinc/82/23/53/569822353.db2.gz GSABNNPPGFSLPR-UBFVSLLYSA-N -1 1 458.514 4.535 50 0 JJAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)ccc1Br ZINC000045895121 569840076 /nfs/dbraw/zinc/84/00/76/569840076.db2.gz LLJLOSDHQNVEDF-UHFFFAOYSA-N -1 1 461.381 4.862 50 0 JJAAMM C[C@@H](CNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)c1ccccc1 ZINC000049421190 569846853 /nfs/dbraw/zinc/84/68/53/569846853.db2.gz ITTVGGUGVHSEDY-RXVVDRJESA-N -1 1 472.614 4.788 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCc4ccccc4F)C2)nc3=O)cc1 ZINC000049421283 569847081 /nfs/dbraw/zinc/84/70/81/569847081.db2.gz YYOSVYHMUYJCQJ-LJQANCHMSA-N -1 1 476.577 4.632 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NC4CCC(C)CC4)C2)nc3=O)cc1 ZINC000049421263 569847114 /nfs/dbraw/zinc/84/71/14/569847114.db2.gz NYRNKNYXHPFRKP-SKINQDTJSA-N -1 1 464.635 4.871 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCc4ccc(F)cc4F)CC2)nc3=O)c1 ZINC000049421380 569847296 /nfs/dbraw/zinc/84/72/96/569847296.db2.gz USYSTUHTYBVGRO-UHFFFAOYSA-N -1 1 494.567 4.771 50 0 JJAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)N[C@@H]4CCCC[C@@H]4C)C2)nc3=O)c1 ZINC000106496332 569854219 /nfs/dbraw/zinc/85/42/19/569854219.db2.gz RGOWBZZDWNCYJV-DJPFJPOOSA-N -1 1 480.634 4.572 50 0 JJAAMM O=C(N[C@H]1CCc2ccccc21)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000169763995 569872371 /nfs/dbraw/zinc/87/23/71/569872371.db2.gz QEGRXEFPECWKNB-KNQAVFIVSA-N -1 1 470.598 4.672 50 0 JJAAMM COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1Br ZINC000226897278 570039282 /nfs/dbraw/zinc/03/92/82/570039282.db2.gz QIFYGGOSVKHCEK-BHDDXSALSA-N -1 1 497.320 4.648 50 0 JJAAMM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1 ZINC000229800549 570041266 /nfs/dbraw/zinc/04/12/66/570041266.db2.gz JUSZSBMTAKZIPZ-JIMJEQGWSA-N -1 1 450.494 4.900 50 0 JJAAMM Cc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3[N-]S(=O)(=O)c3ccccc3)C2)o1 ZINC000252495066 570082156 /nfs/dbraw/zinc/08/21/56/570082156.db2.gz OMBLUUHAOWVGBA-JOCHJYFZSA-N -1 1 475.526 4.973 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccccc3OC)CC(=O)O4)c2=O)cc1OC ZINC000263586392 570171778 /nfs/dbraw/zinc/17/17/78/570171778.db2.gz UADYHORHXQRQJQ-INIZCTEOSA-N -1 1 474.465 4.632 50 0 JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccccc2OC)cc1OC ZINC000263586392 570171780 /nfs/dbraw/zinc/17/17/80/570171780.db2.gz UADYHORHXQRQJQ-INIZCTEOSA-N -1 1 474.465 4.632 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1Cl ZINC000001063830 194013196 /nfs/dbraw/zinc/01/31/96/194013196.db2.gz NAWXWXIMBJGGCU-UHFFFAOYSA-N -1 1 487.386 4.604 50 0 JJAAMM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1NC(=O)c1cccc(Br)c1 ZINC000001122058 194034310 /nfs/dbraw/zinc/03/43/10/194034310.db2.gz RRWRREFDTXEYEQ-UHFFFAOYSA-N -1 1 475.364 4.819 50 0 JJAAMM Cc1ccn2cc(-c3cccc([N-]S(=O)(=O)c4ccc(I)cc4)c3)nc2c1 ZINC000001123074 194034816 /nfs/dbraw/zinc/03/48/16/194034816.db2.gz NGZAPGUQRSBRPX-UHFFFAOYSA-N -1 1 489.338 4.715 50 0 JJAAMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000001154832 194052432 /nfs/dbraw/zinc/05/24/32/194052432.db2.gz HWLGLTNRHRRPOO-UHFFFAOYSA-N -1 1 450.438 4.767 50 0 JJAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000001196847 194067772 /nfs/dbraw/zinc/06/77/72/194067772.db2.gz USOCVHNJEDQQSH-UHFFFAOYSA-N -1 1 484.382 4.830 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c(Br)c2)cc1 ZINC000001208854 194070620 /nfs/dbraw/zinc/07/06/20/194070620.db2.gz VDNZOHLYFZZXKK-UHFFFAOYSA-N -1 1 464.337 4.914 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3)o2)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000001464505 194124279 /nfs/dbraw/zinc/12/42/79/194124279.db2.gz BYUUQPHVFHKFIX-OPYAIIAOSA-N -1 1 482.817 4.843 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3)ccc2N2CCCCC2)cc1 ZINC000003056439 194221306 /nfs/dbraw/zinc/22/13/06/194221306.db2.gz XUGWLRPFGKJYIV-UHFFFAOYSA-N -1 1 463.603 4.716 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCC(=O)c4cccs4)nc3c2)cc1 ZINC000003219965 194241921 /nfs/dbraw/zinc/24/19/21/194241921.db2.gz OTBSWLHHDXNTLZ-UHFFFAOYSA-N -1 1 460.558 4.674 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCC(=O)Nc4ccc(F)cc4)nc3c2)cc1 ZINC000003221849 194242648 /nfs/dbraw/zinc/24/26/48/194242648.db2.gz HUPIXOMUWHQYHU-UHFFFAOYSA-N -1 1 487.534 4.507 50 0 JJAAMM O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000003307022 194275207 /nfs/dbraw/zinc/27/52/07/194275207.db2.gz BIWOEPWBVSAJKY-UHFFFAOYSA-N -1 1 451.331 4.812 50 0 JJAAMM CCOC(=O)c1sc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1C ZINC000003296798 194270805 /nfs/dbraw/zinc/27/08/05/194270805.db2.gz MEWMFXOWMWCJND-UHFFFAOYSA-N -1 1 480.514 4.565 50 0 JJAAMM COc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c(OC)cc1Cl ZINC000003433581 194323165 /nfs/dbraw/zinc/32/31/65/194323165.db2.gz VVHZVAHEFUZNTQ-UHFFFAOYSA-N -1 1 464.902 4.549 50 0 JJAAMM O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000003441187 194325413 /nfs/dbraw/zinc/32/54/13/194325413.db2.gz DIZKQUKXMZUKBB-UHFFFAOYSA-N -1 1 452.429 4.575 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163830 194382038 /nfs/dbraw/zinc/38/20/38/194382038.db2.gz AMGPDIQQDTWGEK-DBXWQHBBSA-N -1 1 464.827 4.704 50 0 JJAAMM CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[n-]1)C(=O)Nc1ccccc1F ZINC000009909038 195019914 /nfs/dbraw/zinc/01/99/14/195019914.db2.gz ZNWWEKKHGMJCEQ-IBGZPJMESA-N -1 1 489.594 4.787 50 0 JJAAMM CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[n-]1)C(=O)Nc1ccc(C)cc1 ZINC000009909034 195020077 /nfs/dbraw/zinc/02/00/77/195020077.db2.gz JKDQXMZCGXJATI-HXUWFJFHSA-N -1 1 485.631 4.956 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cncc(Br)c3)c2)cc1C ZINC000012604527 195049628 /nfs/dbraw/zinc/04/96/28/195049628.db2.gz VKPVTBHFVGHPHV-UHFFFAOYSA-N -1 1 460.353 4.514 50 0 JJAAMM CC(=O)N[C@H](CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1)c1ccc(C)cc1 ZINC000012631215 195063584 /nfs/dbraw/zinc/06/35/84/195063584.db2.gz CJFCTDYJTSFAIE-RUZDIDTESA-N -1 1 479.602 4.619 50 0 JJAAMM O=C(CCc1c[nH]c2ccccc12)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC000012694407 195089597 /nfs/dbraw/zinc/08/95/97/195089597.db2.gz DYXFUHFJSQSVON-UHFFFAOYSA-N -1 1 469.950 4.899 50 0 JJAAMM CC(C)Oc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cc1 ZINC000012729548 195098223 /nfs/dbraw/zinc/09/82/23/195098223.db2.gz XMTPTKCEHUQZQU-UHFFFAOYSA-N -1 1 482.558 4.688 50 0 JJAAMM CC(C)[C@@H](NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1)c1ccccc1 ZINC000012764179 195112525 /nfs/dbraw/zinc/11/25/25/195112525.db2.gz JTILDNTVCBKSKV-ISKFKSNPSA-N -1 1 492.645 4.626 50 0 JJAAMM CCc1cccc(C)c1NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])cc1 ZINC000012780340 195124327 /nfs/dbraw/zinc/12/43/27/195124327.db2.gz SOTQELLRPCSOKF-OAQYLSRUSA-N -1 1 478.618 4.622 50 0 JJAAMM Cc1ccc(NC(=O)CCc2nc3ccccc3o2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000012786936 195128911 /nfs/dbraw/zinc/12/89/11/195128911.db2.gz QPBDDVTXURALPX-UHFFFAOYSA-N -1 1 453.495 4.647 50 0 JJAAMM CCOc1cc2c(cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc1)O[C@H](C)C2 ZINC000012788400 195129754 /nfs/dbraw/zinc/12/97/54/195129754.db2.gz NRSYGQAQKMRVMO-MRXNPFEDSA-N -1 1 484.549 4.530 50 0 JJAAMM COc1cc(CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2C)ccc1C ZINC000012817296 195147626 /nfs/dbraw/zinc/14/76/26/195147626.db2.gz DNTXYSRQPRWXJI-UHFFFAOYSA-N -1 1 458.967 4.947 50 0 JJAAMM CCOC(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000020895709 195239709 /nfs/dbraw/zinc/23/97/09/195239709.db2.gz CLUJKVRBABERIH-UHFFFAOYSA-N -1 1 473.938 4.962 50 0 JJAAMM O=C(c1noc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc21)N1CCCC1 ZINC000021364132 195299889 /nfs/dbraw/zinc/29/98/89/195299889.db2.gz DSBPNXPQMXQAID-UHFFFAOYSA-N -1 1 473.860 4.537 50 0 JJAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000058405956 195378845 /nfs/dbraw/zinc/37/88/45/195378845.db2.gz XXNSPUUOPFLPNG-UHFFFAOYSA-N -1 1 452.576 4.583 50 0 JJAAMM COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000021784415 195320957 /nfs/dbraw/zinc/32/09/57/195320957.db2.gz UORVDARJPUTTQS-HNNXBMFYSA-N -1 1 490.354 4.859 50 0 JJAAMM Cc1ccccc1NC(=O)CSc1nc(=O)c(Cc2ccccc2)c([O-])n1-c1ccccc1C ZINC000102873434 130345032 /nfs/dbraw/zinc/34/50/32/130345032.db2.gz VCOGFNXSQSQJSA-UHFFFAOYSA-N -1 1 471.582 4.877 50 0 JJAAMM CC(C)(C)c1[nH]n(-c2ccccc2)c(=O)c1[C@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000033678649 518601281 /nfs/dbraw/zinc/60/12/81/518601281.db2.gz HSTLTVPTRHBTCU-PKOBYXMFSA-N -1 1 471.351 4.788 50 0 JJAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2nn(Cc3ccccc3F)cc2Br)cc1 ZINC000020468835 519443444 /nfs/dbraw/zinc/44/34/44/519443444.db2.gz YVUKGURHEVSQJR-UHFFFAOYSA-N -1 1 466.376 4.832 50 0 JJAAMM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)s1 ZINC000033306435 519702266 /nfs/dbraw/zinc/70/22/66/519702266.db2.gz MXDBVTPWWGNEHM-VMPITWQZSA-N -1 1 451.957 4.936 50 0 JJAAMM CCNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1 ZINC000012507879 519900325 /nfs/dbraw/zinc/90/03/25/519900325.db2.gz JEOCEXWWSUAWPZ-UHFFFAOYSA-N -1 1 491.491 4.508 50 0 JJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1OC ZINC000086057357 520434176 /nfs/dbraw/zinc/43/41/76/520434176.db2.gz MEXBUPCRDFTHSN-MRXNPFEDSA-N -1 1 485.993 4.987 50 0 JJAAMM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(F)c(F)c4)ccc3n2C)cc1 ZINC000033277030 520547437 /nfs/dbraw/zinc/54/74/37/520547437.db2.gz SKJZFMPJDQGCLS-UHFFFAOYSA-N -1 1 498.555 4.801 50 0 JJAAMM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3n2C)cc1 ZINC000033277013 520547622 /nfs/dbraw/zinc/54/76/22/520547622.db2.gz VBOWNMPXPFAMND-UHFFFAOYSA-N -1 1 480.565 4.662 50 0 JJAAMM CC1(C)C[C@H](n2c3nnc([S-])n3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1 ZINC000006232510 520559061 /nfs/dbraw/zinc/55/90/61/520559061.db2.gz SDSOCAZDUZPPMI-QGZVFWFLSA-N -1 1 450.608 4.735 50 0 JJAAMM CCCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000033138647 520684179 /nfs/dbraw/zinc/68/41/79/520684179.db2.gz ITDNWAVQEAWYDX-UHFFFAOYSA-N -1 1 459.568 4.703 50 0 JJAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)cc1 ZINC000033115395 521216553 /nfs/dbraw/zinc/21/65/53/521216553.db2.gz KPOUVUWQGPIYBC-UHFFFAOYSA-N -1 1 483.634 4.707 50 0 JJAAMM CCCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000033122357 521339547 /nfs/dbraw/zinc/33/95/47/521339547.db2.gz ZBYGQWZZCSMGEO-UHFFFAOYSA-N -1 1 467.620 4.900 50 0 JJAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(C(=O)NC4CC4)cn3)cc2)cc1 ZINC000033138643 521411423 /nfs/dbraw/zinc/41/14/23/521411423.db2.gz WMEHQGICNARICN-UHFFFAOYSA-N -1 1 467.616 4.878 50 0 JJAAMM CC[C@@H](C)NC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000033138368 522217922 /nfs/dbraw/zinc/21/79/22/522217922.db2.gz CLNPHRWFNRBPMI-QGZVFWFLSA-N -1 1 455.605 4.870 50 0 JJAAMM COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000033292712 523214766 /nfs/dbraw/zinc/21/47/66/523214766.db2.gz XBCSOHKQCILIGK-UHFFFAOYSA-N -1 1 476.554 4.871 50 0 JJAAMM COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N-]S(=O)(=O)c3ccccc3C)cc21 ZINC000033292721 523217801 /nfs/dbraw/zinc/21/78/01/523217801.db2.gz LVGDVIFSFUOBRF-UHFFFAOYSA-N -1 1 476.554 4.871 50 0 JJAAMM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000033274715 523313653 /nfs/dbraw/zinc/31/36/53/523313653.db2.gz QKRUNICONFRFJL-UHFFFAOYSA-N -1 1 470.635 4.719 50 0 JJAAMM COc1ccc(Br)cc1CNCc1c(C)n(Cc2ccccc2)c(C)c1C(=O)[O-] ZINC000020413586 523500944 /nfs/dbraw/zinc/50/09/44/523500944.db2.gz GNWSKUBXTYRHMU-UHFFFAOYSA-N -1 1 457.368 4.912 50 0 JJAAMM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000033122286 523714684 /nfs/dbraw/zinc/71/46/84/523714684.db2.gz DADIIDSRMQVLDG-UHFFFAOYSA-N -1 1 459.984 4.601 50 0 JJAAMM CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)cc1 ZINC000049421140 523938131 /nfs/dbraw/zinc/93/81/31/523938131.db2.gz RFSQSWCXCZVDTL-OAQYLSRUSA-N -1 1 472.614 4.747 50 0 JJAAMM CC[C@H](C)NC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000033138350 523998796 /nfs/dbraw/zinc/99/87/96/523998796.db2.gz UOUQMZWTPUHQIU-HNNXBMFYSA-N -1 1 459.568 4.701 50 0 JJAAMM Cc1cccc(C(=O)Nc2ccc(N3CCN(CCOc4ccc(Cl)cc4)CC3)c(C(=O)[O-])c2)c1 ZINC000033078670 524217570 /nfs/dbraw/zinc/21/75/70/524217570.db2.gz FGPNFNXYRUEJFH-UHFFFAOYSA-N -1 1 493.991 4.800 50 0 JJAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)nc1[O-] ZINC000020134633 524600996 /nfs/dbraw/zinc/60/09/96/524600996.db2.gz RMWSCUYYDCXBHU-UPVQGACJSA-N -1 1 484.581 4.873 50 0 JJAAMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c(OC)c1 ZINC000016635826 524642887 /nfs/dbraw/zinc/64/28/87/524642887.db2.gz OIINRSVJTKHNLT-UHFFFAOYSA-N -1 1 491.363 4.519 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2C)cc1Cl ZINC000033170597 524685428 /nfs/dbraw/zinc/68/54/28/524685428.db2.gz AHXZTRGHANPBGV-CLFYSBASSA-N -1 1 475.954 4.883 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCc4cn5ccsc5n4)nc3c2)cc1 ZINC000006131561 524694670 /nfs/dbraw/zinc/69/46/70/524694670.db2.gz SCDQWGSIENHVFY-UHFFFAOYSA-N -1 1 472.573 4.639 50 0 JJAAMM COc1ccc(OCc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)no2)cc1 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/nfs/dbraw/zinc/34/96/45/525349645.db2.gz ZQACVHRFOLDUSJ-OAHLLOKOSA-N -1 1 482.949 4.682 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(CC[NH+]3CCCCC3)CC2)cc1C ZINC000033254084 525593727 /nfs/dbraw/zinc/59/37/27/525593727.db2.gz DBRTXDMMPGZZQS-UHFFFAOYSA-N -1 1 499.677 4.895 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(C(=O)NC(C)C)cn3)cc2)cc1C ZINC000033138326 525608203 /nfs/dbraw/zinc/60/82/03/525608203.db2.gz QXQFHCPCDODOOJ-UHFFFAOYSA-N -1 1 455.605 4.789 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(C(=O)NC4CCC4)cn3)cc2)cc1C ZINC000033138503 525609649 /nfs/dbraw/zinc/60/96/49/525609649.db2.gz AAPCTUNQXIWYBZ-UHFFFAOYSA-N -1 1 467.616 4.933 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(C(=O)NC4CC4)cn3)cc2)cc1C ZINC000033138632 525609663 /nfs/dbraw/zinc/60/96/63/525609663.db2.gz CQVXGGCKQWWNDU-UHFFFAOYSA-N -1 1 453.589 4.543 50 0 JJAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)N2CCCC[C@@H]2C)cc1 ZINC000012252595 525633950 /nfs/dbraw/zinc/63/39/50/525633950.db2.gz DYIXFRFANYOSNF-SFHVURJKSA-N -1 1 469.632 4.711 50 0 JJAAMM O=C(OCc1nc2ccccc2s1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000016687015 526431690 /nfs/dbraw/zinc/43/16/90/526431690.db2.gz GSYAVOGRFPGZSA-UHFFFAOYSA-N -1 1 496.566 4.615 50 0 JJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000008610243 527246134 /nfs/dbraw/zinc/24/61/34/527246134.db2.gz NLTOTXGRLOTCAI-UHFFFAOYSA-N -1 1 478.496 4.833 50 0 JJAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4ccc(F)cc4)no3)c2)cc1)c1cccc(F)c1 ZINC000033254919 527247860 /nfs/dbraw/zinc/24/78/60/527247860.db2.gz XNVPISNNAKFWDS-UHFFFAOYSA-N -1 1 493.495 4.727 50 0 JJAAMM O=S(=O)([N-]c1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl)c1ccc(F)c(F)c1 ZINC000020435949 527260015 /nfs/dbraw/zinc/26/00/15/527260015.db2.gz QWLHXPOSYKMTST-UHFFFAOYSA-N -1 1 452.697 4.971 50 0 JJAAMM Cn1ccnc1[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000016261911 527464470 /nfs/dbraw/zinc/46/44/70/527464470.db2.gz QMYFQDNFKPEHJA-JOCHJYFZSA-N -1 1 498.967 4.533 50 0 JJAAMM O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421132 527624382 /nfs/dbraw/zinc/62/43/82/527624382.db2.gz UWJYLYAFBYNAAD-FQEVSTJZSA-N -1 1 462.619 4.875 50 0 JJAAMM CCCn1c(C(=O)NCCc2ccccn2)cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000096278809 535584527 /nfs/dbraw/zinc/58/45/27/535584527.db2.gz RSJDGHQTGIEFDB-UHFFFAOYSA-N -1 1 497.020 4.873 50 0 JJAAMM CCCn1c(C(=O)NCc2ccncc2)cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000096276399 535584638 /nfs/dbraw/zinc/58/46/38/535584638.db2.gz AAKJDVUGWQJBMC-UHFFFAOYSA-N -1 1 482.993 4.831 50 0 JJAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)c1 ZINC000000631100 553717779 /nfs/dbraw/zinc/71/77/79/553717779.db2.gz XNDYHXIAIIESRR-UHFFFAOYSA-N -1 1 479.327 4.650 50 0 JJAAMM Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000000674000 553747297 /nfs/dbraw/zinc/74/72/97/553747297.db2.gz CRBGFGPNWWTKLI-UHFFFAOYSA-N -1 1 492.338 4.653 50 0 JJAAMM O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000000673921 553747312 /nfs/dbraw/zinc/74/73/12/553747312.db2.gz HBAZLEWXCAGMKX-UHFFFAOYSA-N -1 1 493.326 4.736 50 0 JJAAMM Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000000855891 553800287 /nfs/dbraw/zinc/80/02/87/553800287.db2.gz PTOUGKCUJCUFRO-UHFFFAOYSA-N -1 1 463.328 4.950 50 0 JJAAMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000001167169 553920759 /nfs/dbraw/zinc/92/07/59/553920759.db2.gz XTBKHRHWEZHXFS-UHFFFAOYSA-N -1 1 450.969 4.558 50 0 JJAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)Nc1ccc(Br)cc1 ZINC000002111097 554049927 /nfs/dbraw/zinc/04/99/27/554049927.db2.gz WHMLTTKUXSPHKB-UHFFFAOYSA-N -1 1 466.287 4.946 50 0 biogenic JJAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc(Br)cc1 ZINC000002111097 554049928 /nfs/dbraw/zinc/04/99/28/554049928.db2.gz WHMLTTKUXSPHKB-UHFFFAOYSA-N -1 1 466.287 4.946 50 0 biogenic JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn(C)c(=O)c4ccccc43)ccc2N2CCCCC2)cc1 ZINC000002226147 554103474 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1 478.618 4.875 50 0 JJAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)c2)s1 ZINC000024905443 556162823 /nfs/dbraw/zinc/16/28/23/556162823.db2.gz BVKPROATLNJSSI-UPVQGACJSA-N -1 1 492.645 4.545 50 0 JJAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)c2)s1 ZINC000024905434 556162834 /nfs/dbraw/zinc/16/28/34/556162834.db2.gz BVKPROATLNJSSI-VWNXMTODSA-N -1 1 492.645 4.545 50 0 JJAAMM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000012994358 556186730 /nfs/dbraw/zinc/18/67/30/556186730.db2.gz VTXAJUWYDZPGKJ-DEOSSOPVSA-N -1 1 493.560 4.838 50 0 JJAAMM Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)n1 ZINC000017011702 556201421 /nfs/dbraw/zinc/20/14/21/556201421.db2.gz WZTGHUWVHXOAHN-UHFFFAOYSA-N -1 1 494.342 4.503 50 0 JJAAMM Cc1cc(NC(=O)CCCc2ccccc2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)n1 ZINC000017011690 556201426 /nfs/dbraw/zinc/20/14/26/556201426.db2.gz RDFATNREQCUMEH-UHFFFAOYSA-N -1 1 487.951 4.630 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3cccs3)c2)cc1 ZINC000025258218 556206545 /nfs/dbraw/zinc/20/65/45/556206545.db2.gz GFFDUPWEVNOUJH-UHFFFAOYSA-N -1 1 450.969 4.531 50 0 JJAAMM Cc1ccc(S(=O)(=O)N2CCCc3ccc([N-]S(=O)(=O)c4cccc(Cl)c4)cc32)cc1 ZINC000017050682 556211382 /nfs/dbraw/zinc/21/13/82/556211382.db2.gz FEOIWFYJGRZPCB-UHFFFAOYSA-N -1 1 477.007 4.591 50 0 JJAAMM Cc1ccccc1-n1c2nc(SCC(=O)Nc3cc(F)ccc3F)[n-]c(=O)c2sc1=S ZINC000017143750 556225355 /nfs/dbraw/zinc/22/53/55/556225355.db2.gz PIYZXGZCRVMYMI-UHFFFAOYSA-N -1 1 476.555 4.822 50 0 JJAAMM CC(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1 ZINC000013070279 556267385 /nfs/dbraw/zinc/26/73/85/556267385.db2.gz OHZWHPYKURHZHX-UHFFFAOYSA-N -1 1 477.464 4.717 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(C)cc3)c2)cc1 ZINC000018081760 556284878 /nfs/dbraw/zinc/28/48/78/556284878.db2.gz MOGDDSJRNZVEPM-UHFFFAOYSA-N -1 1 458.967 4.778 50 0 JJAAMM COc1ccc(Br)c(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cccc(C)c2)c1 ZINC000027527627 556288882 /nfs/dbraw/zinc/28/88/82/556288882.db2.gz WZVWKTYHUXCZNY-UHFFFAOYSA-N -1 1 464.319 4.527 50 0 JJAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3c(C(=O)OC)c(COC)oc3c3ccccc23)cc1 ZINC000027569516 556297866 /nfs/dbraw/zinc/29/78/66/556297866.db2.gz JJKHHDVHCNBWPS-UHFFFAOYSA-N -1 1 453.516 4.882 50 0 JJAAMM COc1ccc2nc(Sc3ccc(Cl)cc3)c(C=C3C(=O)[N-]C(=S)N3C(C)=O)cc2c1 ZINC000031839366 556408843 /nfs/dbraw/zinc/40/88/43/556408843.db2.gz JTLZFXYRUAREDA-ODLFYWEKSA-N -1 1 469.975 4.652 50 0 JJAAMM Cc1ccccc1-n1c2nc(SCC(=O)Nc3cccc(F)c3)[n-]c(=O)c2sc1=S ZINC000032948477 556563999 /nfs/dbraw/zinc/56/39/99/556563999.db2.gz XXHYTJBGVSZWRV-UHFFFAOYSA-N -1 1 458.565 4.683 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(COc4ccc(Cl)c(C)c4)nc3c2)cc1 ZINC000006181567 562937050 /nfs/dbraw/zinc/93/70/50/562937050.db2.gz SOHTYJFNHNGNFP-UHFFFAOYSA-N -1 1 457.939 4.913 50 0 JJAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCCOc3cc(C)ccc3C(C)C)n2)cc1 ZINC000008673339 562950137 /nfs/dbraw/zinc/95/01/37/562950137.db2.gz YPGNYKFXSVSKRP-UHFFFAOYSA-N -1 1 450.564 4.696 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)[n-]c2=O)cc1 ZINC000064591968 569622132 /nfs/dbraw/zinc/62/21/32/569622132.db2.gz HPDFJGLUBVGDSV-UHFFFAOYSA-N -1 1 492.022 4.742 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N[C@H]4CCCC[C@@H]4C)CC2)nc3=O)c1 ZINC000064611795 569623043 /nfs/dbraw/zinc/62/30/43/569623043.db2.gz HXCUKKRRQJWQDS-UWJYYQICSA-N -1 1 464.635 4.871 50 0 JJAAMM Cc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)cc1Cl ZINC000033331756 569624543 /nfs/dbraw/zinc/62/45/43/569624543.db2.gz SPOKRKRLRQDEMB-UHFFFAOYSA-N -1 1 472.973 4.572 50 0 JJAAMM COc1cc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc(OC)c1OC ZINC000064747792 569626186 /nfs/dbraw/zinc/62/61/86/569626186.db2.gz BJFLYFYBXSCCNA-UHFFFAOYSA-N -1 1 481.530 4.539 50 0 JJAAMM CCN(Cc1ccccc1)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000064843572 569638105 /nfs/dbraw/zinc/63/81/05/569638105.db2.gz HEOUFGCVJCDDHC-UHFFFAOYSA-N -1 1 480.373 4.914 50 0 JJAAMM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC(Cc3ccccc3)CC2)cc1C ZINC000064843575 569638196 /nfs/dbraw/zinc/63/81/96/569638196.db2.gz WQXPOCDERGFSAE-UHFFFAOYSA-N -1 1 493.629 4.965 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(C)n2C)sc1C(=O)N1CCCCCC1 ZINC000065036279 569653222 /nfs/dbraw/zinc/65/32/22/569653222.db2.gz TURMFHKYNKLLNO-UHFFFAOYSA-N -1 1 490.626 4.722 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3)c(C)n2C)sc1C(=O)N1CCCCCC1 ZINC000065036352 569653315 /nfs/dbraw/zinc/65/33/15/569653315.db2.gz WPBVJMIVDJPDFS-UHFFFAOYSA-N -1 1 472.636 4.582 50 0 JJAAMM COc1cccc(CN2CCCN(c3ccc(C)cc3[N-]S(=O)(=O)c3ccc(C)cc3)C2=O)c1 ZINC000034737768 569654516 /nfs/dbraw/zinc/65/45/16/569654516.db2.gz ITPCBRAFXOJSAP-UHFFFAOYSA-N -1 1 479.602 4.945 50 0 JJAAMM CC[C@H](C)NC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000065063598 569657051 /nfs/dbraw/zinc/65/70/51/569657051.db2.gz HOITVQQKMQJUAJ-HNNXBMFYSA-N -1 1 459.955 4.856 50 0 JJAAMM Cc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4cccc(Cl)c4)cc3)nc3ccccc3n12 ZINC000065096438 569660836 /nfs/dbraw/zinc/66/08/36/569660836.db2.gz OVJLCVXQUIGOBU-UHFFFAOYSA-N -1 1 465.922 4.832 50 0 JJAAMM O=S(=O)([N-]CCc1nc(-c2ccncc2)cs1)c1c(Cl)cc(Br)cc1Cl ZINC000078729590 569706553 /nfs/dbraw/zinc/70/65/53/569706553.db2.gz GCTKDTSQWKDORI-UHFFFAOYSA-N -1 1 493.235 4.795 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cccc(OC)c3OC)CC(=O)O4)c2=O)cc1 ZINC000085878234 569716099 /nfs/dbraw/zinc/71/60/99/569716099.db2.gz KKBNUCMIKKFSOZ-QGZVFWFLSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cccc(OC)c2OC)cc1 ZINC000085878234 569716101 /nfs/dbraw/zinc/71/61/01/569716101.db2.gz KKBNUCMIKKFSOZ-QGZVFWFLSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(OC)cc3OC)CC(=O)O4)c2=O)cc1 ZINC000085878132 569716149 /nfs/dbraw/zinc/71/61/49/569716149.db2.gz PVHLYQUJYWJHOX-SFHVURJKSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OC)cc2OC)cc1 ZINC000085878132 569716150 /nfs/dbraw/zinc/71/61/50/569716150.db2.gz PVHLYQUJYWJHOX-SFHVURJKSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057204 569717134 /nfs/dbraw/zinc/71/71/34/569717134.db2.gz MTTYGXFJICOXMW-GOSISDBHSA-N -1 1 465.575 4.641 50 0 JJAAMM CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1OCC ZINC000086057294 569717161 /nfs/dbraw/zinc/71/71/61/569717161.db2.gz SNKGUDPKZBFIFO-SFHVURJKSA-N -1 1 465.575 4.642 50 0 JJAAMM CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)ccc1OC ZINC000086057494 569717291 /nfs/dbraw/zinc/71/72/91/569717291.db2.gz TZQMBJFZMLXLLT-MRXNPFEDSA-N -1 1 471.966 4.597 50 0 JJAAMM CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)ccc1OC ZINC000086057491 569717299 /nfs/dbraw/zinc/71/72/99/569717299.db2.gz TZQMBJFZMLXLLT-INIZCTEOSA-N -1 1 471.966 4.597 50 0 JJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1OC ZINC000086057541 569717461 /nfs/dbraw/zinc/71/74/61/569717461.db2.gz IKYWVPLXBIHLRF-QGZVFWFLSA-N -1 1 485.993 4.987 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccc(F)cc3)ccc2N2CCCCC2)cc1 ZINC000089453566 569718377 /nfs/dbraw/zinc/71/83/77/569718377.db2.gz WUIBVVBCHATOBQ-UHFFFAOYSA-N -1 1 497.592 4.807 50 0 JJAAMM CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)[N-]C(=O)c1ccc(Cl)cc1 ZINC000089821187 569720006 /nfs/dbraw/zinc/72/00/06/569720006.db2.gz MVPKPLAYYCQODU-UHFFFAOYSA-N -1 1 472.998 4.605 50 0 JJAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c(OC)c1OC ZINC000096115178 569734189 /nfs/dbraw/zinc/73/41/89/569734189.db2.gz BHIKRVFJIGDZEN-MRXNPFEDSA-N -1 1 474.465 4.632 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 ZINC000096115775 569734723 /nfs/dbraw/zinc/73/47/23/569734723.db2.gz NQWRHWZFTFXGTK-CYBMUJFWSA-N -1 1 454.356 4.730 50 0 biogenic JJAAMM O=C1C[C@@H](c2cccc(OC(F)F)c2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096116323 569735271 /nfs/dbraw/zinc/73/52/71/569735271.db2.gz AMPFIRCIUBCPFS-INIZCTEOSA-N -1 1 466.392 4.914 50 0 biogenic JJAAMM O=C1C[C@@H](c2cccc(OC(F)F)c2)c2c(cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc2-3)O1 ZINC000096116323 569735273 /nfs/dbraw/zinc/73/52/73/569735273.db2.gz AMPFIRCIUBCPFS-INIZCTEOSA-N -1 1 466.392 4.914 50 0 biogenic JJAAMM O=C1N[C@H](c2cccc(Oc3ccccc3)c2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100736567 569768279 /nfs/dbraw/zinc/76/82/79/569768279.db2.gz MPMCDMABJOFCCS-MIZPHKNDSA-N -1 1 474.410 4.722 50 0 JJAAMM Cc1ccc(N2N=C(C(=O)c3ccccc3)[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C32)cc1 ZINC000100893405 569774551 /nfs/dbraw/zinc/77/45/51/569774551.db2.gz QKUJSRDZUJTHIE-GMAHTHKFSA-N -1 1 457.917 4.574 50 0 JJAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)c(OC)c1 ZINC000101494742 569799864 /nfs/dbraw/zinc/79/98/64/569799864.db2.gz ZZJZFUKPIXOZBU-SFHVURJKSA-N -1 1 455.561 4.524 50 0 JJAAMM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)n1Cc1ccccc1 ZINC000101494814 569800102 /nfs/dbraw/zinc/80/01/02/569800102.db2.gz MYTGIYXZBKMSGF-QFIPXVFZSA-N -1 1 455.539 4.648 50 0 JJAAMM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)n1Cc1ccccc1 ZINC000101494816 569800160 /nfs/dbraw/zinc/80/01/60/569800160.db2.gz MYTGIYXZBKMSGF-JOCHJYFZSA-N -1 1 455.539 4.648 50 0 JJAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1OC ZINC000101495524 569800458 /nfs/dbraw/zinc/80/04/58/569800458.db2.gz PUPXBROTWRPGTD-SFHVURJKSA-N -1 1 455.561 4.524 50 0 JJAAMM COc1ccc(OC)c([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)c1 ZINC000101495601 569800747 /nfs/dbraw/zinc/80/07/47/569800747.db2.gz KLGZDGODXLWTOY-SFHVURJKSA-N -1 1 455.561 4.524 50 0 JJAAMM Cc1nc2[n-]c(N(Cc3ccccc3)C(=O)CC(C)C)nn2c(=O)c1Cc1ccccc1Cl ZINC000101861513 569806518 /nfs/dbraw/zinc/80/65/18/569806518.db2.gz SANGLYIFQOFMHL-UHFFFAOYSA-N -1 1 463.969 4.550 50 0 JJAAMM Cc1nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3cccs3)nn2c(=O)c1Cc1ccccc1 ZINC000101878266 569806675 /nfs/dbraw/zinc/80/66/75/569806675.db2.gz YJINTRRWDRNOPP-UHFFFAOYSA-N -1 1 489.988 4.879 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000101879995 569807007 /nfs/dbraw/zinc/80/70/07/569807007.db2.gz YETGESCXGPLKLI-WAOWUJCRSA-N -1 1 482.817 4.843 50 0 JJAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102745189 569819713 /nfs/dbraw/zinc/81/97/13/569819713.db2.gz JPEMRARTJNKTAG-TWJOJJKGSA-N -1 1 472.541 4.925 50 0 JJAAMM CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000040160799 569822698 /nfs/dbraw/zinc/82/26/98/569822698.db2.gz JOAQPYDUXHEBEL-UHFFFAOYSA-N -1 1 450.894 4.691 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3)o2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000103174007 569833639 /nfs/dbraw/zinc/83/36/39/569833639.db2.gz BYUUQPHVFHKFIX-WAOWUJCRSA-N -1 1 482.817 4.843 50 0 JJAAMM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000045900683 569840238 /nfs/dbraw/zinc/84/02/38/569840238.db2.gz PJHDYQRMMWJQMX-UHFFFAOYSA-N -1 1 451.592 4.802 50 0 JJAAMM O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421224 569846945 /nfs/dbraw/zinc/84/69/45/569846945.db2.gz NFRXRJNVNUWOKL-FQEVSTJZSA-N -1 1 497.624 4.708 50 0 JJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCCc4cccs4)C2)nc3=O)cc1 ZINC000049421302 569847137 /nfs/dbraw/zinc/84/71/37/569847137.db2.gz YMEGCQMLIJYYPD-SFHVURJKSA-N -1 1 478.643 4.597 50 0 JJAAMM COc1ccccc1CNC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)CC1 ZINC000049421376 569847203 /nfs/dbraw/zinc/84/72/03/569847203.db2.gz ZYESKJDMADYDEE-UHFFFAOYSA-N -1 1 488.613 4.501 50 0 JJAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@@H](C(=O)NC3CCCCC3)C1)nc2=O ZINC000049421422 569847436 /nfs/dbraw/zinc/84/74/36/569847436.db2.gz PZAMGRNYMLTXGS-QGZVFWFLSA-N -1 1 450.608 4.625 50 0 JJAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000137831179 569865341 /nfs/dbraw/zinc/86/53/41/569865341.db2.gz JPEMRARTJNKTAG-JIMJEQGWSA-N -1 1 472.541 4.925 50 0 JJAAMM COc1ccc(O)c(C(C)N=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])c1 ZINC000252510596 570082699 /nfs/dbraw/zinc/08/26/99/570082699.db2.gz ANSOKOFPRSQFRQ-UHFFFAOYSA-N -1 1 490.925 4.599 50 0 JJAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000253412679 570097974 /nfs/dbraw/zinc/09/79/74/570097974.db2.gz RSEMBESAIMMONN-HNNXBMFYSA-N -1 1 462.841 4.989 50 0 JJAAMM COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000253413981 570098372 /nfs/dbraw/zinc/09/83/72/570098372.db2.gz WDFMQHNQYIRVIB-IBGZPJMESA-N -1 1 480.948 4.640 50 0 JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(O)c(Cl)c2)cc1OC ZINC000263585759 570171362 /nfs/dbraw/zinc/17/13/62/570171362.db2.gz MDQAVLNSRPXICA-AWEZNQCLSA-N -1 1 494.883 4.983 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc5nccnc5c3)CC(=O)O4)c2=O)cc1OC ZINC000263585928 570171494 /nfs/dbraw/zinc/17/14/94/570171494.db2.gz NXWVXTDMHFGVPE-MRXNPFEDSA-N -1 1 496.475 4.567 50 0 JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc3nccnc3c2)cc1OC ZINC000263585928 570171495 /nfs/dbraw/zinc/17/14/95/570171495.db2.gz NXWVXTDMHFGVPE-MRXNPFEDSA-N -1 1 496.475 4.567 50 0 JJAAMM Cc1ccc(S(=O)(=O)c2c(NC(=O)C=Cc3ccccc3)[n-]c3nc4ccccc4nc32)cc1 ZINC000334158198 570184172 /nfs/dbraw/zinc/18/41/72/570184172.db2.gz XQYJHWFLTRZTTN-DTQAZKPQSA-N -1 1 468.538 4.856 50 0 JJAAMM O=C1CC2(CCCC2)C(=O)N1c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000001048473 194009317 /nfs/dbraw/zinc/00/93/17/194009317.db2.gz FFOGERRNLGRVQE-UHFFFAOYSA-N -1 1 486.899 4.983 50 0 JJAAMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000001096327 194023325 /nfs/dbraw/zinc/02/33/25/194023325.db2.gz XGAPIBQUCNIIJE-UHFFFAOYSA-N -1 1 471.387 4.903 50 0 JJAAMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000001116425 194030180 /nfs/dbraw/zinc/03/01/80/194030180.db2.gz BFRUVQKKRZYOAY-UHFFFAOYSA-N -1 1 482.583 4.840 50 0 JJAAMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001138412 194043285 /nfs/dbraw/zinc/04/32/85/194043285.db2.gz MTJYCMIWJGSAKH-UHFFFAOYSA-N -1 1 471.387 4.903 50 0 JJAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C[C@H](C(C)(C)C)CC5)cc2oc1=O ZINC000001320762 194084304 /nfs/dbraw/zinc/08/43/04/194084304.db2.gz BVSVRPGATWBXBQ-CQSZACIVSA-N -1 1 454.548 4.830 50 0 JJAAMM COC(=O)c1ccccc1Oc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000001390727 194114066 /nfs/dbraw/zinc/11/40/66/194114066.db2.gz TZCGERPABPSYPF-UHFFFAOYSA-N -1 1 462.321 4.829 50 0 JJAAMM Cc1cc(-n2c(=S)sc3c2nc(SCC(=O)Nc2nccs2)[n-]c3=O)ccc1Cl ZINC000003034118 194213890 /nfs/dbraw/zinc/21/38/90/194213890.db2.gz DCDLBEUPUDDHGD-UHFFFAOYSA-N -1 1 482.037 4.654 50 0 JJAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCc2ccccc2C1 ZINC000003215101 194240395 /nfs/dbraw/zinc/24/03/95/194240395.db2.gz YFSAZQBNUDWRIV-UHFFFAOYSA-N -1 1 460.477 4.705 50 0 JJAAMM COc1ccccc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000003435226 194323999 /nfs/dbraw/zinc/32/39/99/194323999.db2.gz UEHVEXHVKIEWPR-UHFFFAOYSA-N -1 1 489.391 4.531 50 0 JJAAMM CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000004522172 194391536 /nfs/dbraw/zinc/39/15/36/194391536.db2.gz HMWFXNRUEXVMTA-LJQANCHMSA-N -1 1 480.586 4.851 50 0 JJAAMM COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C2CC2)cc1 ZINC000009083355 194522779 /nfs/dbraw/zinc/52/27/79/194522779.db2.gz KSMWNWYYDBXLKD-UHFFFAOYSA-N -1 1 450.560 4.609 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3OC)ccc2N2CCCCC2)cc1 ZINC000009097245 194529449 /nfs/dbraw/zinc/52/94/49/194529449.db2.gz DZLYOGSLLSXPAU-UHFFFAOYSA-N -1 1 495.601 4.747 50 0 JJAAMM CCOC(=O)c1c([O-])c(Cc2c(O)c(C(=O)OCC)c(O)c3ccccc32)c2ccccc2c1O ZINC000009870194 195005793 /nfs/dbraw/zinc/00/57/93/195005793.db2.gz IAVYVTWPDRAKRQ-UHFFFAOYSA-N -1 1 476.481 4.760 50 0 JJAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000012604916 195050032 /nfs/dbraw/zinc/05/00/32/195050032.db2.gz NBEZYNCLKSUGTE-UHFFFAOYSA-N -1 1 466.456 4.504 50 0 JJAAMM Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000012605360 195050532 /nfs/dbraw/zinc/05/05/32/195050532.db2.gz JBKNWRPGZHOHDW-UHFFFAOYSA-N -1 1 470.494 4.615 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)c2)cc1 ZINC000012605492 195051021 /nfs/dbraw/zinc/05/10/21/195051021.db2.gz KVOARTHUCQCRIX-MRXNPFEDSA-N -1 1 481.599 4.939 50 0 JJAAMM C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1Br ZINC000012630287 195062378 /nfs/dbraw/zinc/06/23/78/195062378.db2.gz PTRMLGDXBVTVIA-HNNXBMFYSA-N -1 1 491.382 4.809 50 0 JJAAMM CCc1cccc(C)c1NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])cc1 ZINC000012780335 195124253 /nfs/dbraw/zinc/12/42/53/195124253.db2.gz SOTQELLRPCSOKF-NRFANRHFSA-N -1 1 478.618 4.622 50 0 JJAAMM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000020716340 195205933 /nfs/dbraw/zinc/20/59/33/195205933.db2.gz MOJDTBMUFXALKI-VWLOTQADSA-N -1 1 470.504 4.935 50 0 JJAAMM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000013514076 518202624 /nfs/dbraw/zinc/20/26/24/518202624.db2.gz VGXXSSLSPZIDOU-DNVJHFABSA-N -1 1 455.901 4.939 50 0 JJAAMM CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)[N-]c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)cc21 ZINC000033106136 519635804 /nfs/dbraw/zinc/63/58/04/519635804.db2.gz MAOQHVJJFMNZJG-HNNXBMFYSA-N -1 1 479.533 4.909 50 0 JJAAMM CC(=O)Nc1ccc(Cc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)no2)cc1 ZINC000033276486 519718262 /nfs/dbraw/zinc/71/82/62/519718262.db2.gz CVRCVLBIJLCHEW-UHFFFAOYSA-N -1 1 482.949 4.740 50 0 JJAAMM CC(C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000065059699 519718557 /nfs/dbraw/zinc/71/85/57/519718557.db2.gz YOTDAOHFCFZSJJ-UHFFFAOYSA-N -1 1 490.379 4.575 50 0 JJAAMM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000012485121 520351857 /nfs/dbraw/zinc/35/18/57/520351857.db2.gz UPZKWXIHEAPZDQ-UHFFFAOYSA-N -1 1 478.405 4.710 50 0 JJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)cc1OC ZINC000086057454 520434222 /nfs/dbraw/zinc/43/42/22/520434222.db2.gz REKWORXLRCMSDR-QGZVFWFLSA-N -1 1 485.993 4.987 50 0 JJAAMM CCCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc2)nc1 ZINC000033138665 520684319 /nfs/dbraw/zinc/68/43/19/520684319.db2.gz DLEXAROIOGAZOB-UHFFFAOYSA-N -1 1 471.604 4.572 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)cc1 ZINC000002648001 521209876 /nfs/dbraw/zinc/20/98/76/521209876.db2.gz WVRWDOZOCXDGIS-UHFFFAOYSA-N -1 1 458.967 4.512 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1F ZINC000021755559 521211259 /nfs/dbraw/zinc/21/12/59/521211259.db2.gz WFBJDZMEDANYJO-UHFFFAOYSA-N -1 1 454.523 4.618 50 0 JJAAMM CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1OC ZINC000020463957 521271079 /nfs/dbraw/zinc/27/10/79/521271079.db2.gz TWEIJWLVGNSRPB-QGZVFWFLSA-N -1 1 451.548 4.664 50 0 JJAAMM CCCc1cc(=O)[n-]c(SCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)n1 ZINC000016045660 521343461 /nfs/dbraw/zinc/34/34/61/521343461.db2.gz PDZTWMJSMLOAPN-HXUWFJFHSA-N -1 1 478.039 4.578 50 0 JJAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(C(=O)NCCCOC)cn3)cc2)cc1 ZINC000033138609 521411642 /nfs/dbraw/zinc/41/16/42/521411642.db2.gz LBWLOUMNIXEHBZ-UHFFFAOYSA-N -1 1 499.658 4.752 50 0 JJAAMM CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)ccc3n2C)cc1 ZINC000033276997 521796087 /nfs/dbraw/zinc/79/60/87/521796087.db2.gz IOHHKJIOWXGXOP-UHFFFAOYSA-N -1 1 462.575 4.524 50 0 JJAAMM COc1cc(-c2nc(CSc3nc(-c4ccncc4)cc(=O)[n-]3)c(C)o2)cc(OC)c1OC ZINC000016840820 521903797 /nfs/dbraw/zinc/90/37/97/521903797.db2.gz NYIOUIVCQUBHJL-UHFFFAOYSA-N -1 1 466.519 4.526 50 0 JJAAMM COC(=O)c1ccc(NC(=O)CSc2nc(-c3sc(-c4ccccc4)nc3C)cc(=O)[n-]2)cc1 ZINC000033170098 522095659 /nfs/dbraw/zinc/09/56/59/522095659.db2.gz WFCBBNASSUMZNR-UHFFFAOYSA-N -1 1 492.582 4.799 50 0 JJAAMM CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c1)NC(=O)CCC2=O ZINC000033276635 522703579 /nfs/dbraw/zinc/70/35/79/522703579.db2.gz IWWVSWLLIPUNJS-UHFFFAOYSA-N -1 1 486.981 4.556 50 0 JJAAMM CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c1)NC(=O)CCC2=O ZINC000033276634 522707190 /nfs/dbraw/zinc/70/71/90/522707190.db2.gz DXHIWEJLYWEXKY-UHFFFAOYSA-N -1 1 486.981 4.556 50 0 JJAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(F)c(Br)c4)no3)n2)cc1 ZINC000048985683 523088883 /nfs/dbraw/zinc/08/88/83/523088883.db2.gz XPDNLVNQCLOFFV-UHFFFAOYSA-N -1 1 489.326 4.689 50 0 JJAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4cccc(Br)c4)no3)n2)cc1 ZINC000048985667 523090318 /nfs/dbraw/zinc/09/03/18/523090318.db2.gz DDSQEOGQRHHSBH-UHFFFAOYSA-N -1 1 471.336 4.550 50 0 JJAAMM COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000021784420 523508941 /nfs/dbraw/zinc/50/89/41/523508941.db2.gz FCMGCMSWUUFZKY-AWEZNQCLSA-N -1 1 490.354 4.859 50 0 JJAAMM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000033122294 523712076 /nfs/dbraw/zinc/71/20/76/523712076.db2.gz MGJMHOULVAQBLY-UHFFFAOYSA-N -1 1 453.593 4.564 50 0 JJAAMM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000033122290 523714282 /nfs/dbraw/zinc/71/42/82/523714282.db2.gz YGTKGJSRTMJSLI-UHFFFAOYSA-N -1 1 479.631 4.826 50 0 JJAAMM CCc1ccc(CNC(=O)C2CCN(c3nc(=O)c4scc(-c5ccccc5F)c4[n-]3)CC2)cc1 ZINC000049421067 523932345 /nfs/dbraw/zinc/93/23/45/523932345.db2.gz BUZXXVLPBVZYRJ-UHFFFAOYSA-N -1 1 490.604 4.886 50 0 JJAAMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(CC[NH+]3CCCCC3)CC2)cc1 ZINC000033254085 524016264 /nfs/dbraw/zinc/01/62/64/524016264.db2.gz LSWGYFODJZOVDT-UHFFFAOYSA-N -1 1 499.677 4.840 50 0 JJAAMM C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421057 524134476 /nfs/dbraw/zinc/13/44/76/524134476.db2.gz JSQQWZJVZYPCFF-QRWLVFNGSA-N -1 1 468.598 4.702 50 0 JJAAMM C[C@H](CNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1)c1ccccc1 ZINC000049421085 524374146 /nfs/dbraw/zinc/37/41/46/524374146.db2.gz LSCMAINIMRYCDQ-QGZVFWFLSA-N -1 1 490.604 4.927 50 0 JJAAMM C[C@H](NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)c1ccccc1 ZINC000049421180 525173386 /nfs/dbraw/zinc/17/33/86/525173386.db2.gz WEMJKTWQANYJAO-PXNSSMCTSA-N -1 1 458.587 4.745 50 0 JJAAMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1Br ZINC000021784436 525237246 /nfs/dbraw/zinc/23/72/46/525237246.db2.gz FSMRDRNFESCWTJ-AWEZNQCLSA-N -1 1 472.364 4.720 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000016261953 525270567 /nfs/dbraw/zinc/27/05/67/525270567.db2.gz LALSLAYXGXPCPX-HSZRJFAPSA-N -1 1 495.004 4.702 50 0 JJAAMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1Br ZINC000021784438 525403161 /nfs/dbraw/zinc/40/31/61/525403161.db2.gz FSMRDRNFESCWTJ-CQSZACIVSA-N -1 1 472.364 4.720 50 0 JJAAMM Cc1ccc([C@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(=O)c2ccco2)o1 ZINC000046085283 525986993 /nfs/dbraw/zinc/98/69/93/525986993.db2.gz JDAHDKDNKRCAGU-JOCHJYFZSA-N -1 1 475.526 4.973 50 0 JJAAMM COc1cccc(CNCc2c(C)n(Cc3ccc(F)cc3Cl)c(C)c2C(=O)[O-])c1OC ZINC000008611061 526023310 /nfs/dbraw/zinc/02/33/10/526023310.db2.gz BLIYEWQNORXBOX-UHFFFAOYSA-N -1 1 460.933 4.951 50 0 JJAAMM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000033169115 526055429 /nfs/dbraw/zinc/05/54/29/526055429.db2.gz AIVVHBMQHPXNRX-UHFFFAOYSA-N -1 1 451.529 4.517 50 0 JJAAMM O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000033078668 526351550 /nfs/dbraw/zinc/35/15/50/526351550.db2.gz VPMCCHOIOZIOBO-UHFFFAOYSA-N -1 1 497.954 4.631 50 0 JJAAMM O=C(CCCOc1ccc(Cl)cc1Cl)Nn1c(=O)c2c3c(sc2[n-]c1=S)CCC3 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/nfs/dbraw/zinc/25/17/08/527251708.db2.gz OEHYDPWUILNMPO-UHFFFAOYSA-N -1 1 456.365 4.911 50 0 JJAAMM O=C(Nc1cccc2nsnc21)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000033170542 527389721 /nfs/dbraw/zinc/38/97/21/527389721.db2.gz IPDRXJSBTUBGCS-UHFFFAOYSA-N -1 1 462.915 4.537 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1C ZINC000000628250 553715710 /nfs/dbraw/zinc/71/57/10/553715710.db2.gz HKQFNFKZHCZHCO-UHFFFAOYSA-N -1 1 482.583 4.758 50 0 JJAAMM O=C([N-]N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Cl)cc1Cl ZINC000000842071 553793710 /nfs/dbraw/zinc/79/37/10/553793710.db2.gz RPPNDZBYAYODJR-LIKPIUCQSA-N -1 1 463.320 4.530 50 0 JJAAMM O=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000002691784 554288015 /nfs/dbraw/zinc/28/80/15/554288015.db2.gz QGFFZOZHBQAYLI-UHFFFAOYSA-N -1 1 493.566 4.538 50 0 JJAAMM CC[C@@H](Sc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002693930 554291529 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JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)ccc1OCc1ccccc1C ZINC000009409685 555174905 /nfs/dbraw/zinc/17/49/05/555174905.db2.gz UKKQAJRVJVJAGJ-OAQYLSRUSA-N -1 1 467.525 4.807 50 0 JJAAMM CCn1c(CSc2nccc(C)n2)nc2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc21 ZINC000009421254 555187532 /nfs/dbraw/zinc/18/75/32/555187532.db2.gz YJSXFJLAKUVNPW-UHFFFAOYSA-N -1 1 453.593 4.556 50 0 JJAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(C)cc2)n1 ZINC000009453880 555224967 /nfs/dbraw/zinc/22/49/67/555224967.db2.gz POQUCOZEXVUTIC-QHCPKHFHSA-N -1 1 476.602 4.509 50 0 JJAAMM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1OCC ZINC000009491488 555269095 /nfs/dbraw/zinc/26/90/95/555269095.db2.gz JINNLQCYPZMVFG-QGZVFWFLSA-N -1 1 486.565 4.915 50 0 JJAAMM Cc1nc(-c2ccc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc5c(c4)OCO5)c3)cc2)cs1 ZINC000009512838 555302820 /nfs/dbraw/zinc/30/28/20/555302820.db2.gz FPWAHWTUTMGOQL-UHFFFAOYSA-N -1 1 493.566 4.900 50 0 JJAAMM CCN(CC)c1ccc(NC(=S)Nc2cccnc2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000009540592 555333642 /nfs/dbraw/zinc/33/36/42/555333642.db2.gz CCFQADOIXMJVKC-UHFFFAOYSA-N -1 1 485.635 4.546 50 0 JJAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccco3)C2)cc1 ZINC000009548848 555345709 /nfs/dbraw/zinc/34/57/09/555345709.db2.gz LSPWUGPTEARISF-IFMALSPDSA-N -1 1 492.532 4.605 50 0 JJAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000009549316 555347348 /nfs/dbraw/zinc/34/73/48/555347348.db2.gz SBPXJAFGRSJBNI-UHFFFAOYSA-N -1 1 493.368 4.747 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nc(-c4ccccn4)cs3)c2)cc1 ZINC000009657667 555362890 /nfs/dbraw/zinc/36/28/90/555362890.db2.gz VTXLMTRPDCSOFC-UHFFFAOYSA-N -1 1 450.545 4.567 50 0 JJAAMM CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000013352688 555381229 /nfs/dbraw/zinc/38/12/29/555381229.db2.gz BLXHDHQKPUKLOP-IBGZPJMESA-N -1 1 499.677 4.552 50 0 JJAAMM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000009715100 555446468 /nfs/dbraw/zinc/44/64/68/555446468.db2.gz URMQLBXZMIMOHJ-UHFFFAOYSA-N -1 1 460.342 4.802 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000009715810 555448558 /nfs/dbraw/zinc/44/85/58/555448558.db2.gz SYUWPMONVNNLMR-UHFFFAOYSA-N -1 1 450.438 4.767 50 0 JJAAMM COc1ccc(CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C2CC2)cc1 ZINC000009724921 555457883 /nfs/dbraw/zinc/45/78/83/555457883.db2.gz ZOLGKDSBLCYFTG-UHFFFAOYSA-N -1 1 472.513 4.579 50 0 JJAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000019924454 555540607 /nfs/dbraw/zinc/54/06/07/555540607.db2.gz SAEAUDCSRMLYGE-UHFFFAOYSA-N -1 1 491.657 4.743 50 0 JJAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013788158 555620123 /nfs/dbraw/zinc/62/01/23/555620123.db2.gz HHBJMBDMRPNYGU-CYXNTTPDSA-N -1 1 472.541 4.844 50 0 JJAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000013896651 555644007 /nfs/dbraw/zinc/64/40/07/555644007.db2.gz JMXJAIJDSCINLS-UHFFFAOYSA-N -1 1 462.618 4.627 50 0 JJAAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000013897143 555644171 /nfs/dbraw/zinc/64/41/71/555644171.db2.gz SUUYBVHAIQGMAN-DHDCSXOGSA-N -1 1 455.966 4.754 50 0 JJAAMM COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1nc([O-])c(CC(=O)Nc2ccccc2)s1 ZINC000020134582 555659095 /nfs/dbraw/zinc/65/90/95/555659095.db2.gz IDGMNIBTESILJQ-UPVQGACJSA-N -1 1 484.581 4.873 50 0 JJAAMM Nc1nc(SCc2ccc(Cl)c(Cl)c2)[n-]c(=O)c1NC(=O)c1ccc(Br)o1 ZINC000010243613 555659689 /nfs/dbraw/zinc/65/96/89/555659689.db2.gz HIBAOZVLFCXGRV-UHFFFAOYSA-N -1 1 490.166 4.559 50 0 JJAAMM Cc1nn(C)c2sc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)cc12 ZINC000014275429 555780645 /nfs/dbraw/zinc/78/06/45/555780645.db2.gz XMQGHCPEWSLMGF-UHFFFAOYSA-N -1 1 474.995 4.958 50 0 JJAAMM Cc1ccccc1NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000011695883 555802622 /nfs/dbraw/zinc/80/26/22/555802622.db2.gz PGQTZTJBGCJANN-UHFFFAOYSA-N -1 1 463.584 4.949 50 0 JJAAMM COc1ccccc1NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000011695882 555802703 /nfs/dbraw/zinc/80/27/03/555802703.db2.gz MGUMOHFHMKWIRY-UHFFFAOYSA-N -1 1 479.583 4.649 50 0 JJAAMM C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)C1 ZINC000014529485 555816535 /nfs/dbraw/zinc/81/65/35/555816535.db2.gz NUJAUYJDUSJSFK-QZTJIDSGSA-N -1 1 484.647 4.674 50 0 JJAAMM CCCCOc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000011854900 555836300 /nfs/dbraw/zinc/83/63/00/555836300.db2.gz FDQWELYIKWNFTD-UHFFFAOYSA-N -1 1 463.563 4.732 50 0 JJAAMM O=C(Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1)c1ccc2c(c1)OCO2 ZINC000011855255 555837020 /nfs/dbraw/zinc/83/70/20/555837020.db2.gz RRQVZBVTBXRDDG-UHFFFAOYSA-N -1 1 483.509 4.744 50 0 JJAAMM CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)cc1 ZINC000015268597 555891409 /nfs/dbraw/zinc/89/14/09/555891409.db2.gz UZPWJBIWNPKUIC-UHFFFAOYSA-N -1 1 457.939 4.660 50 0 JJAAMM COc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c(OC)cc1Cl ZINC000015475071 555910498 /nfs/dbraw/zinc/91/04/98/555910498.db2.gz BJLBIBVIVHTTIC-UHFFFAOYSA-N -1 1 482.892 4.689 50 0 JJAAMM CC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000015705228 555952838 /nfs/dbraw/zinc/95/28/38/555952838.db2.gz GGNYRHHYHIPPAT-UHFFFAOYSA-N -1 1 457.939 4.660 50 0 JJAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N(Cc1cccnc1)C1CC1 ZINC000012535945 556008639 /nfs/dbraw/zinc/00/86/39/556008639.db2.gz QNUHYFFALGFUDF-UHFFFAOYSA-N -1 1 476.385 4.994 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2C)cc1Br ZINC000012536124 556008924 /nfs/dbraw/zinc/00/89/24/556008924.db2.gz YHTHNAHUDNTTQT-UHFFFAOYSA-N -1 1 479.352 4.802 50 0 JJAAMM Cc1ccc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1 ZINC000012552676 556035975 /nfs/dbraw/zinc/03/59/75/556035975.db2.gz KAKFIFCFCCQTFL-UHFFFAOYSA-N -1 1 452.532 4.518 50 0 JJAAMM Cc1cc(C)cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1 ZINC000012552634 556035995 /nfs/dbraw/zinc/03/59/95/556035995.db2.gz LJDLQSMIMNTUNC-UHFFFAOYSA-N -1 1 452.532 4.518 50 0 JJAAMM O=C(NCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000015869484 556048703 /nfs/dbraw/zinc/04/87/03/556048703.db2.gz WAHHBDDKHCLKIL-UHFFFAOYSA-N -1 1 458.942 4.628 50 0 JJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000015882237 556055543 /nfs/dbraw/zinc/05/55/43/556055543.db2.gz QLODFLIFMSDHNA-UHFFFAOYSA-N -1 1 462.497 4.954 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4[C@H]3C)c2)cc1 ZINC000012584120 556081538 /nfs/dbraw/zinc/08/15/38/556081538.db2.gz LOVMLSOVYQGXNJ-MRXNPFEDSA-N -1 1 456.589 4.707 50 0 JJAAMM CCc1ccc(OCc2nnc(SCC(=O)[N-]C(=O)c3ccc(Cl)cc3)n2CC(C)C)cc1 ZINC000023935091 556101763 /nfs/dbraw/zinc/10/17/63/556101763.db2.gz VHIJAVXGMIIMAN-UHFFFAOYSA-N -1 1 487.025 4.778 50 0 JJAAMM CC(C)c1ccc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)cc1 ZINC000012781446 556111975 /nfs/dbraw/zinc/11/19/75/556111975.db2.gz IJRQOUJBXOZWHD-QFIPXVFZSA-N -1 1 478.618 4.875 50 0 JJAAMM Cc1cc(NC(=O)c2c(F)cccc2Cl)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1 ZINC000017053528 556213998 /nfs/dbraw/zinc/21/39/98/556213998.db2.gz KNWACCLTFCTYJZ-UHFFFAOYSA-N -1 1 491.914 4.677 50 0 JJAAMM O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000017178208 556233242 /nfs/dbraw/zinc/23/32/42/556233242.db2.gz NDQNPBAQFMBOMD-UHFFFAOYSA-N -1 1 471.376 4.843 50 0 JJAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000017190925 556236620 /nfs/dbraw/zinc/23/66/20/556236620.db2.gz AOTWYFFMINCYHN-UHFFFAOYSA-N -1 1 488.569 4.573 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3CCCCC3)c2)cc1Br ZINC000026955425 556266557 /nfs/dbraw/zinc/26/65/57/556266557.db2.gz GITUASFNTNWJRU-UHFFFAOYSA-N -1 1 481.412 4.663 50 0 JJAAMM O=C(COc1ccc2c(c1)CCC2)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000013095632 556288282 /nfs/dbraw/zinc/28/82/82/556288282.db2.gz NJCZDUJZAHVWNF-UHFFFAOYSA-N -1 1 456.951 4.647 50 0 JJAAMM COc1cccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1OC ZINC000018121804 556290850 /nfs/dbraw/zinc/29/08/50/556290850.db2.gz HWCFNAAYDFUGQA-JWQCQUIFSA-N -1 1 496.567 4.865 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000027664428 556303697 /nfs/dbraw/zinc/30/36/97/556303697.db2.gz JQPZGRRXUSTFPF-DBXWQHBBSA-N -1 1 482.817 4.843 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3cccc(F)c3)ccc2N2CCCC2)cc1 ZINC000013109782 556309644 /nfs/dbraw/zinc/30/96/44/556309644.db2.gz ZGOTWDCARJDELJ-VGOFMYFVSA-N -1 1 495.576 4.887 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)[C@H](C)CC)c2)cc1Br ZINC000028409041 556333335 /nfs/dbraw/zinc/33/33/35/556333335.db2.gz UHTXDFCBIGJDIA-CYBMUJFWSA-N -1 1 455.374 4.633 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)ccc2C)c1 ZINC000029604966 556353824 /nfs/dbraw/zinc/35/38/24/556353824.db2.gz QDLBQIVKCCZYTH-UHFFFAOYSA-N -1 1 463.563 4.682 50 0 JJAAMM CC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccco3)nc2[O-])cc1 ZINC000013130284 556355113 /nfs/dbraw/zinc/35/51/13/556355113.db2.gz XITYIUJDLVCGEG-GHTZIAJQSA-N -1 1 492.582 4.722 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)c2)cc1 ZINC000029714906 556355590 /nfs/dbraw/zinc/35/55/90/556355590.db2.gz IZDWOWCCGVONNE-VWLOTQADSA-N -1 1 457.555 4.710 50 0 JJAAMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCc1cccc2cccnc21 ZINC000029875176 556359669 /nfs/dbraw/zinc/35/96/69/556359669.db2.gz AJCNCIPUVPFNHL-GOSISDBHSA-N -1 1 467.374 4.588 50 0 JJAAMM O=C(Nc1nccs1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000031534793 556398896 /nfs/dbraw/zinc/39/88/96/556398896.db2.gz GZYXDRLLJZMAGW-UHFFFAOYSA-N -1 1 461.874 4.868 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000032111891 556420899 /nfs/dbraw/zinc/42/08/99/556420899.db2.gz XOOVKRBMZDMNSA-UHFFFAOYSA-N -1 1 471.387 4.903 50 0 JJAAMM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc21 ZINC000032943674 556556120 /nfs/dbraw/zinc/55/61/20/556556120.db2.gz LFJVGPACZNYAHB-UHFFFAOYSA-N -1 1 450.891 4.618 50 0 JJAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1)NCCc1ccccc1 ZINC000032948348 556563348 /nfs/dbraw/zinc/56/33/48/556563348.db2.gz IOJXDEBJPQNKRJ-UHFFFAOYSA-N -1 1 489.047 4.609 50 0 JJAAMM COc1ccccc1OCCSc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[n-]n21 ZINC000008673340 562950146 /nfs/dbraw/zinc/95/01/46/562950146.db2.gz JVUBQYGUMDHFDK-UHFFFAOYSA-N -1 1 450.564 4.562 50 0 JJAAMM O=C(COc1ccc(Br)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000008723358 569599204 /nfs/dbraw/zinc/59/92/04/569599204.db2.gz HXJCDQUWWTVSKZ-UHFFFAOYSA-N -1 1 495.782 4.921 50 0 JJAAMM Cc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccccc5)cc4)cn3)n2)cc1 ZINC000032974759 569605797 /nfs/dbraw/zinc/60/57/97/569605797.db2.gz RIWTUZIYTBFVQG-UHFFFAOYSA-N -1 1 471.542 4.758 50 0 JJAAMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008016 569615796 /nfs/dbraw/zinc/61/57/96/569615796.db2.gz PVHFLJBRNKBGDP-UHFFFAOYSA-N -1 1 475.498 4.636 50 0 JJAAMM COc1cc([N-]S(=O)(=O)c2cccc(C)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008019 569615827 /nfs/dbraw/zinc/61/58/27/569615827.db2.gz SBSDSSHMXMTZRY-UHFFFAOYSA-N -1 1 453.545 4.666 50 0 JJAAMM Cn1c2cc([N-]S(=O)(=O)Cc3ccccc3Cl)c(Sc3ccc(F)cc3)cc2n(C)c1=O ZINC000064580884 569620753 /nfs/dbraw/zinc/62/07/53/569620753.db2.gz NNOLLRDVBGCKCR-UHFFFAOYSA-N -1 1 491.997 4.763 50 0 JJAAMM COc1ccc(CNC(=O)C2CCN(c3nc(=O)c4scc(-c5cccc(C)c5)c4[n-]3)CC2)cc1 ZINC000064611803 569623033 /nfs/dbraw/zinc/62/30/33/569623033.db2.gz YDTSGNSGSGONRC-UHFFFAOYSA-N -1 1 488.613 4.501 50 0 JJAAMM CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c1)NC(=O)CCC2=O ZINC000065011106 569648130 /nfs/dbraw/zinc/64/81/30/569648130.db2.gz OWTGZPIGKNRFFN-UHFFFAOYSA-N -1 1 480.590 4.601 50 0 JJAAMM CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c1)NC(=O)CCC2=O ZINC000065011083 569648139 /nfs/dbraw/zinc/64/81/39/569648139.db2.gz PVLXHJBYYZRREG-UHFFFAOYSA-N -1 1 486.981 4.638 50 0 JJAAMM CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccc(SC)cc3)c1)NC(=O)CCC2=O ZINC000065011143 569648310 /nfs/dbraw/zinc/64/83/10/569648310.db2.gz AQPPCEJRPLCRTA-UHFFFAOYSA-N -1 1 498.630 4.706 50 0 JJAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)ccc1Br ZINC000065021284 569648432 /nfs/dbraw/zinc/64/84/32/569648432.db2.gz HWSILIHNHAPFJR-UHFFFAOYSA-N -1 1 463.397 4.593 50 0 JJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035946 569652817 /nfs/dbraw/zinc/65/28/17/569652817.db2.gz RZVAOHAZNZRIRJ-UHFFFAOYSA-N -1 1 486.663 4.809 50 0 JJAAMM CCc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)n(C)c2C)cc1 ZINC000065035924 569652903 /nfs/dbraw/zinc/65/29/03/569652903.db2.gz MNMGQPCERMONQQ-UHFFFAOYSA-N -1 1 486.663 4.755 50 0 JJAAMM CC(C)CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000065059767 569654979 /nfs/dbraw/zinc/65/49/79/569654979.db2.gz IVUXRMGCOGDGSX-UHFFFAOYSA-N -1 1 457.527 4.590 50 0 JJAAMM CCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000065059908 569655102 /nfs/dbraw/zinc/65/51/02/569655102.db2.gz NAWHETCTQOLHRP-UHFFFAOYSA-N -1 1 453.564 4.821 50 0 JJAAMM CCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059902 569655134 /nfs/dbraw/zinc/65/51/34/569655134.db2.gz LQMHTFWZVLDOMB-UHFFFAOYSA-N -1 1 459.955 4.858 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000035092959 569674728 /nfs/dbraw/zinc/67/47/28/569674728.db2.gz JQPZGRRXUSTFPF-UEXGIBASSA-N -1 1 482.817 4.843 50 0 JJAAMM Cc1cn2cc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)ccc3Cl)ccc2n1 ZINC000065505239 569675678 /nfs/dbraw/zinc/67/56/78/569675678.db2.gz BSRDDPGORIRZCU-UHFFFAOYSA-N -1 1 468.966 4.966 50 0 JJAAMM O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)OC(=C([O-])c2cccs2)c2cccs2)C1 ZINC000069375469 569692794 /nfs/dbraw/zinc/69/27/94/569692794.db2.gz SUTSSHQGTQNDJR-KOSHJBKYSA-N -1 1 483.611 4.985 50 0 JJAAMM CCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000035527321 569699210 /nfs/dbraw/zinc/69/92/10/569699210.db2.gz PBKHQWHUMCCLBG-UHFFFAOYSA-N -1 1 490.379 4.577 50 0 JJAAMM Cc1c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2oc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000085654781 569714779 /nfs/dbraw/zinc/71/47/79/569714779.db2.gz FNTNYEFPOBXJCU-UHFFFAOYSA-N -1 1 475.482 4.988 50 0 JJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1OC ZINC000086057118 569717099 /nfs/dbraw/zinc/71/70/99/569717099.db2.gz DGRIMDZOQWQXRT-SFHVURJKSA-N -1 1 465.575 4.642 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057317 569717171 /nfs/dbraw/zinc/71/71/71/569717171.db2.gz DJKVUSHWHUTDHQ-SFHVURJKSA-N -1 1 465.575 4.641 50 0 JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)ccc1OCC(C)C ZINC000086057320 569717201 /nfs/dbraw/zinc/71/72/01/569717201.db2.gz OBZXBLPZUMYMAB-LJQANCHMSA-N -1 1 479.602 4.888 50 0 JJAAMM CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)cc1OCC ZINC000086057496 569717283 /nfs/dbraw/zinc/71/72/83/569717283.db2.gz YDFFCCKRRVBZAE-KRWDZBQOSA-N -1 1 485.993 4.987 50 0 JJAAMM CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000086057475 569717321 /nfs/dbraw/zinc/71/73/21/569717321.db2.gz XGDDHXXKDVPBTM-MRXNPFEDSA-N -1 1 471.966 4.597 50 0 JJAAMM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000086057573 569717429 /nfs/dbraw/zinc/71/74/29/569717429.db2.gz CHHRQTAMMCFKBK-QGZVFWFLSA-N -1 1 485.993 4.987 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)ccc1OC(C)C ZINC000086057604 569717463 /nfs/dbraw/zinc/71/74/63/569717463.db2.gz BSIHUGOXPZTTRW-KRWDZBQOSA-N -1 1 485.993 4.986 50 0 JJAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000089651338 569719421 /nfs/dbraw/zinc/71/94/21/569719421.db2.gz RCOWVRXAMDOWPS-UHFFFAOYSA-N -1 1 472.632 4.918 50 0 JJAAMM O=C1C[C@@H](c2cccc3cccnc32)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096114330 569733425 /nfs/dbraw/zinc/73/34/25/569733425.db2.gz CNIKAWDNWJISPM-SFHVURJKSA-N -1 1 451.434 4.860 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1cccc3cccnc31)CC(=O)O2 ZINC000096114330 569733426 /nfs/dbraw/zinc/73/34/26/569733426.db2.gz CNIKAWDNWJISPM-SFHVURJKSA-N -1 1 451.434 4.860 50 0 biogenic JJAAMM O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000096114295 569733545 /nfs/dbraw/zinc/73/35/45/569733545.db2.gz IEOGBPONBHGDBB-INIZCTEOSA-N -1 1 452.418 4.713 50 0 biogenic JJAAMM O=C1C[C@H](c2ccc3ncccc3c2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115983 569734801 /nfs/dbraw/zinc/73/48/01/569734801.db2.gz LVFQLNWORCRCHZ-GOSISDBHSA-N -1 1 451.434 4.860 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000096115983 569734803 /nfs/dbraw/zinc/73/48/03/569734803.db2.gz LVFQLNWORCRCHZ-GOSISDBHSA-N -1 1 451.434 4.860 50 0 biogenic JJAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)ccc1OC(F)F ZINC000096117438 569735769 /nfs/dbraw/zinc/73/57/69/569735769.db2.gz RHCJLXXLEAAYNB-SUMWQHHRSA-N -1 1 453.511 4.803 50 0 JJAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1O ZINC000100065332 569752236 /nfs/dbraw/zinc/75/22/36/569752236.db2.gz LUYSNAQWVVXNAL-UHFFFAOYSA-N -1 1 482.540 4.980 50 0 JJAAMM CC(C)(C)c1[nH]n(-c2ccccc2)c(=O)c1[C@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000100942077 569777041 /nfs/dbraw/zinc/77/70/41/569777041.db2.gz HSTLTVPTRHBTCU-HKUYNNGSSA-N -1 1 471.351 4.788 50 0 JJAAMM O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C1=Nc2ccccc2S[C@H](c2cccc(O)c2)C1 ZINC000101495289 569800444 /nfs/dbraw/zinc/80/04/44/569800444.db2.gz BUNAWEXXVCEFHA-NRFANRHFSA-N -1 1 491.956 4.948 50 0 JJAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(C)s3)C2)c1[O-] ZINC000101495339 569800475 /nfs/dbraw/zinc/80/04/75/569800475.db2.gz ZYJZVTOJRFNKNH-NRFANRHFSA-N -1 1 491.594 4.968 50 0 JJAAMM Cc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c1[O-] ZINC000101766778 569804684 /nfs/dbraw/zinc/80/46/84/569804684.db2.gz DNCXBTSBGAYMFU-QHCPKHFHSA-N -1 1 499.548 4.626 50 0 JJAAMM COc1ccccc1-n1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000101766738 569804743 /nfs/dbraw/zinc/80/47/43/569804743.db2.gz SVYAHOKSKNFIOQ-QFIPXVFZSA-N -1 1 471.538 4.598 50 0 JJAAMM COc1ccccc1-n1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000101766743 569804838 /nfs/dbraw/zinc/80/48/38/569804838.db2.gz SVYAHOKSKNFIOQ-JOCHJYFZSA-N -1 1 471.538 4.598 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3cccs3)nn2c1=O ZINC000101878532 569806908 /nfs/dbraw/zinc/80/69/08/569806908.db2.gz FOLUGGYUGIEEIN-UHFFFAOYSA-N -1 1 455.971 4.631 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(OC)c3)C(=O)c3ccccc3Cl)nn2c1=O ZINC000101878637 569806923 /nfs/dbraw/zinc/80/69/23/569806923.db2.gz FHPOGVCUFPGNCG-UHFFFAOYSA-N -1 1 479.968 4.578 50 0 JJAAMM O=C(NCCCc1ccccc1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421197 569846818 /nfs/dbraw/zinc/84/68/18/569846818.db2.gz KOUDMUSMIKVURY-NRFANRHFSA-N -1 1 472.614 4.617 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N[C@@H]4CCc5ccccc54)CC2)nc3=O)c1 ZINC000049421400 569847391 /nfs/dbraw/zinc/84/73/91/569847391.db2.gz RXEJKCAOZXPNOR-HSZRJFAPSA-N -1 1 484.625 4.980 50 0 JJAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C1)nc2=O ZINC000049421423 569847430 /nfs/dbraw/zinc/84/74/30/569847430.db2.gz YOTUHFMMCNRKFC-BBTUJRGHSA-N -1 1 464.635 4.871 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)c2)cc1 ZINC000110559657 569860872 /nfs/dbraw/zinc/86/08/72/569860872.db2.gz ZWZMWDYIVDJLHN-WDJPJFJCSA-N -1 1 487.618 4.957 50 0 JJAAMM CCOc1cccc([C@@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(C)=O)c1 ZINC000170612597 569872827 /nfs/dbraw/zinc/87/28/27/569872827.db2.gz XYDGHYUXQLGLNS-VWLOTQADSA-N -1 1 463.559 4.584 50 0 JJAAMM CCOc1cccc([C@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(=O)CC)c1 ZINC000170612523 569872831 /nfs/dbraw/zinc/87/28/31/569872831.db2.gz PEAVOOOUSPCJGX-RUZDIDTESA-N -1 1 477.586 4.974 50 0 JJAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)ccc1O ZINC000253397693 570096047 /nfs/dbraw/zinc/09/60/47/570096047.db2.gz BOWHZSBVAAWGTA-HNNXBMFYSA-N -1 1 464.857 4.974 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc5nccnc5c3)CC(=O)O4)c2=O)cc1OC ZINC000263585927 570171497 /nfs/dbraw/zinc/17/14/97/570171497.db2.gz NXWVXTDMHFGVPE-INIZCTEOSA-N -1 1 496.475 4.567 50 0 JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc3nccnc3c2)cc1OC ZINC000263585927 570171498 /nfs/dbraw/zinc/17/14/98/570171498.db2.gz NXWVXTDMHFGVPE-INIZCTEOSA-N -1 1 496.475 4.567 50 0 JJAAMM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1cc(Br)c(Br)s1 ZINC000001043507 194008457 /nfs/dbraw/zinc/00/84/57/194008457.db2.gz APTPHPGFPDDSCM-UHFFFAOYSA-N -1 1 479.137 4.770 50 0 JJAAMM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000001145965 194047772 /nfs/dbraw/zinc/04/77/72/194047772.db2.gz XADMTLZCXJFKON-UHFFFAOYSA-N -1 1 475.364 4.576 50 0 JJAAMM COc1ccc(-n2cnc3cc([N-]S(=O)(=O)c4ccc(Br)cc4)ccc32)cc1 ZINC000001131042 194039045 /nfs/dbraw/zinc/03/90/45/194039045.db2.gz AYGCTGQBHVJUTH-UHFFFAOYSA-N -1 1 458.337 4.597 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000001138946 194043515 /nfs/dbraw/zinc/04/35/15/194043515.db2.gz ZGZFKQBRCSDVHQ-UHFFFAOYSA-N -1 1 487.386 4.604 50 0 JJAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(C)c(S(=O)(=O)c2ccccc2)c1 ZINC000001196437 194067342 /nfs/dbraw/zinc/06/73/42/194067342.db2.gz XCVNGBIICHTXOX-UHFFFAOYSA-N -1 1 480.405 4.700 50 0 JJAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000001196861 194067764 /nfs/dbraw/zinc/06/77/64/194067764.db2.gz MHEXHXLDCXLYMF-UHFFFAOYSA-N -1 1 486.796 4.736 50 0 JJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(oc(C)c3C(C)=O)c(Br)c2)cc1 ZINC000001208767 194070724 /nfs/dbraw/zinc/07/07/24/194070724.db2.gz GZRLIFMWACFPIK-UHFFFAOYSA-N -1 1 452.326 4.906 50 0 JJAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OCC)cc1)cc2Br ZINC000001208739 194070554 /nfs/dbraw/zinc/07/05/54/194070554.db2.gz WCOVLFTZIWZHPN-UHFFFAOYSA-N -1 1 482.352 4.880 50 0 JJAAMM O=S(=O)([N-]c1ccc(Br)cc1)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001230299 194076526 /nfs/dbraw/zinc/07/65/26/194076526.db2.gz ZXVWHFQDXKCIHC-UHFFFAOYSA-N -1 1 486.796 4.736 50 0 JJAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C[C@@H](C(C)(C)C)CC5)cc2n(C)c1=O ZINC000001320763 194084292 /nfs/dbraw/zinc/08/42/92/194084292.db2.gz YDDVOFHMGJKVNI-HNNXBMFYSA-N -1 1 467.591 4.575 50 0 JJAAMM O=C(COc1c(Br)cc(Br)cc1Br)c1ccc([O-])cc1O ZINC000003111547 194226994 /nfs/dbraw/zinc/22/69/94/194226994.db2.gz NVSOKFYXOGCXRQ-UHFFFAOYSA-N -1 1 480.934 4.647 50 0 JJAAMM O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)[N-]C(=O)c1ccc(Cl)cc1 ZINC000003247827 194250769 /nfs/dbraw/zinc/25/07/69/194250769.db2.gz OOHGUMRMQSLLCK-UHFFFAOYSA-N -1 1 454.964 4.698 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCC(=O)c4ccc(OC)cc4)nc3c2)cc1 ZINC000003288086 194265667 /nfs/dbraw/zinc/26/56/67/194265667.db2.gz NZEORGMEGPYDCA-UHFFFAOYSA-N -1 1 484.555 4.621 50 0 JJAAMM O=C([O-])CSc1cc(C(=O)c2ccccc2O)cn2c(=O)c3c(-c4ccccc4)csc3nc12 ZINC000003426103 194320135 /nfs/dbraw/zinc/32/01/35/194320135.db2.gz DBGGLZDZRKKRJE-UHFFFAOYSA-N -1 1 488.546 4.690 50 0 JJAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCCc3c[nH]c4ccccc34)c2)cc1 ZINC000003434086 194323374 /nfs/dbraw/zinc/32/33/74/194323374.db2.gz OLGIFGOYZVCYBT-UHFFFAOYSA-N -1 1 498.004 4.993 50 0 JJAAMM O=C1N[C@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163817 194381978 /nfs/dbraw/zinc/38/19/78/194381978.db2.gz IOACSLMWJMVTPK-DBXWQHBBSA-N -1 1 464.827 4.704 50 0 JJAAMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c([C@H](O)c2cccc(Br)c2)cc1OC ZINC000004244681 194385962 /nfs/dbraw/zinc/38/59/62/194385962.db2.gz IRNXFWPOHSPXMC-JOCHJYFZSA-N -1 1 492.391 4.657 50 0 JJAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc(Cl)c1 ZINC000012605176 195050635 /nfs/dbraw/zinc/05/06/35/195050635.db2.gz AWPVUXPFKDSYHX-UHFFFAOYSA-N -1 1 457.360 4.595 50 0 JJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000012630401 195062272 /nfs/dbraw/zinc/06/22/72/195062272.db2.gz LKXQRSXCSLBLPL-UHFFFAOYSA-N -1 1 452.532 4.613 50 0 JJAAMM Cc1ccc(NS(=O)(=O)c2ccccc2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000012630536 195062454 /nfs/dbraw/zinc/06/24/54/195062454.db2.gz TXUHBCAYQYEATO-UHFFFAOYSA-N -1 1 470.494 4.615 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012630536 195062458 /nfs/dbraw/zinc/06/24/58/195062458.db2.gz TXUHBCAYQYEATO-UHFFFAOYSA-N -1 1 470.494 4.615 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)cc2)cc1 ZINC000012744152 195101946 /nfs/dbraw/zinc/10/19/46/195101946.db2.gz APHRGSIPWJQQIB-UHFFFAOYSA-N -1 1 460.502 4.669 50 0 JJAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000012794154 195134170 /nfs/dbraw/zinc/13/41/70/195134170.db2.gz IYMNKMJOWISHFN-CYBMUJFWSA-N -1 1 450.486 4.903 50 0 JJAAMM O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012822781 195150026 /nfs/dbraw/zinc/15/00/26/195150026.db2.gz ZKJVXIMRFAKVQM-HXUWFJFHSA-N -1 1 460.527 4.733 50 0 JJAAMM Cc1noc(C)c1CSCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012871776 195163960 /nfs/dbraw/zinc/16/39/60/195163960.db2.gz GRNPQEXQJYUSLQ-UHFFFAOYSA-N -1 1 480.011 4.926 50 0 JJAAMM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000020716343 195206432 /nfs/dbraw/zinc/20/64/32/195206432.db2.gz MOJDTBMUFXALKI-RUZDIDTESA-N -1 1 470.504 4.935 50 0 JJAAMM Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4nc(Cc5n[n-]c(=S)n5C)cs4)cc3)o2)c1 ZINC000062630725 195428925 /nfs/dbraw/zinc/42/89/25/195428925.db2.gz DNZPYYXNBOXCJS-UHFFFAOYSA-N -1 1 489.586 4.803 50 0 JJAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000033254109 519443048 /nfs/dbraw/zinc/44/30/48/519443048.db2.gz BOOJVESZJOVGER-JOCHJYFZSA-N -1 1 499.677 4.696 50 0 JJAAMM CCOC(=O)C1=C(NC(=O)C=Cc2c(C)nn(Cc3ccc(C)cc3)c2C)[N-]c2ccccc2N=C1C ZINC000016046079 520506908 /nfs/dbraw/zinc/50/69/08/520506908.db2.gz DFJPEZPTCXITLH-FOCLMDBBSA-N -1 1 497.599 4.979 50 0 JJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1/C=C/c1ccccc1 ZINC000048229479 521166329 /nfs/dbraw/zinc/16/63/29/521166329.db2.gz HINWALXWXDCINB-RURFIKTLSA-N -1 1 459.571 4.916 50 0 JJAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(C(=O)NC(C)C)cn3)cc2)cc1 ZINC000033138330 521217992 /nfs/dbraw/zinc/21/79/92/521217992.db2.gz MLVAOMLUDSVOHE-UHFFFAOYSA-N -1 1 498.630 4.520 50 0 JJAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2CC)c1 ZINC000033173564 521546201 /nfs/dbraw/zinc/54/62/01/521546201.db2.gz IEUQPXPKLMKWCP-UHFFFAOYSA-N -1 1 468.453 4.900 50 0 JJAAMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000048326726 522788308 /nfs/dbraw/zinc/78/83/08/522788308.db2.gz ACKMAWHLKXRBTG-JOCHJYFZSA-N -1 1 460.559 4.759 50 0 JJAAMM CCc1cc(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)n2nc(C)nc2n1 ZINC000033276042 523842679 /nfs/dbraw/zinc/84/26/79/523842679.db2.gz HNQWCLIAMDZRMF-UHFFFAOYSA-N -1 1 459.984 4.601 50 0 JJAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000033173530 523853850 /nfs/dbraw/zinc/85/38/50/523853850.db2.gz SCGNAQIGLJBQIF-UHFFFAOYSA-N -1 1 456.442 4.741 50 0 JJAAMM COCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)nc1 ZINC000033138437 523926513 /nfs/dbraw/zinc/92/65/13/523926513.db2.gz ZVMWELOURGEZAO-UHFFFAOYSA-N -1 1 485.631 4.533 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)ccc2C)c1C ZINC000016362143 524688751 /nfs/dbraw/zinc/68/87/51/524688751.db2.gz 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COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nc4c(s3)COc3ccccc3-4)cc2)cc1 ZINC000009715002 555446170 /nfs/dbraw/zinc/44/61/70/555446170.db2.gz CRWMCLUFTFKWHD-UHFFFAOYSA-N -1 1 493.566 4.764 50 0 JJAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1)N1CC=C(c2ccccc2)CC1 ZINC000009715656 555447993 /nfs/dbraw/zinc/44/79/93/555447993.db2.gz BIOMDAAVDJEMDP-UHFFFAOYSA-N -1 1 490.581 4.578 50 0 JJAAMM C=C1N=C(SCc2ccc(C(=O)[O-])cc2)N[C@H](c2ccc(OCC)cc2)C1C(=O)OCC ZINC000009731919 555469265 /nfs/dbraw/zinc/46/92/65/555469265.db2.gz GDXSVTNYGYCNSO-OAQYLSRUSA-N -1 1 454.548 4.554 50 0 JJAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1CC=C(c2ccccc2)CC1 ZINC000009791154 555510150 /nfs/dbraw/zinc/51/01/50/555510150.db2.gz KYVKFSBNNXFDEV-UHFFFAOYSA-N -1 1 490.581 4.578 50 0 JJAAMM O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)[N-]C(=O)c1ccccc1Cl ZINC000009793256 555511613 /nfs/dbraw/zinc/51/16/13/555511613.db2.gz UGKBYMOBHTYUOT-UHFFFAOYSA-N -1 1 477.373 4.548 50 0 JJAAMM COc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)ccc1OCc1cccc(C)c1 ZINC000013592674 555527539 /nfs/dbraw/zinc/52/75/39/555527539.db2.gz RSGLRNFUZGOPCH-OAQYLSRUSA-N -1 1 467.525 4.807 50 0 JJAAMM COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(OC)c1 ZINC000013936111 555648348 /nfs/dbraw/zinc/64/83/48/555648348.db2.gz RRGMRUQUUNCOPO-UHFFFAOYSA-N -1 1 477.995 4.967 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1 ZINC000014186171 555727592 /nfs/dbraw/zinc/72/75/92/555727592.db2.gz VHXRVYCMGDOADR-UHFFFAOYSA-N -1 1 450.969 4.558 50 0 JJAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000010640324 555730056 /nfs/dbraw/zinc/73/00/56/555730056.db2.gz FCFLKVXKQIOJQX-HNNXBMFYSA-N -1 1 470.549 4.971 50 0 JJAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000010640322 555730062 /nfs/dbraw/zinc/73/00/62/555730062.db2.gz FCFLKVXKQIOJQX-OAHLLOKOSA-N -1 1 470.549 4.971 50 0 JJAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccccc2Br)cc1 ZINC000014246172 555748889 /nfs/dbraw/zinc/74/88/89/555748889.db2.gz UEEZAYOTEVWQPR-ZDUSSCGKSA-N -1 1 461.385 4.646 50 0 JJAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000011854951 555836706 /nfs/dbraw/zinc/83/67/06/555836706.db2.gz YKWCKQOFJACXMZ-UHFFFAOYSA-N -1 1 483.981 4.750 50 0 JJAAMM COc1ccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012112480 555908719 /nfs/dbraw/zinc/90/87/19/555908719.db2.gz JYVHQZIAVZKFNL-UHFFFAOYSA-N -1 1 479.583 4.649 50 0 JJAAMM Cc1ccc(CNC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012112475 555908756 /nfs/dbraw/zinc/90/87/56/555908756.db2.gz LEZHWYZMXXVCQB-UHFFFAOYSA-N -1 1 477.611 4.626 50 0 JJAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)N3CCCC[C@@H]3C)[n-]2)cc1 ZINC000012112516 555909311 /nfs/dbraw/zinc/90/93/11/555909311.db2.gz CUNYEUPZJMHLQR-SFHVURJKSA-N -1 1 469.632 4.711 50 0 JJAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)N3CCCC[C@H]3C)[n-]2)cc1 ZINC000012112515 555909393 /nfs/dbraw/zinc/90/93/93/555909393.db2.gz CUNYEUPZJMHLQR-GOSISDBHSA-N -1 1 469.632 4.711 50 0 JJAAMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000012137185 555914449 /nfs/dbraw/zinc/91/44/49/555914449.db2.gz IKGIHEYURYGAAG-UHFFFAOYSA-N -1 1 483.615 4.630 50 0 JJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(CNC(=O)c4sccc4C)c(C)o3)c2)cc1 ZINC000012151612 555924445 /nfs/dbraw/zinc/92/44/45/555924445.db2.gz VEHZDYINZZONLX-UHFFFAOYSA-N -1 1 497.598 4.759 50 0 JJAAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)C(C(=O)OC)=C(C)N2 ZINC000012377777 555966481 /nfs/dbraw/zinc/96/64/81/555966481.db2.gz NBMXOGNZIASUJO-NRFANRHFSA-N -1 1 499.596 4.739 50 0 JJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc2)cc1 ZINC000012526252 555994373 /nfs/dbraw/zinc/99/43/73/555994373.db2.gz IHLFFXGTUFEHKC-HNNXBMFYSA-N -1 1 489.391 4.750 50 0 JJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cncc(Br)c3)ccc2C)c1 ZINC000012535988 556008558 /nfs/dbraw/zinc/00/85/58/556008558.db2.gz JZCPJBACMFQQGF-UHFFFAOYSA-N -1 1 460.353 4.514 50 0 JJAAMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2c(=O)n1-c1ccc(F)cc1 ZINC000023143995 556022966 /nfs/dbraw/zinc/02/29/66/556022966.db2.gz IFBGSIHRSFPOMB-UHFFFAOYSA-N -1 1 459.502 4.787 50 0 JJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc(Cl)cc1F ZINC000012552639 556036044 /nfs/dbraw/zinc/03/60/44/556036044.db2.gz NPPFSWOSPIXEOC-UHFFFAOYSA-N -1 1 476.913 4.694 50 0 JJAAMM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(-c4cc5cc(Cl)ccc5[nH]4)cc3)ccc21 ZINC000015864040 556038643 /nfs/dbraw/zinc/03/86/43/556038643.db2.gz ARQJAINELKUYQP-UHFFFAOYSA-N -1 1 453.907 4.734 50 0 JJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1cc(Cl)ccc1F ZINC000012560672 556053019 /nfs/dbraw/zinc/05/30/19/556053019.db2.gz TVZWFMNZBIAHRZ-UHFFFAOYSA-N -1 1 476.913 4.694 50 0 JJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(Br)cc1 ZINC000015882232 556055521 /nfs/dbraw/zinc/05/55/21/556055521.db2.gz WVMIEGVXQUNDGJ-UHFFFAOYSA-N -1 1 473.396 4.697 50 0 JJAAMM COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])cc1OC ZINC000012562640 556056846 /nfs/dbraw/zinc/05/68/46/556056846.db2.gz MUQNWRLOIFULDD-XYOKQWHBSA-N -1 1 488.949 4.516 50 0 JJAAMM O=C(CCc1nc2ccccc2o1)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000012925294 556143360 /nfs/dbraw/zinc/14/33/60/556143360.db2.gz FVHIBXUKZAXXSN-UHFFFAOYSA-N -1 1 455.923 4.853 50 0 JJAAMM CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000012945206 556157015 /nfs/dbraw/zinc/15/70/15/556157015.db2.gz YILLZBCDFVBVSZ-UHFFFAOYSA-N -1 1 471.966 4.988 50 0 JJAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)c2)s1 ZINC000024905424 556162862 /nfs/dbraw/zinc/16/28/62/556162862.db2.gz BVKPROATLNJSSI-LADGPHEKSA-N -1 1 492.645 4.545 50 0 JJAAMM O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000025145793 556184449 /nfs/dbraw/zinc/18/44/49/556184449.db2.gz XUEDDZURSUECNS-AREMUKBSSA-N -1 1 482.565 4.883 50 0 JJAAMM O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000025145793 556184456 /nfs/dbraw/zinc/18/44/56/556184456.db2.gz XUEDDZURSUECNS-AREMUKBSSA-N -1 1 482.565 4.883 50 0 JJAAMM Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)n1 ZINC000017011713 556201413 /nfs/dbraw/zinc/20/14/13/556201413.db2.gz YQAPAJVMTZCEDA-UHFFFAOYSA-N -1 1 485.891 4.667 50 0 JJAAMM CC[C@@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3ccc(O)c(Cl)c3)[n-]c(=O)c21 ZINC000017196994 556238531 /nfs/dbraw/zinc/23/85/31/556238531.db2.gz USOGBZFNIPDVMJ-QHCPKHFHSA-N -1 1 455.967 4.751 50 0 JJAAMM Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000013039902 556241944 /nfs/dbraw/zinc/24/19/44/556241944.db2.gz HMCUFTWRMRUYFR-UHFFFAOYSA-N -1 1 475.522 4.895 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000017271398 556249958 /nfs/dbraw/zinc/24/99/58/556249958.db2.gz HKXAEAUIKFIDDD-UHFFFAOYSA-N -1 1 492.022 4.742 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(CC)c3)[n-]c2=O)cc1 ZINC000017271432 556250272 /nfs/dbraw/zinc/25/02/72/556250272.db2.gz YPGOKYIOXSNQHK-UHFFFAOYSA-N -1 1 485.631 4.651 50 0 JJAAMM CC(C)c1nnc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)s1 ZINC000026571092 556257050 /nfs/dbraw/zinc/25/70/50/556257050.db2.gz LXBRLVAZRBAEAC-UHFFFAOYSA-N -1 1 485.418 4.950 50 0 JJAAMM COc1ccc(Br)c(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)c1 ZINC000027527561 556288586 /nfs/dbraw/zinc/28/85/86/556288586.db2.gz APQDINWQUCBRCV-UHFFFAOYSA-N -1 1 484.737 4.872 50 0 JJAAMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Nc3cccs3)c2)cc(C(=O)OC)c1 ZINC000018194872 556301949 /nfs/dbraw/zinc/30/19/49/556301949.db2.gz JKVVCHHJFSNZPX-UHFFFAOYSA-N -1 1 480.951 4.519 50 0 JJAAMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H]1CCCc2ccccc21 ZINC000032754808 556487019 /nfs/dbraw/zinc/48/70/19/556487019.db2.gz MBNVHLVOOBCJBV-HSZRJFAPSA-N -1 1 456.514 4.915 50 0 JJAAMM O=C([O-])c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000032946824 556561910 /nfs/dbraw/zinc/56/19/10/556561910.db2.gz HOAGOZWBVGIAHE-UHFFFAOYSA-N -1 1 497.954 4.631 50 0 JJAAMM O=S(=O)([N-]c1cc2c(c3ccccc13)O[C@]1(N3CCOCC3)CCCC[C@@H]21)c1ccccc1 ZINC000019774764 563015158 /nfs/dbraw/zinc/01/51/58/563015158.db2.gz HFLXQNRSNZOBAL-JYFHCDHNSA-N -1 1 464.587 4.719 50 0 JJAAMM COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000008706637 569594474 /nfs/dbraw/zinc/59/44/74/569594474.db2.gz HYABCBOIFHCORP-UHFFFAOYSA-N -1 1 464.465 4.696 50 0 JJAAMM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3NC3CCCCC3)ccc2N1 ZINC000008720245 569597989 /nfs/dbraw/zinc/59/79/89/569597989.db2.gz VBHNTFYURXKICJ-UHFFFAOYSA-N -1 1 453.486 4.745 50 0 JJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000033026213 569620938 /nfs/dbraw/zinc/62/09/38/569620938.db2.gz IQSSAGCJSLDTMJ-UHFFFAOYSA-N -1 1 465.600 4.713 50 0 JJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000033026150 569620973 /nfs/dbraw/zinc/62/09/73/569620973.db2.gz OZZLEWGAFOZTNC-UHFFFAOYSA-N -1 1 471.991 4.749 50 0 JJAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(C)ccc3C)[n-]c2=O)cc1 ZINC000064591973 569622055 /nfs/dbraw/zinc/62/20/55/569622055.db2.gz QOADRFGTTOZQKL-UHFFFAOYSA-N -1 1 485.631 4.705 50 0 JJAAMM O=C1N(Cc2cc(F)cc(F)c2)CCCN1c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000034669517 569640695 /nfs/dbraw/zinc/64/06/95/569640695.db2.gz SLNFMCPUQZUFKM-UHFFFAOYSA-N -1 1 457.502 4.598 50 0 JJAAMM O=C(NC1CCC1)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059816 569654918 /nfs/dbraw/zinc/65/49/18/569654918.db2.gz UUOYVNJTLVZPKL-UHFFFAOYSA-N -1 1 457.939 4.610 50 0 JJAAMM CC(C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)nc1 ZINC000065063324 569656527 /nfs/dbraw/zinc/65/65/27/569656527.db2.gz GSCXMVWFCSFJLD-UHFFFAOYSA-N -1 1 490.379 4.575 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N4CCCCCC4)CC2)nc3=O)c1 ZINC000065314522 569672457 /nfs/dbraw/zinc/67/24/57/569672457.db2.gz VDCBHRFJZZTQOF-UHFFFAOYSA-N -1 1 450.608 4.579 50 0 JJAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(OC(C)C)cc4)no3)n2)c1 ZINC000065330966 569675087 /nfs/dbraw/zinc/67/50/87/569675087.db2.gz MPTIMQBVAFNZQI-UHFFFAOYSA-N -1 1 450.520 4.987 50 0 JJAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)Nc1cc(Cl)cc(Cl)c1 ZINC000067291665 569685729 /nfs/dbraw/zinc/68/57/29/569685729.db2.gz SNBCVTBYWZYTDE-UHFFFAOYSA-N -1 1 493.391 4.917 50 0 JJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1OC ZINC000035684008 569706805 /nfs/dbraw/zinc/70/68/05/569706805.db2.gz ZWFITLZKKQGBIU-QHCPKHFHSA-N -1 1 463.559 4.584 50 0 JJAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 ZINC000089774659 569719733 /nfs/dbraw/zinc/71/97/33/569719733.db2.gz XRLVNFFSYKVSEH-UHFFFAOYSA-N -1 1 457.360 4.595 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC2)nc3=O)c1 ZINC000085825084 569715673 /nfs/dbraw/zinc/71/56/73/569715673.db2.gz HXCUKKRRQJWQDS-UTKZUKDTSA-N -1 1 464.635 4.871 50 0 JJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cccc5nccnc53)CC(=O)O4)c2=O)cc1 ZINC000085878052 569716060 /nfs/dbraw/zinc/71/60/60/569716060.db2.gz YQMOFDAQHRODIT-QGZVFWFLSA-N -1 1 466.449 4.558 50 0 biogenic JJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cccc3nccnc32)cc1 ZINC000085878052 569716062 /nfs/dbraw/zinc/71/60/62/569716062.db2.gz YQMOFDAQHRODIT-QGZVFWFLSA-N -1 1 466.449 4.558 50 0 biogenic JJAAMM CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000086057038 569717053 /nfs/dbraw/zinc/71/70/53/569717053.db2.gz UTJGHYDDGFMBBX-SFHVURJKSA-N -1 1 465.575 4.642 50 0 JJAAMM CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000086057366 569717255 /nfs/dbraw/zinc/71/72/55/569717255.db2.gz GAUNOKAUURSLJT-INIZCTEOSA-N -1 1 455.967 4.979 50 0 JJAAMM CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000086057458 569717289 /nfs/dbraw/zinc/71/72/89/569717289.db2.gz PBKAJSMIWABNMN-QGZVFWFLSA-N -1 1 455.967 4.979 50 0 JJAAMM CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000086057666 569717427 /nfs/dbraw/zinc/71/74/27/569717427.db2.gz MHIGAZWMOJSNPY-QGZVFWFLSA-N -1 1 453.539 4.854 50 0 JJAAMM CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)ccc1OC ZINC000086057583 569717445 /nfs/dbraw/zinc/71/74/45/569717445.db2.gz OYPHSMCMXSXIKF-MRXNPFEDSA-N -1 1 471.966 4.597 50 0 JJAAMM O=C1C[C@@H](c2ccc(F)c(Br)c2)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1 ZINC000086057699 569717515 /nfs/dbraw/zinc/71/75/15/569717515.db2.gz IGQLNQHIQWGYFV-LBPRGKRZSA-N -1 1 478.318 4.577 50 0 JJAAMM O=C1C[C@@H](c2ccc(F)c(Br)c2)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1 ZINC000086057821 569717631 /nfs/dbraw/zinc/71/76/31/569717631.db2.gz GWFMJEYPBRWVIG-ZDUSSCGKSA-N -1 1 478.318 4.577 50 0 JJAAMM CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000086057775 569717634 /nfs/dbraw/zinc/71/76/34/569717634.db2.gz NBEVBNHGJVXTAE-GOSISDBHSA-N -1 1 453.539 4.854 50 0 JJAAMM Cc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(O)cc6)coc-5c43)c(=O)c2c1 ZINC000096114782 569733841 /nfs/dbraw/zinc/73/38/41/569733841.db2.gz NYMNAARJAWTVJU-INIZCTEOSA-N -1 1 482.444 4.727 50 0 biogenic JJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1ccc(F)c(F)c1F)CC(=O)O2 ZINC000096115711 569734714 /nfs/dbraw/zinc/73/47/14/569734714.db2.gz ZPIVVUOUQNSWHD-CYBMUJFWSA-N -1 1 454.356 4.730 50 0 biogenic JJAAMM COc1ccc(-c2n[nH]cc2[C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000096118195 569735929 /nfs/dbraw/zinc/73/59/29/569735929.db2.gz SGZLHMXLQUYNTL-FOIQADDNSA-N -1 1 453.568 4.591 50 0 JJAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc2c(c1)OCO2 ZINC000100081927 569752641 /nfs/dbraw/zinc/75/26/41/569752641.db2.gz NUCQLNBXDZQCDU-JWQCQUIFSA-N -1 1 480.524 4.577 50 0 JJAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000100821719 569771320 /nfs/dbraw/zinc/77/13/20/569771320.db2.gz WKGNZZJCQIXKFV-GOSISDBHSA-N -1 1 453.951 4.720 50 0 JJAAMM CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)[N-]C(=S)N2C(C)=O)cc1C ZINC000101337906 569793476 /nfs/dbraw/zinc/79/34/76/569793476.db2.gz DOAQGDNPAWJRPG-JCMHNJIXSA-N -1 1 474.586 4.631 50 0 JJAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@H](c2cccc(O)c2)C1 ZINC000101494875 569800157 /nfs/dbraw/zinc/80/01/57/569800157.db2.gz ZKKMQUNYQZNBLP-NRFANRHFSA-N -1 1 491.956 4.948 50 0 JJAAMM COc1ccccc1-n1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O ZINC000101766770 569804705 /nfs/dbraw/zinc/80/47/05/569804705.db2.gz TXDMKSOPZZFJGU-QFIPXVFZSA-N -1 1 489.528 4.737 50 0 JJAAMM C[C@H](CCc1ccccc1)NC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828594 569805458 /nfs/dbraw/zinc/80/54/58/569805458.db2.gz QCUHPJBGWVLPHC-QGZVFWFLSA-N -1 1 454.505 4.709 50 0 JJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3ccccc3C)nn2c1=O ZINC000101878505 569806800 /nfs/dbraw/zinc/80/68/00/569806800.db2.gz LVBCFVNJXMTSJQ-UHFFFAOYSA-N -1 1 463.969 4.877 50 0 JJAAMM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000102707651 569816791 /nfs/dbraw/zinc/81/67/91/569816791.db2.gz JUSZSBMTAKZIPZ-UODIDJSMSA-N -1 1 450.494 4.900 50 0 JJAAMM CCOC(=O)C(=C([O-])CSc1nc(-c2ccco2)nc2ccccc21)c1nc(C)cs1 ZINC000103035069 569832142 /nfs/dbraw/zinc/83/21/42/569832142.db2.gz MPJFLBMNOAYEEN-SFHVURJKSA-N -1 1 453.545 4.663 50 0 JJAAMM Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccc(C)cc5)c4[n-]3)C2)cc1 ZINC000049421274 569847133 /nfs/dbraw/zinc/84/71/33/569847133.db2.gz GDKJOTDOJRNMBU-OAQYLSRUSA-N -1 1 472.614 4.801 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCc4cccs4)CC2)nc3=O)c1 ZINC000049421386 569847221 /nfs/dbraw/zinc/84/72/21/569847221.db2.gz KODPYVUPZYJTQB-UHFFFAOYSA-N -1 1 464.616 4.554 50 0 JJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCc4cc(F)cc(F)c4)CC2)nc3=O)c1 ZINC000049421381 569847311 /nfs/dbraw/zinc/84/73/11/569847311.db2.gz UFZADOQWTLOXNR-UHFFFAOYSA-N -1 1 494.567 4.771 50 0 JJAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCCC4=CCCCC4)C2)nc3=O)c1 ZINC000049421345 569847317 /nfs/dbraw/zinc/84/73/17/569847317.db2.gz GOIHXQMKNKPPMZ-HXUWFJFHSA-N -1 1 492.645 4.883 50 0 JJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2)cc1 ZINC000110559653 569860881 /nfs/dbraw/zinc/86/08/81/569860881.db2.gz ZWZMWDYIVDJLHN-VEXUSMLFSA-N -1 1 487.618 4.957 50 0 JJAAMM Cc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3ccccc3[N-]S(=O)(=O)c3ccccc3)C2)o1 ZINC000242001150 570053501 /nfs/dbraw/zinc/05/35/01/570053501.db2.gz VDHJNKWARIBIQY-QFIPXVFZSA-N -1 1 451.548 4.723 50 0 JJAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1O ZINC000253414615 570098464 /nfs/dbraw/zinc/09/84/64/570098464.db2.gz XZEXDJKODCJEDI-OAHLLOKOSA-N -1 1 464.857 4.974 50 0 JJAAMM C[C@@H]1CCC[C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)[C@H]1C ZINC000253530789 570102972 /nfs/dbraw/zinc/10/29/72/570102972.db2.gz BLIWWUJHCCVMBN-QEEYODRMSA-N -1 1 465.413 4.804 50 0 JJAAMM