smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000005045352 204187281 /nfs/dbraw/zinc/18/72/81/204187281.db2.gz DSSABWIXLHYFOQ-CQSZACIVSA-N -1 1 365.458 3.865 40 0 FHABMM O=S(=O)([N-]c1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1 ZINC000005681620 204220659 /nfs/dbraw/zinc/22/06/59/204220659.db2.gz ACGFTZWGKHQMRF-UHFFFAOYSA-N -1 1 351.387 3.691 40 0 FHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)ccc1Cl ZINC000156741966 206221659 /nfs/dbraw/zinc/22/16/59/206221659.db2.gz OSYLZBHWZWBPNP-UHFFFAOYSA-N -1 1 367.854 3.853 40 0 FHABMM O=C(Nc1cccc(F)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008287582 206246603 /nfs/dbraw/zinc/24/66/03/206246603.db2.gz CGDBUJMEEJQOQP-UHFFFAOYSA-N -1 1 370.405 3.879 40 0 FHABMM O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223919130 206451272 /nfs/dbraw/zinc/45/12/72/206451272.db2.gz KUNOWUQTXFCSCT-UHFFFAOYSA-N -1 1 370.405 3.879 40 0 FHABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC000019936847 220306801 /nfs/dbraw/zinc/30/68/01/220306801.db2.gz IVGFTCSPPQCYEW-UHFFFAOYSA-N -1 1 374.462 3.540 40 0 FHABMM O=C([O-])[C@@H]1CN[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 ZINC000408980066 263514422 /nfs/dbraw/zinc/51/44/22/263514422.db2.gz UIGVPKRHTLEJMO-ROUUACIJSA-N -1 1 356.422 3.617 40 0 FHABMM CCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000409410025 263556664 /nfs/dbraw/zinc/55/66/64/263556664.db2.gz KOYNAZFIVZFKIH-UHFFFAOYSA-N -1 1 360.479 3.634 40 0 FHABMM CC(C)c1nc(Cc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)no1 ZINC000222983826 568585747 /nfs/dbraw/zinc/58/57/47/568585747.db2.gz MPXNUUISRCRVQK-UHFFFAOYSA-N -1 1 357.435 3.585 40 0 FHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1Cl ZINC000408615246 570584950 /nfs/dbraw/zinc/58/49/50/570584950.db2.gz NYUGBUSTZAPVEE-UHFFFAOYSA-N -1 1 355.843 3.937 40 0 FHABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013673588 570783744 /nfs/dbraw/zinc/78/37/44/570783744.db2.gz HDQSBWAGJAJKAW-UHFFFAOYSA-N -1 1 353.827 3.626 40 0 FHABMM CCCc1n[n-]c(=S)n1NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007602350 570791441 /nfs/dbraw/zinc/79/14/41/570791441.db2.gz SZOBUESYDLZYJL-GFCCVEGCSA-N -1 1 358.467 3.950 40 0 FHABMM FC(F)(F)c1ccccc1CNn1c(=S)[n-]nc1-c1ccncc1 ZINC000007602026 570791511 /nfs/dbraw/zinc/79/15/11/570791511.db2.gz YYJLSQVHGBOEEY-UHFFFAOYSA-N -1 1 351.357 3.765 40 0 FHABMM COc1cc(CNn2c(C)n[n-]c2=S)ccc1OCc1ccc(C)cc1 ZINC000008550157 570795460 /nfs/dbraw/zinc/79/54/60/570795460.db2.gz IYPXFBVKZQXYLW-UHFFFAOYSA-N -1 1 370.478 3.889 40 0 FHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1F ZINC000032586114 570864508 /nfs/dbraw/zinc/86/45/08/570864508.db2.gz UBLHRAURFHZPRM-UHFFFAOYSA-N -1 1 374.231 3.706 40 0 FHABMM CCN(CC)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020456890 570917004 /nfs/dbraw/zinc/91/70/04/570917004.db2.gz NGRHWCFEVKZJEO-UHFFFAOYSA-N -1 1 366.870 3.623 40 0 FHABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000020492647 570918639 /nfs/dbraw/zinc/91/86/39/570918639.db2.gz XVYJCDFOEPSXNH-UHFFFAOYSA-N -1 1 372.490 3.793 40 0 FHABMM Cc1cc2nn(-c3ccccc3)nc2cc1[N-]S(=O)(=O)c1ccccc1 ZINC000020610940 570921603 /nfs/dbraw/zinc/92/16/03/570921603.db2.gz NLOLAUAVRAEREG-UHFFFAOYSA-N -1 1 364.430 3.530 40 0 FHABMM COc1cccc2c(C)nc(Nc3nc(C)c(CCC(C)C)c(=O)[n-]3)nc12 ZINC000020673183 570922954 /nfs/dbraw/zinc/92/29/54/570922954.db2.gz WBSGUGCEKANONB-UHFFFAOYSA-N -1 1 367.453 3.671 40 0 FHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022534916 570946545 /nfs/dbraw/zinc/94/65/45/570946545.db2.gz OLUROQUZQNRSEL-UHFFFAOYSA-N -1 1 353.827 3.626 40 0 FHABMM CCC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224026814 570974890 /nfs/dbraw/zinc/97/48/90/570974890.db2.gz OBNPKFIPFXRMDV-UHFFFAOYSA-N -1 1 360.479 3.714 40 0 FHABMM Cc1cc(C(=O)N[C@@H](C)C(C)C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000225205033 571021421 /nfs/dbraw/zinc/02/14/21/571021421.db2.gz OURBIOOXCFSIJN-HNNXBMFYSA-N -1 1 360.479 3.570 40 0 FHABMM Cc1nc([N-]c2nncs2)cc([C@@H]2CCCN2Cc2ccccc2)n1 ZINC000072360101 571184084 /nfs/dbraw/zinc/18/40/84/571184084.db2.gz CKSAYASFOWJGCB-INIZCTEOSA-N -1 1 352.467 3.717 40 0 FHABMM CCC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010314711 571302904 /nfs/dbraw/zinc/30/29/04/571302904.db2.gz LWUOMOJCRIOIQW-CQSZACIVSA-N -1 1 360.479 3.714 40 0 FHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1 ZINC000008202689 204322084 /nfs/dbraw/zinc/32/20/84/204322084.db2.gz HVBJNBXKXHTJRW-UHFFFAOYSA-N -1 1 372.490 3.858 40 0 FHABMM CCc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[n-]c(=O)c1C ZINC000004861222 206182267 /nfs/dbraw/zinc/18/22/67/206182267.db2.gz MYFWKMXIZSNGDZ-UHFFFAOYSA-N -1 1 372.277 3.678 40 0 FHABMM N=c1oc2cc([O-])ccc2cc1C(=O)Nc1ccc(Br)cc1 ZINC000004866105 206183952 /nfs/dbraw/zinc/18/39/52/206183952.db2.gz QTLIUNCITNUHDB-UHFFFAOYSA-N -1 1 359.179 3.633 40 0 FHABMM CCCC[C@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000102727383 206229396 /nfs/dbraw/zinc/22/93/96/206229396.db2.gz SXZFTHLDQXMSFV-XUVXKRRUSA-N -1 1 364.445 3.864 40 0 FHABMM CC1(C)C=Cc2c(O)ccc([C@@H]3CC(=O)c4c(O)cc([O-])cc4O3)c2O1 ZINC000014690583 560224412 /nfs/dbraw/zinc/22/44/12/560224412.db2.gz QPAKXSCQEJXHSW-INIZCTEOSA-N -1 1 354.358 3.694 40 0 biogenic,in-vitro FHABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)cc1 ZINC000223254983 568630763 /nfs/dbraw/zinc/63/07/63/568630763.db2.gz BELARAIMFSMZCJ-UHFFFAOYSA-N -1 1 357.435 3.585 40 0 FHABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000223272646 568632859 /nfs/dbraw/zinc/63/28/59/568632859.db2.gz UPSFZOGSVYKFBF-UHFFFAOYSA-N -1 1 360.479 3.595 40 0 FHABMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2SC)cc1 ZINC000223432740 568654435 /nfs/dbraw/zinc/65/44/35/568654435.db2.gz FSRKNBFFGYYFFH-UHFFFAOYSA-N -1 1 357.884 3.549 40 0 FHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1C ZINC000223798410 568731995 /nfs/dbraw/zinc/73/19/95/568731995.db2.gz WLRYNYFTZSSPBX-UHFFFAOYSA-N -1 1 353.827 3.544 40 0 FHABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000101983961 570513974 /nfs/dbraw/zinc/51/39/74/570513974.db2.gz XXUNMLVXMWONRB-WOJBJXKFSA-N -1 1 374.444 3.700 40 0 FHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408584007 570563317 /nfs/dbraw/zinc/56/33/17/570563317.db2.gz LDSJZQHRWSPWPG-UHFFFAOYSA-N -1 1 361.467 3.573 40 0 FHABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000012198491 570726817 /nfs/dbraw/zinc/72/68/17/570726817.db2.gz XSDJARHZQAXLKN-UHFFFAOYSA-N -1 1 372.490 3.739 40 0 FHABMM CCOCc1nnc([N-]C(=O)c2c(C)onc2-c2cccc(C)c2)s1 ZINC000012202179 570727291 /nfs/dbraw/zinc/72/72/91/570727291.db2.gz RGBWYJBSGDWZKS-UHFFFAOYSA-N -1 1 358.423 3.599 40 0 FHABMM Cc1nc2cc([C@H]3CCCCN3Cc3ccc(F)cc3)[n-]n2c(=O)c1C ZINC000012337772 570737845 /nfs/dbraw/zinc/73/78/45/570737845.db2.gz LRJUCWJOTQNHRN-GOSISDBHSA-N -1 1 354.429 3.918 40 0 FHABMM S=c1[n-]nc(-c2ccncc2)n1NCc1cccc(Br)c1 ZINC000007601845 570791488 /nfs/dbraw/zinc/79/14/88/570791488.db2.gz ZZBCTQQZVJUBTE-UHFFFAOYSA-N -1 1 362.256 3.509 40 0 FHABMM O=c1c2c([n-]n1-c1ccc(F)cc1)nc(-c1cccc3ccccc31)cc2O ZINC000008021158 570794132 /nfs/dbraw/zinc/79/41/32/570794132.db2.gz KXGNIMZDXRTSOZ-UHFFFAOYSA-N -1 1 371.371 3.966 40 0 FHABMM CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000016601544 570858727 /nfs/dbraw/zinc/85/87/27/570858727.db2.gz YCBJKIXSETXZJQ-CYBMUJFWSA-N -1 1 364.442 3.545 40 0 FHABMM CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000022531326 570945998 /nfs/dbraw/zinc/94/59/98/570945998.db2.gz CDKLTFANQQWGGL-LBPRGKRZSA-N -1 1 366.870 3.669 40 0 FHABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000024256390 570973535 /nfs/dbraw/zinc/97/35/35/570973535.db2.gz BZXDIULJGBIOKJ-UHFFFAOYSA-N -1 1 360.218 3.581 40 0 FHABMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000223999805 570974407 /nfs/dbraw/zinc/97/44/07/570974407.db2.gz KKKQQGMUVNKAEO-UHFFFAOYSA-N -1 1 360.479 3.714 40 0 FHABMM CC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224027492 570975011 /nfs/dbraw/zinc/97/50/11/570975011.db2.gz VQTIMXQROUFRPV-LBPRGKRZSA-N -1 1 366.870 3.669 40 0 FHABMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030858437 571051227 /nfs/dbraw/zinc/05/12/27/571051227.db2.gz YFDIKTRSNCIVCV-LBPRGKRZSA-N -1 1 366.870 3.669 40 0 FHABMM Cc1csc([N-]c2nccnc2[C@H]2CCCN(C(=O)CC(C)C)C2)n1 ZINC000072363562 571184685 /nfs/dbraw/zinc/18/46/85/571184685.db2.gz VWRZOIXVUQXPTJ-AWEZNQCLSA-N -1 1 359.499 3.737 40 0 FHABMM CCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314998 571303029 /nfs/dbraw/zinc/30/30/29/571303029.db2.gz IBZUTQAWGIZGBG-HNNXBMFYSA-N -1 1 360.479 3.714 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2C)c1 ZINC000017172607 571303888 /nfs/dbraw/zinc/30/38/88/571303888.db2.gz ZPLNTOHQVQHLGL-UHFFFAOYSA-N -1 1 374.506 3.880 40 0 FHABMM CCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000028491820 571305286 /nfs/dbraw/zinc/30/52/86/571305286.db2.gz RRLGMQWDRKIMJW-UHFFFAOYSA-N -1 1 360.479 3.634 40 0 FHABMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1N1CCCC1=O ZINC000005329298 204203533 /nfs/dbraw/zinc/20/35/33/204203533.db2.gz LCTOQDMSZJAPGK-UHFFFAOYSA-N -1 1 364.854 3.576 40 0 FHABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007708710 204304128 /nfs/dbraw/zinc/30/41/28/204304128.db2.gz JREVJWRQSCZXTH-UHFFFAOYSA-N -1 1 364.854 3.576 40 0 FHABMM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000119566893 206105861 /nfs/dbraw/zinc/10/58/61/206105861.db2.gz LJGVCXXJRZHMQI-UHFFFAOYSA-N -1 1 354.737 3.764 40 0 FHABMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc3ccccc31)CC(=O)N2 ZINC000004944293 206185833 /nfs/dbraw/zinc/18/58/33/206185833.db2.gz UCIPDVALXWVEJL-AWEZNQCLSA-N -1 1 351.431 3.509 40 0 FHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1F ZINC000009903428 206248494 /nfs/dbraw/zinc/24/84/94/206248494.db2.gz AYWDIQVAHUDIKI-UHFFFAOYSA-N -1 1 370.405 3.879 40 0 FHABMM CCOc1ccc(CNn2c(=S)[n-]nc2-c2ccccc2)cc1OC ZINC000008324757 263354536 /nfs/dbraw/zinc/35/45/36/263354536.db2.gz BXDMHQYPBGBETH-UHFFFAOYSA-N -1 1 356.451 3.759 40 0 FHABMM Cc1cc(C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010369352 263364926 /nfs/dbraw/zinc/36/49/26/263364926.db2.gz KLTBRWJIRGYVMJ-UHFFFAOYSA-N -1 1 372.490 3.858 40 0 FHABMM CCC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314652 263365321 /nfs/dbraw/zinc/36/53/21/263365321.db2.gz CKWHIJDYKQYWKR-HNNXBMFYSA-N -1 1 360.479 3.714 40 0 FHABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(C)C)ccc21 ZINC000223188700 568623896 /nfs/dbraw/zinc/62/38/96/568623896.db2.gz ANHRLNBZVPEXHC-UHFFFAOYSA-N -1 1 372.490 3.910 40 0 FHABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1Cl ZINC000223674825 568697164 /nfs/dbraw/zinc/69/71/64/568697164.db2.gz FZICPXJYBTWMFC-UHFFFAOYSA-N -1 1 367.854 3.934 40 0 FHABMM O=C(Nc1ccccc1)C(=O)C(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000100929035 570509228 /nfs/dbraw/zinc/50/92/28/570509228.db2.gz FUYYKUADWBCTLK-UHFFFAOYSA-N -1 1 371.392 3.576 40 0 FHABMM CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000408549366 570534520 /nfs/dbraw/zinc/53/45/20/570534520.db2.gz YIBIQAZRVAKROJ-OAHLLOKOSA-N -1 1 360.479 3.714 40 0 FHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c1 ZINC000408598263 570574346 /nfs/dbraw/zinc/57/43/46/570574346.db2.gz YNQBIZBWDKNFBW-UHFFFAOYSA-N -1 1 372.490 3.649 40 0 FHABMM CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000016601542 570858760 /nfs/dbraw/zinc/85/87/60/570858760.db2.gz ZXSOQIDCLBNHMB-HNNXBMFYSA-N -1 1 360.479 3.714 40 0 FHABMM CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223939361 570972536 /nfs/dbraw/zinc/97/25/36/570972536.db2.gz VODKFRUMVPOCEL-OAHLLOKOSA-N -1 1 360.479 3.714 40 0 FHABMM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(NC(C)=O)c3)ccc2c1 ZINC000224029070 570974929 /nfs/dbraw/zinc/97/49/29/570974929.db2.gz BZQJOJIVMKIWKR-UHFFFAOYSA-N -1 1 370.430 3.608 40 0 FHABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000225144515 571018523 /nfs/dbraw/zinc/01/85/23/571018523.db2.gz AGAHZNBARQTBKG-UHFFFAOYSA-N -1 1 360.218 3.581 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)C(C)C)cc2C)cc1 ZINC000225205125 571021931 /nfs/dbraw/zinc/02/19/31/571021931.db2.gz QUJQHAMSVCJIOB-INIZCTEOSA-N -1 1 374.506 3.879 40 0 FHABMM O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)o1 ZINC000257276686 571157306 /nfs/dbraw/zinc/15/73/06/571157306.db2.gz NUSJEWUCBCGLSZ-OAHLLOKOSA-N -1 1 363.417 3.814 40 0 FHABMM Cn1cncc1-c1cccc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)[O-])c2)n1 ZINC000257279316 571157523 /nfs/dbraw/zinc/15/75/23/571157523.db2.gz OGAMLUBVOWXLGC-LJQANCHMSA-N -1 1 362.433 3.517 40 0 FHABMM CCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314997 571303077 /nfs/dbraw/zinc/30/30/77/571303077.db2.gz IBZUTQAWGIZGBG-OAHLLOKOSA-N -1 1 360.479 3.714 40 0 FHABMM CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000107945487 571307068 /nfs/dbraw/zinc/30/70/68/571307068.db2.gz VLTAGRWHCBHRFP-OAHLLOKOSA-N -1 1 374.506 3.941 40 0 FHABMM C[C@](O)(c1ccccc1)c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000006013621 204234017 /nfs/dbraw/zinc/23/40/17/204234017.db2.gz NRPTYJGKSNGZCG-FQEVSTJZSA-N -1 1 353.443 3.743 40 0 FHABMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000007307190 204294326 /nfs/dbraw/zinc/29/43/26/204294326.db2.gz NHTLNTZURVFXJD-SFHVURJKSA-N -1 1 356.447 3.668 40 0 FHABMM COc1ccc(C2=NN(c3nc(C)cc(=O)[n-]3)[C@@H](c3cccs3)C2)cc1 ZINC000016283578 204634744 /nfs/dbraw/zinc/63/47/44/204634744.db2.gz OMLGOJNHFRIVNF-MRXNPFEDSA-N -1 1 366.446 3.504 40 0 FHABMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000000828187 206134839 /nfs/dbraw/zinc/13/48/39/206134839.db2.gz YHNZSUUELVOYDA-UHFFFAOYSA-N -1 1 360.218 3.565 40 0 FHABMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc3ccccc3c1)CC(=O)N2 ZINC000004944285 206184986 /nfs/dbraw/zinc/18/49/86/206184986.db2.gz JQLMTQGCYXKFFM-AWEZNQCLSA-N -1 1 351.431 3.509 40 0 FHABMM 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ZINC000007602351 570791327 /nfs/dbraw/zinc/79/13/27/570791327.db2.gz SZOBUESYDLZYJL-LBPRGKRZSA-N -1 1 358.467 3.950 40 0 FHABMM CCOc1cc(CNn2cn[n-]c2=S)ccc1OCc1cccs1 ZINC000008254771 570794499 /nfs/dbraw/zinc/79/44/99/570794499.db2.gz MTZOVPOVHFVCTQ-UHFFFAOYSA-N -1 1 362.480 3.724 40 0 FHABMM CC(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224027571 570974993 /nfs/dbraw/zinc/97/49/93/570974993.db2.gz YSTRYHHQTYXOJB-UHFFFAOYSA-N -1 1 366.870 3.527 40 0 FHABMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccccc1)c1cccc(C)c1 ZINC000224771922 571000365 /nfs/dbraw/zinc/00/03/65/571000365.db2.gz CLCKAWKIJASZOE-SFHVURJKSA-N -1 1 356.447 3.668 40 0 FHABMM CSc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1NC(C)=O ZINC000225261797 571024877 /nfs/dbraw/zinc/02/48/77/571024877.db2.gz LPHDHAOQBBRWFO-UHFFFAOYSA-N -1 1 364.492 3.785 40 0 FHABMM CCn1c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2sc1=O ZINC000225686746 571055877 /nfs/dbraw/zinc/05/58/77/571055877.db2.gz IJHFYMPQSPLLOZ-UHFFFAOYSA-N -1 1 362.476 3.501 40 0 FHABMM CC(=O)c1ccc(-c2ccc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])o2)cc1 ZINC000033531582 571084846 /nfs/dbraw/zinc/08/48/46/571084846.db2.gz ZJTDNRKDJAKASB-SXGWCWSVSA-N -1 1 369.402 3.794 40 0 FHABMM CC(=O)c1ccc(-c2ccc(C=C(Sc3n[nH]c(C)n3)C(=O)[O-])o2)cc1 ZINC000033531582 571084848 /nfs/dbraw/zinc/08/48/48/571084848.db2.gz ZJTDNRKDJAKASB-SXGWCWSVSA-N -1 1 369.402 3.794 40 0 FHABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1C ZINC000033708287 571085151 /nfs/dbraw/zinc/08/51/51/571085151.db2.gz AHJNJURWAGRZFK-UHFFFAOYSA-N -1 1 360.479 3.633 40 0 FHABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN(C(=O)C(C)C)C3)n2)s1 ZINC000257302416 571159608 /nfs/dbraw/zinc/15/96/08/571159608.db2.gz SCWOVJOBGZECGQ-CYBMUJFWSA-N -1 1 359.499 3.601 40 0 FHABMM CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000006553211 571296718 /nfs/dbraw/zinc/29/67/18/571296718.db2.gz MUOBXAOSGDGQOU-UHFFFAOYSA-N -1 1 360.479 3.586 40 0 FHABMM CCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010369605 571303340 /nfs/dbraw/zinc/30/33/40/571303340.db2.gz BSAGABLQBJDUBH-UHFFFAOYSA-N -1 1 360.479 3.634 40 0 FHABMM Cc1sc(N2CCOCC2)nc1-c1cc(C)cc(Br)c1[O-] ZINC000005534562 204213755 /nfs/dbraw/zinc/21/37/55/204213755.db2.gz QMAPHSRCULZKQE-UHFFFAOYSA-N -1 1 369.284 3.732 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](C)C3)c2)cc1 ZINC000010112570 204390712 /nfs/dbraw/zinc/39/07/12/204390712.db2.gz REJHWBXNXNMRLE-MRXNPFEDSA-N -1 1 372.490 3.668 40 0 FHABMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000055632440 205221920 /nfs/dbraw/zinc/22/19/20/205221920.db2.gz UCQUOXDPRRRRQK-UHFFFAOYSA-N -1 1 366.870 3.669 40 0 FHABMM O=C(NC1CCCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008202156 206246236 /nfs/dbraw/zinc/24/62/36/206246236.db2.gz IOJWVIQQEAWZQP-UHFFFAOYSA-N -1 1 358.463 3.550 40 0 FHABMM CC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000014257528 206309135 /nfs/dbraw/zinc/30/91/35/206309135.db2.gz MXSRPWHDGQVOHM-UHFFFAOYSA-N -1 1 355.419 3.650 40 0 FHABMM CCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000005978330 263344090 /nfs/dbraw/zinc/34/40/90/263344090.db2.gz ZFLBTZIZJTXMJH-UHFFFAOYSA-N -1 1 360.479 3.634 40 0 FHABMM CCOc1ccc(CNn2c(=S)[n-]nc2-c2ccncc2)cc1OCC ZINC000008324960 263354215 /nfs/dbraw/zinc/35/42/15/263354215.db2.gz MOTCTUOCDNOVIN-UHFFFAOYSA-N -1 1 371.466 3.544 40 0 FHABMM CCOc1ccccc1CNn1c(=S)[n-]nc1-c1ccccc1OC ZINC000008325616 263354464 /nfs/dbraw/zinc/35/44/64/263354464.db2.gz OCMKUPBRKYAYDW-UHFFFAOYSA-N -1 1 356.451 3.759 40 0 FHABMM CCN(CC)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010313862 263364389 /nfs/dbraw/zinc/36/43/89/263364389.db2.gz YPWDFHYLVDPCCB-UHFFFAOYSA-N -1 1 360.479 3.586 40 0 FHABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c1 ZINC000408587210 263476197 /nfs/dbraw/zinc/47/61/97/263476197.db2.gz BCPTWAGYSJMIKI-UHFFFAOYSA-N -1 1 372.490 3.649 40 0 FHABMM Cc1ccc2c(c1)[C@H](CCO)O[C@H]([C@H](C)c1cc([O-])c(C)c(=O)o1)[C@@H]2C ZINC000514288048 560035594 /nfs/dbraw/zinc/03/55/94/560035594.db2.gz KYRDITCXPNFIBT-MPBPYYHOSA-N -1 1 358.434 3.692 40 0 biogenic,in-vitro FHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1NC(C)=O ZINC000223797734 568732072 /nfs/dbraw/zinc/73/20/72/568732072.db2.gz NETYNGXEPIHVRP-UHFFFAOYSA-N -1 1 364.492 3.785 40 0 FHABMM Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000001176175 570488487 /nfs/dbraw/zinc/48/84/87/570488487.db2.gz KIDLXHQRJDEVPN-QGOAFFKASA-N -1 1 359.454 3.798 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2C)c1 ZINC000006858614 570567537 /nfs/dbraw/zinc/56/75/37/570567537.db2.gz XXBOFDKSYZORMP-UHFFFAOYSA-N -1 1 360.479 3.633 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)NC(C)C ZINC000408598236 570574342 /nfs/dbraw/zinc/57/43/42/570574342.db2.gz YHWKRHMPGMNRFD-UHFFFAOYSA-N -1 1 366.870 3.587 40 0 FHABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000408597640 570574350 /nfs/dbraw/zinc/57/43/50/570574350.db2.gz ZTFAGZUZLPLNHY-UHFFFAOYSA-N -1 1 365.430 3.500 40 0 FHABMM CCN(CC)C(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000409365353 570752854 /nfs/dbraw/zinc/75/28/54/570752854.db2.gz YTRORJYZNJNZBG-UHFFFAOYSA-N -1 1 374.506 3.597 40 0 FHABMM Cc1ccc(-c2nc(SCc3ccccc3)[n-]c(=O)c2CCO)cc1 ZINC000016981389 570864517 /nfs/dbraw/zinc/86/45/17/570864517.db2.gz MMKBRXXCKNYUMD-UHFFFAOYSA-N -1 1 352.459 3.572 40 0 in-vivo FHABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCCCCC2)c1 ZINC000223934650 570972072 /nfs/dbraw/zinc/97/20/72/570972072.db2.gz CEPQFQXVIVEABL-UHFFFAOYSA-N -1 1 372.490 3.812 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)C(C)C)cc2)cc1 ZINC000225199612 571021475 /nfs/dbraw/zinc/02/14/75/571021475.db2.gz JDDGAYXKGXJYRX-OAHLLOKOSA-N -1 1 360.479 3.570 40 0 FHABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1 ZINC000028196005 571027566 /nfs/dbraw/zinc/02/75/66/571027566.db2.gz XTGFYPMNMOKODF-UHFFFAOYSA-N -1 1 355.415 3.736 40 0 FHABMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010370434 571303280 /nfs/dbraw/zinc/30/32/80/571303280.db2.gz HLFWPMCWFBRPJK-HNNXBMFYSA-N -1 1 360.479 3.633 40 0 FHABMM CC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010364830 571303335 /nfs/dbraw/zinc/30/33/35/571303335.db2.gz DMEJADKCYUZIKS-AWEZNQCLSA-N -1 1 360.479 3.633 40 0 FHABMM O=C1[C@@H]2Sc3ccccc3NC2=C([O-])N1c1ccccc1C(F)(F)F ZINC000001624098 204014843 /nfs/dbraw/zinc/01/48/43/204014843.db2.gz YBQRTYUDGSJFHG-ZIAGYGMSSA-N -1 1 364.348 3.534 40 0 FHABMM CSc1ccc([C@H](C)NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1 ZINC000019937349 220306699 /nfs/dbraw/zinc/30/66/99/220306699.db2.gz OTSNAYCNXWFETA-ZDUSSCGKSA-N -1 1 365.458 3.650 40 0 FHABMM O=C(Nc1c(Cl)cccc1Cl)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937234 220306741 /nfs/dbraw/zinc/30/67/41/220306741.db2.gz YUBDBWUJQWECMX-UHFFFAOYSA-N -1 1 360.200 3.996 40 0 FHABMM CCOc1ccc(Cl)cc1CNn1c(=S)[n-]nc1-c1ccncc1 ZINC000008324606 263354525 /nfs/dbraw/zinc/35/45/25/263354525.db2.gz QAHDTZNDWZKFPR-UHFFFAOYSA-N -1 1 361.858 3.798 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c1 ZINC000408583807 263475458 /nfs/dbraw/zinc/47/54/58/263475458.db2.gz KLGGSPKYHMPEDK-UHFFFAOYSA-N -1 1 361.467 3.573 40 0 FHABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NC(C)(C)C)cc2)cc1 ZINC000409365425 263551391 /nfs/dbraw/zinc/55/13/91/263551391.db2.gz XDBQMSKUXNONBF-UHFFFAOYSA-N -1 1 374.506 3.643 40 0 FHABMM CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020492958 520684899 /nfs/dbraw/zinc/68/48/99/520684899.db2.gz DWZSXJQCXFZPTP-UHFFFAOYSA-N -1 1 366.870 3.671 40 0 FHABMM COc1ccc(CN[C@H](C)c2onc(-c3ccccc3)c2C(=O)[O-])cc1 ZINC000096296882 560060226 /nfs/dbraw/zinc/06/02/26/560060226.db2.gz PABDOMMDKUXXSU-CYBMUJFWSA-N -1 1 352.390 3.899 40 0 biogenic,in-vitro FHABMM O=C([N-]Cc1ccc(-c2nc3ncccc3o2)cc1)C(Cl)(Cl)Cl ZINC000057333392 568269069 /nfs/dbraw/zinc/26/90/69/568269069.db2.gz ZPYVNQFLQABUPA-UHFFFAOYSA-N -1 1 370.623 3.876 40 0 FHABMM Cc1nnc(SC(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)[O-])[nH]1 ZINC000006329405 570556053 /nfs/dbraw/zinc/55/60/53/570556053.db2.gz QLWJFMBQGFJUNL-SXGWCWSVSA-N -1 1 372.425 3.878 40 0 FHABMM Cc1nc(SC(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)[O-])n[nH]1 ZINC000006329405 570556054 /nfs/dbraw/zinc/55/60/54/570556054.db2.gz QLWJFMBQGFJUNL-SXGWCWSVSA-N -1 1 372.425 3.878 40 0 FHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1 ZINC000408592963 570573619 /nfs/dbraw/zinc/57/36/19/570573619.db2.gz LEKJNGDHQUCQCA-UHFFFAOYSA-N -1 1 360.479 3.551 40 0 FHABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3[O-])oc2c1 ZINC000408628576 570594241 /nfs/dbraw/zinc/59/42/41/570594241.db2.gz VALAYYNPLKTQLB-UHFFFAOYSA-N -1 1 369.446 3.978 40 0 FHABMM Cc1cccc(Cn2cc([C@@H]3NC[C@H](C(=O)[O-])S3)c3ccccc32)c1 ZINC000408977254 570706624 /nfs/dbraw/zinc/70/66/24/570706624.db2.gz HVMKVADNBUIRBI-RTBURBONSA-N -1 1 352.459 3.786 40 0 FHABMM COc1cccc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)c1 ZINC000012337779 570737734 /nfs/dbraw/zinc/73/77/34/570737734.db2.gz MJTQMVHIMSXLOC-LJQANCHMSA-N -1 1 366.465 3.788 40 0 FHABMM O=c1cc(CSc2nc3ccccc3o2)nc(Nc2ccccc2)[n-]1 ZINC000009264637 570798968 /nfs/dbraw/zinc/79/89/68/570798968.db2.gz WVWZNQIUSUYBLX-UHFFFAOYSA-N -1 1 350.403 3.947 40 0 FHABMM COc1ccc(C2=NN(c3nc(C)cc(=O)[n-]3)[C@H](c3cccs3)C2)cc1 ZINC000016283581 570853638 /nfs/dbraw/zinc/85/36/38/570853638.db2.gz OMLGOJNHFRIVNF-INIZCTEOSA-N -1 1 366.446 3.504 40 0 FHABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000020111989 570910311 /nfs/dbraw/zinc/91/03/11/570910311.db2.gz OYLJTHDPIYBXSJ-UHFFFAOYSA-N -1 1 353.465 3.617 40 0 FHABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000028196157 571027419 /nfs/dbraw/zinc/02/74/19/571027419.db2.gz BVLFFZWMLYEHNA-UHFFFAOYSA-N -1 1 353.827 3.544 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225702242 571057324 /nfs/dbraw/zinc/05/73/24/571057324.db2.gz ZXDQUYSZIMEPPH-UHFFFAOYSA-N -1 1 362.476 3.753 40 0 FHABMM O=C([O-])c1ccccc1-c1ccc(CN2CC(c3[nH]nc4ncccc43)C2)o1 ZINC000257204824 571149837 /nfs/dbraw/zinc/14/98/37/571149837.db2.gz AWLJNASWVABKJM-UHFFFAOYSA-N -1 1 374.400 3.516 40 0 FHABMM O=C(Cc1ccccc1S(=O)(=O)[N-]c1ccccc1)c1ccccc1 ZINC000001707714 571249213 /nfs/dbraw/zinc/24/92/13/571249213.db2.gz SUULIAZEIFDBIU-UHFFFAOYSA-N -1 1 351.427 3.913 40 0 FHABMM Cc1sc(NC(=O)CSc2nc(C)cc(=O)[n-]2)nc1-c1ccccc1 ZINC000033739830 571305902 /nfs/dbraw/zinc/30/59/02/571305902.db2.gz QLWMUDIPXYWXDF-UHFFFAOYSA-N -1 1 372.475 3.653 40 0 FHABMM COC(=O)c1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000013680266 220084600 /nfs/dbraw/zinc/08/46/00/220084600.db2.gz OZGHHOHRGZOBQL-UHFFFAOYSA-N -1 1 374.245 3.722 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1C ZINC000038771742 208206253 /nfs/dbraw/zinc/20/62/53/208206253.db2.gz WOOULGXXGINFFK-UHFFFAOYSA-N -1 1 358.463 3.539 40 0 FHABMM CCc1ccc(-n2c(C)nc3nc(N4CCCC4)[n-]c(=O)c3c2=S)cc1 ZINC000040386953 208248892 /nfs/dbraw/zinc/24/88/92/208248892.db2.gz ZDKGSPDKBADUMG-UHFFFAOYSA-N -1 1 367.478 3.722 40 0 FHABMM CCOc1cccc(CNn2c(C)n[n-]c2=S)c1OCc1ccccc1 ZINC000008325533 263354398 /nfs/dbraw/zinc/35/43/98/263354398.db2.gz ZZVDLKBZJMSJQP-UHFFFAOYSA-N -1 1 370.478 3.971 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC(C)C)c2C)cc1 ZINC000010314927 263365305 /nfs/dbraw/zinc/36/53/05/263365305.db2.gz FAPDQGFCMMFDCS-UHFFFAOYSA-N -1 1 374.506 3.880 40 0 FHABMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)C(C)C ZINC000223636415 568685816 /nfs/dbraw/zinc/68/58/16/568685816.db2.gz XLUWZMDLMYUXFM-UHFFFAOYSA-N -1 1 364.492 3.804 40 0 FHABMM CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000006224581 570551685 /nfs/dbraw/zinc/55/16/85/570551685.db2.gz ZPGWQNRCHZQXSC-HNNXBMFYSA-N -1 1 360.479 3.633 40 0 FHABMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1c(F)cccc1Cl)CC(=O)N2 ZINC000004944262 570673343 /nfs/dbraw/zinc/67/33/43/570673343.db2.gz DMQTWGDDKHWJTI-MRVPVSSYSA-N -1 1 367.833 3.539 40 0 FHABMM CCc1nc(SCC(=O)Nc2cccc3ccccc32)[n-]c(=O)c1C ZINC000005054681 570676962 /nfs/dbraw/zinc/67/69/62/570676962.db2.gz 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IHCDBYWKKBDWGE-UHFFFAOYSA-N -1 1 358.282 3.972 40 0 FHABMM Cc1nnc(SC(=Cc2cc(C)n(-c3ccccc3)c2C)C(=O)[O-])[nH]1 ZINC000006329728 571296029 /nfs/dbraw/zinc/29/60/29/571296029.db2.gz YCBJSRIZMXCHDN-YBEGLDIGSA-N -1 1 354.435 3.738 40 0 FHABMM Cc1nc(SC(=Cc2cc(C)n(-c3ccccc3)c2C)C(=O)[O-])n[nH]1 ZINC000006329728 571296031 /nfs/dbraw/zinc/29/60/31/571296031.db2.gz YCBJSRIZMXCHDN-YBEGLDIGSA-N -1 1 354.435 3.738 40 0 FHABMM CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000006415765 571296362 /nfs/dbraw/zinc/29/63/62/571296362.db2.gz LJRGTFAUHPVCRY-MRXNPFEDSA-N -1 1 374.506 3.941 40 0 FHABMM CCc1cc(=O)n2[n-]c([C@@H]3CCCCN3Cc3cccc(OC)c3)cc2n1 ZINC000100727907 209217785 /nfs/dbraw/zinc/21/77/85/209217785.db2.gz MVHGWMDAQLKRPW-IBGZPJMESA-N -1 1 366.465 3.733 40 0 FHABMM CC(=O)Sc1[n-]c(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000005884404 206691735 /nfs/dbraw/zinc/69/17/35/206691735.db2.gz XXBPHHYYGYQJLE-UHFFFAOYSA-N -1 1 372.471 3.857 40 0 FHABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000007709532 207203026 /nfs/dbraw/zinc/20/30/26/207203026.db2.gz YGNKCTUILKYVIQ-UHFFFAOYSA-N -1 1 355.415 3.817 40 0 FHABMM CCOC(=O)c1ccc(-c2ccc(CNn3c(CC)n[n-]c3=S)o2)cc1 ZINC000008339276 263354068 /nfs/dbraw/zinc/35/40/68/263354068.db2.gz RJZKOMNYDXELCA-UHFFFAOYSA-N -1 1 372.450 3.683 40 0 FHABMM CCOc1cccc(CNn2cn[n-]c2=S)c1OCc1ccccc1 ZINC000008325534 263354568 /nfs/dbraw/zinc/35/45/68/263354568.db2.gz ZLXLFAWQUURWOQ-UHFFFAOYSA-N -1 1 356.451 3.662 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)N1CCCC1 ZINC000408596198 263478494 /nfs/dbraw/zinc/47/84/94/263478494.db2.gz RPNHZYAXBVNPCU-UHFFFAOYSA-N -1 1 372.490 3.649 40 0 FHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1C ZINC000223798318 568732061 /nfs/dbraw/zinc/73/20/61/568732061.db2.gz SDVDBVUBRWRFFH-UHFFFAOYSA-N -1 1 353.827 3.544 40 0 FHABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C ZINC000408626239 570592008 /nfs/dbraw/zinc/59/20/08/570592008.db2.gz VEXDBQFGAITEGG-UHFFFAOYSA-N -1 1 356.806 3.547 40 0 FHABMM CC(C)c1cc(=O)[n-]c(SCC(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000004943268 570673323 /nfs/dbraw/zinc/67/33/23/570673323.db2.gz OXFNKTDWLMRYGV-UHFFFAOYSA-N -1 1 372.277 3.931 40 0 FHABMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc3ccccc31)CC(=O)N2 ZINC000004944292 570673367 /nfs/dbraw/zinc/67/33/67/570673367.db2.gz UCIPDVALXWVEJL-CQSZACIVSA-N -1 1 351.431 3.509 40 0 FHABMM CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1 ZINC000409077954 570720721 /nfs/dbraw/zinc/72/07/21/570720721.db2.gz GPVGJVCLIJFUMH-UVTDQMKNSA-N -1 1 350.871 3.778 40 0 FHABMM Cc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409412108 570757543 /nfs/dbraw/zinc/75/75/43/570757543.db2.gz RIRIPGNTNLEILR-UHFFFAOYSA-N -1 1 372.490 3.668 40 0 FHABMM CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000016601530 570858582 /nfs/dbraw/zinc/85/85/82/570858582.db2.gz MBZLEUPGJGBUCI-HNNXBMFYSA-N -1 1 360.479 3.714 40 0 FHABMM O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937243 570907302 /nfs/dbraw/zinc/90/73/02/570907302.db2.gz QURKVVWJOLYTOP-UHFFFAOYSA-N -1 1 359.307 3.708 40 0 FHABMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000022511228 570944640 /nfs/dbraw/zinc/94/46/40/570944640.db2.gz NFVCKJQRJSBYBG-UHFFFAOYSA-N -1 1 366.870 3.527 40 0 FHABMM CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223939418 570972583 /nfs/dbraw/zinc/97/25/83/570972583.db2.gz VODKFRUMVPOCEL-HNNXBMFYSA-N -1 1 360.479 3.714 40 0 FHABMM CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975862 570973605 /nfs/dbraw/zinc/97/36/05/570973605.db2.gz RIZWTIHYDBTOCX-UHFFFAOYSA-N -1 1 366.870 3.671 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)C(C)C)cc2C)cc1 ZINC000225205165 571022180 /nfs/dbraw/zinc/02/21/80/571022180.db2.gz QUJQHAMSVCJIOB-MRXNPFEDSA-N -1 1 374.506 3.879 40 0 FHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000225596167 571048221 /nfs/dbraw/zinc/04/82/21/571048221.db2.gz VPPMRJBEJYVFND-UHFFFAOYSA-N -1 1 365.426 3.892 40 0 FHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2C)cc1C ZINC000033739437 571085229 /nfs/dbraw/zinc/08/52/29/571085229.db2.gz CVJVEXACPAXRKI-UHFFFAOYSA-N -1 1 374.506 3.941 40 0 FHABMM Cc1ccc(C(=O)N(C)C2CCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000044842240 571102539 /nfs/dbraw/zinc/10/25/39/571102539.db2.gz WKBDVCHJVGAEAW-UHFFFAOYSA-N -1 1 372.490 3.810 40 0 FHABMM CCc1nnc([N-]c2cccc([C@H]3CCCN(C(=O)C(C)C)C3)n2)s1 ZINC000257302417 571159556 /nfs/dbraw/zinc/15/95/56/571159556.db2.gz SCWOVJOBGZECGQ-ZDUSSCGKSA-N -1 1 359.499 3.601 40 0 FHABMM Cc1ccccc1CN1CCC[C@H]1c1cncc([N-]c2nncs2)n1 ZINC000072376310 571186039 /nfs/dbraw/zinc/18/60/39/571186039.db2.gz BFRRNVXXZOHTNA-INIZCTEOSA-N -1 1 352.467 3.717 40 0 FHABMM S=C([N-]CCc1c[nH]c2ccccc12)SCc1cn2cccnc2n1 ZINC000001448704 571194964 /nfs/dbraw/zinc/19/49/64/571194964.db2.gz ZFWSPOOACJCWFC-UHFFFAOYSA-N -1 1 367.503 3.561 40 0 FHABMM Cn1c([N-]N=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)[nH+]c2ccccc21 ZINC000007343361 571298834 /nfs/dbraw/zinc/29/88/34/571298834.db2.gz HZDJFRYGLPIOHI-CIAFOILYSA-N -1 1 360.373 3.978 40 0 FHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCC(C)C ZINC000010314738 571302930 /nfs/dbraw/zinc/30/29/30/571302930.db2.gz NBBSBUHJDOCBCX-UHFFFAOYSA-N -1 1 360.479 3.572 40 0 FHABMM O=C1C(=C([O-])c2ccccc2)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000005004552 207070925 /nfs/dbraw/zinc/07/09/25/207070925.db2.gz WGAKCJYXIVEBLE-LJQANCHMSA-N -1 1 356.381 3.911 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C3CCCC3)c2)cc1 ZINC000020041492 525612798 /nfs/dbraw/zinc/61/27/98/525612798.db2.gz BYLFSGGTJOLZSR-UHFFFAOYSA-N -1 1 372.490 3.810 40 0 FHABMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccccc1C ZINC000223099472 568610546 /nfs/dbraw/zinc/61/05/46/568610546.db2.gz JDPMWXOQONMXFE-GOSISDBHSA-N -1 1 356.447 3.668 40 0 FHABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223663129 568693657 /nfs/dbraw/zinc/69/36/57/568693657.db2.gz XWEYQDNSGNEKNW-UHFFFAOYSA-N -1 1 359.447 3.794 40 0 FHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1C ZINC000223801832 568732877 /nfs/dbraw/zinc/73/28/77/568732877.db2.gz DRCNOHCEVDWQJA-UHFFFAOYSA-N -1 1 374.245 3.889 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c1C ZINC000408598398 570574317 /nfs/dbraw/zinc/57/43/17/570574317.db2.gz ZULDNVFAHZMVMZ-UHFFFAOYSA-N -1 1 372.490 3.649 40 0 FHABMM Cc1cc(/C=C2/NC(=S)[N-]C2=O)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408854092 570692952 /nfs/dbraw/zinc/69/29/52/570692952.db2.gz XIFOGEWUCHVFGG-CXUHLZMHSA-N -1 1 372.877 3.881 40 0 FHABMM O=C([O-])[C@@H]1CN[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 ZINC000408980067 570707820 /nfs/dbraw/zinc/70/78/20/570707820.db2.gz UIGVPKRHTLEJMO-ZWKOTPCHSA-N -1 1 356.422 3.617 40 0 FHABMM CCCCNC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000409355989 570752847 /nfs/dbraw/zinc/75/28/47/570752847.db2.gz FXFLVMMCQLEYMV-UHFFFAOYSA-N -1 1 374.506 3.645 40 0 FHABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000007601366 570790935 /nfs/dbraw/zinc/79/09/35/570790935.db2.gz YDTCVWLAEPHQSH-UHFFFAOYSA-N -1 1 356.879 3.698 40 0 FHABMM CCC(CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000224000614 570974467 /nfs/dbraw/zinc/97/44/67/570974467.db2.gz WMKXCDGQSIPWSE-UHFFFAOYSA-N -1 1 360.479 3.714 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)C(C)C)ccc2C)cc1 ZINC000225204891 571021377 /nfs/dbraw/zinc/02/13/77/571021377.db2.gz PGZUTCCJQGINOZ-MRXNPFEDSA-N -1 1 374.506 3.879 40 0 FHABMM Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000225204751 571021438 /nfs/dbraw/zinc/02/14/38/571021438.db2.gz OOIXPKGPIBDPTK-HNNXBMFYSA-N -1 1 360.479 3.570 40 0 FHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1Cl ZINC000225605799 571049001 /nfs/dbraw/zinc/04/90/01/571049001.db2.gz IMFDJQJUDFIJSL-UHFFFAOYSA-N -1 1 371.817 3.765 40 0 FHABMM CCC(CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000068935562 571153902 /nfs/dbraw/zinc/15/39/02/571153902.db2.gz YBTOKASMOJHQDD-UHFFFAOYSA-N -1 1 360.479 3.714 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(C)C)cc2C)cc1 ZINC000010361102 571303158 /nfs/dbraw/zinc/30/31/58/571303158.db2.gz RHFJVIUWUPGEFA-UHFFFAOYSA-N -1 1 374.506 3.880 40 0 FHABMM CC(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000038756014 208206557 /nfs/dbraw/zinc/20/65/57/208206557.db2.gz DSGJYNMMRBNMNZ-UHFFFAOYSA-N -1 1 366.870 3.669 40 0 FHABMM CCc1n[n-]c(=S)n1NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000008339343 263354491 /nfs/dbraw/zinc/35/44/91/263354491.db2.gz ZKSOLJRCZULKPO-UHFFFAOYSA-N -1 1 358.442 3.965 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2C)cc1 ZINC000010314391 263364509 /nfs/dbraw/zinc/36/45/09/263364509.db2.gz BSMVCXNAOVOSSR-UHFFFAOYSA-N -1 1 360.479 3.633 40 0 FHABMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CCCC1 ZINC000019933018 523936707 /nfs/dbraw/zinc/93/67/07/523936707.db2.gz XUTMQJWPYAQILC-UHFFFAOYSA-N -1 1 358.463 3.502 40 0 FHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1C ZINC000223797294 568731719 /nfs/dbraw/zinc/73/17/19/568731719.db2.gz YEUNYFVSRNJORZ-UHFFFAOYSA-N -1 1 373.352 3.601 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1C ZINC000408586528 570566379 /nfs/dbraw/zinc/56/63/79/570566379.db2.gz ALHBSGHUJKUOMW-UHFFFAOYSA-N -1 1 360.479 3.551 40 0 FHABMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2 ZINC000004944272 570673444 /nfs/dbraw/zinc/67/34/44/570673444.db2.gz VGCAGYDFQFVJMV-MRVPVSSYSA-N -1 1 370.261 3.663 40 0 FHABMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(Cl)c1Cl)CC(=O)N2 ZINC000004944273 570673480 /nfs/dbraw/zinc/67/34/80/570673480.db2.gz VGCAGYDFQFVJMV-QMMMGPOBSA-N -1 1 370.261 3.663 40 0 FHABMM Cc1cccc(Cn2cc([C@H]3NC[C@@H](C(=O)[O-])S3)c3ccccc32)c1 ZINC000408977248 570706658 /nfs/dbraw/zinc/70/66/58/570706658.db2.gz HVMKVADNBUIRBI-OALUTQOASA-N -1 1 352.459 3.786 40 0 FHABMM O=C(CN1C(=O)SC(=Cc2ccc([O-])c(Cl)c2)C1=O)c1ccccc1 ZINC000409222926 570742817 /nfs/dbraw/zinc/74/28/17/570742817.db2.gz FNRKZZFZMPJDOJ-CXUHLZMHSA-N -1 1 373.817 3.965 40 0 FHABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)ccc1OCC ZINC000007601348 570790871 /nfs/dbraw/zinc/79/08/71/570790871.db2.gz QCHGNUPSGGAVPT-UHFFFAOYSA-N -1 1 371.304 3.798 40 0 FHABMM CCCc1n[n-]c(=S)n1NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007602258 570791417 /nfs/dbraw/zinc/79/14/17/570791417.db2.gz SYTZRKJUFYCULW-UHFFFAOYSA-N -1 1 372.450 3.683 40 0 FHABMM O=C(Nc1cccc(Cl)c1Cl)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937231 570907246 /nfs/dbraw/zinc/90/72/46/570907246.db2.gz CQUANBLFOZDZQQ-UHFFFAOYSA-N -1 1 360.200 3.996 40 0 FHABMM CSc1ccc([C@@H](C)NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1 ZINC000019937348 570907387 /nfs/dbraw/zinc/90/73/87/570907387.db2.gz OTSNAYCNXWFETA-CYBMUJFWSA-N -1 1 365.458 3.650 40 0 FHABMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020046872 570909075 /nfs/dbraw/zinc/90/90/75/570909075.db2.gz SJKROLLQLMEEPL-UHFFFAOYSA-N -1 1 366.870 3.589 40 0 FHABMM CC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224027441 570975055 /nfs/dbraw/zinc/97/50/55/570975055.db2.gz VQTIMXQROUFRPV-GFCCVEGCSA-N -1 1 366.870 3.669 40 0 FHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225702201 571057295 /nfs/dbraw/zinc/05/72/95/571057295.db2.gz DQVPWRGOEOLGHT-UHFFFAOYSA-N -1 1 362.476 3.753 40 0 FHABMM Cc1ccc(C(=O)N(C)C2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000044839449 571102250 /nfs/dbraw/zinc/10/22/50/571102250.db2.gz CHHIPKPJTQGFHL-UHFFFAOYSA-N -1 1 372.490 3.810 40 0 FHABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1C ZINC000006416196 571296402 /nfs/dbraw/zinc/29/64/02/571296402.db2.gz XEXSIENUMSZHOU-UHFFFAOYSA-N -1 1 372.490 3.730 40 0 FHABMM CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010329583 571302993 /nfs/dbraw/zinc/30/29/93/571302993.db2.gz OAWYTISINOJBEU-UHFFFAOYSA-N -1 1 360.479 3.716 40 0 FHABMM O=C(Oc1ccc(C=C2SC(=O)[N-]C2=O)cc1)c1cccc(Cl)c1 ZINC000221359111 571307850 /nfs/dbraw/zinc/30/78/50/571307850.db2.gz QDXKLAKVMSVODW-RIYZIHGNSA-N -1 1 359.790 3.883 40 0 FHABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2sc1=O ZINC000225686886 209827803 /nfs/dbraw/zinc/82/78/03/209827803.db2.gz QEFFCXGBYZUVLX-UHFFFAOYSA-N -1 1 368.867 3.537 40 0 FHABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000223800149 209770627 /nfs/dbraw/zinc/77/06/27/209770627.db2.gz ZIIAJFOMHLPROO-UHFFFAOYSA-N -1 1 361.463 3.707 40 0 FHABMM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 ZINC000000806170 209377195 /nfs/dbraw/zinc/37/71/95/209377195.db2.gz CEWSAKHHYHSYMS-UHFFFAOYSA-N -1 1 367.426 3.926 40 0 FHABMM Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000005045353 207075380 /nfs/dbraw/zinc/07/53/80/207075380.db2.gz DSSABWIXLHYFOQ-AWEZNQCLSA-N -1 1 365.458 3.865 40 0 FHABMM O=C([O-])C1CCN(Cc2c(-c3ccco3)nc3ccc(Cl)cn32)CC1 ZINC000006740889 207158887 /nfs/dbraw/zinc/15/88/87/207158887.db2.gz NLHCIAKFHDVKNH-UHFFFAOYSA-N -1 1 359.813 3.544 40 0 FHABMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000032627747 208033155 /nfs/dbraw/zinc/03/31/55/208033155.db2.gz ZQZOUOSZRWENPU-UHFFFAOYSA-N -1 1 366.870 3.623 40 0 FHABMM CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000006706705 263346596 /nfs/dbraw/zinc/34/65/96/263346596.db2.gz WMYLFEMRUUHKRT-UHFFFAOYSA-N -1 1 360.479 3.716 40 0 FHABMM CCc1n[n-]c(=S)n1NCc1ccccc1OCc1ccc(F)cc1 ZINC000008339422 263354124 /nfs/dbraw/zinc/35/41/24/263354124.db2.gz IUZYGAMGFRKTQI-UHFFFAOYSA-N -1 1 358.442 3.965 40 0 FHABMM Cc1ccc2c(c1)[C@H](CCO)O[C@H]([C@H](C)c1cc([O-])c(C)c(=O)o1)[C@H]2C ZINC000514288044 560035588 /nfs/dbraw/zinc/03/55/88/560035588.db2.gz KYRDITCXPNFIBT-CVFBZQACSA-N -1 1 358.434 3.692 40 0 biogenic,in-vitro FHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1C ZINC000223797606 568731992 /nfs/dbraw/zinc/73/19/92/568731992.db2.gz VGIYDCMUOKPVQG-UHFFFAOYSA-N -1 1 374.245 3.889 40 0 FHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1 ZINC000408564522 570558853 /nfs/dbraw/zinc/55/88/53/570558853.db2.gz ZCCCBCGATCFYBG-UHFFFAOYSA-N -1 1 373.478 3.732 40 0 FHABMM CCOc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1[O-] ZINC000006958622 570577120 /nfs/dbraw/zinc/57/71/20/570577120.db2.gz TZKOBPKJTZFWGJ-UHFFFAOYSA-N -1 1 358.301 3.961 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)NC(C)C ZINC000408597247 570577173 /nfs/dbraw/zinc/57/71/73/570577173.db2.gz ULSNEBVVJXNRTQ-UHFFFAOYSA-N -1 1 366.870 3.587 40 0 FHABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C ZINC000408605538 570577990 /nfs/dbraw/zinc/57/79/90/570577990.db2.gz KOODRNVICPKSBV-UHFFFAOYSA-N -1 1 352.843 3.716 40 0 FHABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1C ZINC000408603427 570579969 /nfs/dbraw/zinc/57/99/69/570579969.db2.gz JUJGXBAHCBKPJO-UHFFFAOYSA-N -1 1 366.870 3.507 40 0 FHABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)ccc1C ZINC000408613108 570581743 /nfs/dbraw/zinc/58/17/43/570581743.db2.gz ZWKCDVHJUVBSIU-UHFFFAOYSA-N -1 1 366.870 3.507 40 0 FHABMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3[O-])nc2c1 ZINC000408625359 570591939 /nfs/dbraw/zinc/59/19/39/570591939.db2.gz XRYQDFYWCVNDAB-UHFFFAOYSA-N -1 1 369.446 3.978 40 0 FHABMM CCC[C@H]1c2c(O)n(-c3ccc(CC)cc3)c(O)c2ON1c1ccccc1 ZINC000085637434 570636615 /nfs/dbraw/zinc/63/66/15/570636615.db2.gz KZVSHWCSDYFGSC-UFYCRDLUSA-N -1 1 364.445 3.728 40 0 FHABMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000012891801 570817224 /nfs/dbraw/zinc/81/72/24/570817224.db2.gz CPKJLZZWQIYGFO-JLCFBVMHSA-N -1 1 369.461 3.777 40 0 FHABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2oc1=O ZINC000019936756 570907325 /nfs/dbraw/zinc/90/73/25/570907325.db2.gz VCTASZAOPRCJOZ-UHFFFAOYSA-N -1 1 360.435 3.539 40 0 FHABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000020048402 570908932 /nfs/dbraw/zinc/90/89/32/570908932.db2.gz SHYZIXOROYLXGH-UHFFFAOYSA-N -1 1 350.465 3.558 40 0 FHABMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2sc1=O ZINC000204092904 570920390 /nfs/dbraw/zinc/92/03/90/570920390.db2.gz LZDAFOVHWGVBCI-UHFFFAOYSA-N -1 1 370.455 3.554 40 0 FHABMM COCc1cccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 ZINC000225188037 571020882 /nfs/dbraw/zinc/02/08/82/571020882.db2.gz VAKPMUGXUZOHRK-UHFFFAOYSA-N -1 1 357.431 3.796 40 0 FHABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C(C)C)ccc1C ZINC000225199859 571021603 /nfs/dbraw/zinc/02/16/03/571021603.db2.gz HOEJLKXQCSGKRW-INIZCTEOSA-N -1 1 374.506 3.879 40 0 FHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(C)=O ZINC000225728650 571060023 /nfs/dbraw/zinc/06/00/23/571060023.db2.gz MQEYUCRNAUVSFL-UHFFFAOYSA-N -1 1 364.492 3.785 40 0 FHABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc1 ZINC000055549461 571120988 /nfs/dbraw/zinc/12/09/88/571120988.db2.gz CEDDLPCUFYILES-UHFFFAOYSA-N -1 1 374.506 3.509 40 0 FHABMM Cc1csc([N-]c2nccnc2[C@@H]2CCCN(C(=O)CC(C)C)C2)n1 ZINC000072363561 571184846 /nfs/dbraw/zinc/18/48/46/571184846.db2.gz VWRZOIXVUQXPTJ-CQSZACIVSA-N -1 1 359.499 3.737 40 0 FHABMM CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000006023948 571295129 /nfs/dbraw/zinc/29/51/29/571295129.db2.gz OBRCMEBYKDUIMN-UHFFFAOYSA-N -1 1 374.506 3.895 40 0 FHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2C)c(C)c1 ZINC000006368700 571296298 /nfs/dbraw/zinc/29/62/98/571296298.db2.gz YOEPUHDNAUDZDI-UHFFFAOYSA-N -1 1 374.506 3.941 40 0 FHABMM O=C([O-])C(=Cc1ccncc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000007365584 571298699 /nfs/dbraw/zinc/29/86/99/571298699.db2.gz JJOUOJAAMUMULV-LCYFTJDESA-N -1 1 358.810 3.738 40 0 FHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NC1CCCCC1 ZINC000010315062 571303003 /nfs/dbraw/zinc/30/30/03/571303003.db2.gz NMSABIANJSXKDW-UHFFFAOYSA-N -1 1 372.490 3.858 40 0 FHABMM C[C@]12CC[C@H]3[C@@H](CC=C4C=C([P@](=O)([O-])O)CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000118923010 209348275 /nfs/dbraw/zinc/34/82/75/209348275.db2.gz XYAKCBSNXBLQKE-KZYORJDKSA-N -1 1 352.411 3.982 40 0 FHABMM COc1ccc(-c2oc3c4c(cc(=O)c-3c([O-])c2O)OC(C)(C)CC4)cc1 ZINC000040973067 209213899 /nfs/dbraw/zinc/21/38/99/209213899.db2.gz PPCHTBBOSVKORE-UHFFFAOYSA-N -1 1 368.385 3.983 40 0 biogenic,in-vitro FHABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1NC(C)=O ZINC000007056193 207186253 /nfs/dbraw/zinc/18/62/53/207186253.db2.gz MLNUQSOHVBCPIN-UHFFFAOYSA-N -1 1 362.451 3.578 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCCC3)c2)cc1 ZINC000008181443 207222458 /nfs/dbraw/zinc/22/24/58/207222458.db2.gz MMOBHAOUUJSKSS-UHFFFAOYSA-N -1 1 372.490 3.812 40 0 FHABMM COc1cccc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)c1 ZINC000012337780 207363179 /nfs/dbraw/zinc/36/31/79/207363179.db2.gz MJTQMVHIMSXLOC-IBGZPJMESA-N -1 1 366.465 3.788 40 0 FHABMM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000020029970 207723992 /nfs/dbraw/zinc/72/39/92/207723992.db2.gz DGEABLWBMMMCDS-UHFFFAOYSA-N -1 1 365.760 3.957 40 0 FHABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1OC ZINC000039536397 208212202 /nfs/dbraw/zinc/21/22/02/208212202.db2.gz DGOPLBSABQPDLL-UHFFFAOYSA-N -1 1 369.442 3.756 40 0 FHABMM O=C(Nc1ccccc1F)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000047156154 208373376 /nfs/dbraw/zinc/37/33/76/208373376.db2.gz ZPJOROBGNSIZEK-UHFFFAOYSA-N -1 1 370.405 3.879 40 0 FHABMM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000223317658 568639553 /nfs/dbraw/zinc/63/95/53/568639553.db2.gz ONXQFCFRDWLPHI-UHFFFAOYSA-N -1 1 373.217 3.537 40 0 FHABMM CCCCc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1 ZINC000223320661 568639770 /nfs/dbraw/zinc/63/97/70/568639770.db2.gz LDQGATIAYBZIFD-UHFFFAOYSA-N -1 1 360.435 3.573 40 0 FHABMM O=C(Nc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000000823219 570458649 /nfs/dbraw/zinc/45/86/49/570458649.db2.gz BPOGSEXGRHCSLV-UHFFFAOYSA-N -1 1 352.415 3.740 40 0 FHABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1C ZINC000408546973 570528419 /nfs/dbraw/zinc/52/84/19/570528419.db2.gz HZEWDEZOMFSLGT-UHFFFAOYSA-N -1 1 374.506 3.880 40 0 FHABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000408556722 570553367 /nfs/dbraw/zinc/55/33/67/570553367.db2.gz JIXWQBWRHOTJSX-UHFFFAOYSA-N -1 1 372.805 3.848 40 0 FHABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C ZINC000408604243 570580441 /nfs/dbraw/zinc/58/04/41/570580441.db2.gz HUMCJPMCXPKFQA-UHFFFAOYSA-N -1 1 352.843 3.716 40 0 FHABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1C ZINC000408609824 570582355 /nfs/dbraw/zinc/58/23/55/570582355.db2.gz SDRDDSOJFPWVPN-UHFFFAOYSA-N -1 1 354.431 3.907 40 0 FHABMM CCC(=O)NC(=S)Nc1ccc(-c2nc3cc(CC)ccc3o2)c([O-])c1 ZINC000408627167 570592883 /nfs/dbraw/zinc/59/28/83/570592883.db2.gz KYYYDMRUMGUSRA-UHFFFAOYSA-N -1 1 369.446 3.986 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2C)cc1 ZINC000010365600 570700459 /nfs/dbraw/zinc/70/04/59/570700459.db2.gz QGXPXFDCOXATKT-UHFFFAOYSA-N -1 1 360.479 3.633 40 0 FHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2C)ccc1Cl ZINC000156741368 570718046 /nfs/dbraw/zinc/71/80/46/570718046.db2.gz PNAOFCDNBVAVLE-UHFFFAOYSA-N -1 1 353.827 3.544 40 0 FHABMM CC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000409351445 570752437 /nfs/dbraw/zinc/75/24/37/570752437.db2.gz SZDWNKOGCIHMTB-INIZCTEOSA-N -1 1 374.506 3.643 40 0 FHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)c(C)c1 ZINC000013676286 570784214 /nfs/dbraw/zinc/78/42/14/570784214.db2.gz YADPUXYXSBUICM-UHFFFAOYSA-N -1 1 365.476 3.694 40 0 FHABMM O=C(NC1CCCCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008033385 570794062 /nfs/dbraw/zinc/79/40/62/570794062.db2.gz KIGCJZGOMWCWSL-UHFFFAOYSA-N -1 1 372.490 3.940 40 0 FHABMM CCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c([O-])c1 ZINC000009064228 570798007 /nfs/dbraw/zinc/79/80/07/570798007.db2.gz BIAXAVPSEDEGAG-UHFFFAOYSA-N -1 1 355.419 3.732 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CCCCC3)c2)cc1 ZINC000010331638 570803441 /nfs/dbraw/zinc/80/34/41/570803441.db2.gz SSAASNMAOQTHEK-UHFFFAOYSA-N -1 1 372.490 3.858 40 0 FHABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020051065 570909509 /nfs/dbraw/zinc/90/95/09/570909509.db2.gz QKUVNUAELVUODS-UHFFFAOYSA-N -1 1 353.827 3.626 40 0 FHABMM COc1cccc2c(C)nc(Nc3nc(-c4ccc(C)cc4)cc(=O)[n-]3)nc12 ZINC000020633957 570922238 /nfs/dbraw/zinc/92/22/38/570922238.db2.gz JWDUBFGBVMKWML-UHFFFAOYSA-N -1 1 373.416 3.749 40 0 FHABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)ccc2c1 ZINC000224002762 570974541 /nfs/dbraw/zinc/97/45/41/570974541.db2.gz BCYOSHHTKNRSBJ-UHFFFAOYSA-N -1 1 373.430 3.666 40 0 FHABMM Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000225204793 571021385 /nfs/dbraw/zinc/02/13/85/571021385.db2.gz OOIXPKGPIBDPTK-OAHLLOKOSA-N -1 1 360.479 3.570 40 0 FHABMM O=C(NC1CCCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000028644553 571038688 /nfs/dbraw/zinc/03/86/88/571038688.db2.gz KDRINFMAOFTEME-UHFFFAOYSA-N -1 1 372.490 3.940 40 0 FHABMM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2 ZINC000078404004 571216182 /nfs/dbraw/zinc/21/61/82/571216182.db2.gz MDSBBHMRTUYESP-JTQLQIEISA-N -1 1 352.843 3.506 40 0 FHABMM CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000006213769 571295480 /nfs/dbraw/zinc/29/54/80/571295480.db2.gz RYCJNSMAGRYRQX-HNNXBMFYSA-N -1 1 360.479 3.633 40 0 FHABMM CCC[C@H](C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010369598 571303293 /nfs/dbraw/zinc/30/32/93/571303293.db2.gz IWZWLVLFPNTZFT-HNNXBMFYSA-N -1 1 360.479 3.714 40 0 FHABMM C#CCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br ZINC000033786722 571305983 /nfs/dbraw/zinc/30/59/83/571305983.db2.gz BQAXSCUGCZFHRJ-XFFZJAGNSA-N -1 1 354.250 3.790 40 0 FHABMM Cc1nc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)no1 ZINC000257250079 223037568 /nfs/dbraw/zinc/03/75/68/223037568.db2.gz JKYDEPBNCYURPM-AWEZNQCLSA-N -1 1 367.405 3.716 40 0 FHABMM Cc1ccc(-n2nc3ccc([N-]S(=O)(=O)c4ccccc4)cc3n2)cc1 ZINC000020609953 211290049 /nfs/dbraw/zinc/29/00/49/211290049.db2.gz DCTHRDBASTZZBV-UHFFFAOYSA-N -1 1 364.430 3.530 40 0 FHABMM CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)[n-]c1=O ZINC000017316209 211184526 /nfs/dbraw/zinc/18/45/26/211184526.db2.gz MCXGHFVAMGGODL-UHFFFAOYSA-N -1 1 359.234 3.546 40 0 FHABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000016607684 211164034 /nfs/dbraw/zinc/16/40/34/211164034.db2.gz XXUNMLVXMWONRB-DIJDEUIISA-N -1 1 374.444 3.700 40 0 FHABMM [O-]C(C=C(O)c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F ZINC000001614984 210362786 /nfs/dbraw/zinc/36/27/86/210362786.db2.gz RTFJNWMDRKOZEM-UHFFFAOYSA-N -1 1 365.067 3.878 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCC3)cc2)cc1 ZINC000020492771 525598360 /nfs/dbraw/zinc/59/83/60/525598360.db2.gz WAMOGEYMJKCKCR-UHFFFAOYSA-N -1 1 372.490 3.810 40 0 FHABMM CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000408543325 570526463 /nfs/dbraw/zinc/52/64/63/570526463.db2.gz CSWBSPBKHQHMLU-UHFFFAOYSA-N -1 1 360.479 3.552 40 0 FHABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000408560180 570554771 /nfs/dbraw/zinc/55/47/71/570554771.db2.gz CIRXLIJIJKIKIF-UHFFFAOYSA-N -1 1 361.467 3.670 40 0 FHABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)ccc1C ZINC000408610769 570582690 /nfs/dbraw/zinc/58/26/90/570582690.db2.gz VTBMRAWXHZZGFF-UHFFFAOYSA-N -1 1 360.479 3.669 40 0 FHABMM CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000006401499 570646537 /nfs/dbraw/zinc/64/65/37/570646537.db2.gz LBGLIQFOWRGMSO-UHFFFAOYSA-N -1 1 364.442 3.547 40 0 FHABMM O=S(=O)([N-]c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(F)cc1 ZINC000408713081 570665817 /nfs/dbraw/zinc/66/58/17/570665817.db2.gz JNQAJYHWZOJVDE-UHFFFAOYSA-N -1 1 351.790 3.670 40 0 FHABMM O=C([O-])[C@H]1CN[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 ZINC000408980064 570707887 /nfs/dbraw/zinc/70/78/87/570707887.db2.gz UIGVPKRHTLEJMO-MSOLQXFVSA-N -1 1 356.422 3.617 40 0 FHABMM COc1ccc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)cc1 ZINC000012337781 570737744 /nfs/dbraw/zinc/73/77/44/570737744.db2.gz OCSMFQOAUVRYOP-LJQANCHMSA-N -1 1 366.465 3.788 40 0 FHABMM CC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000409351449 570752396 /nfs/dbraw/zinc/75/23/96/570752396.db2.gz SZDWNKOGCIHMTB-MRXNPFEDSA-N -1 1 374.506 3.643 40 0 FHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)C)ccc2C)c(C)c1 ZINC000409383918 570754582 /nfs/dbraw/zinc/75/45/82/570754582.db2.gz OXIAAGFQXTZOED-UHFFFAOYSA-N -1 1 360.479 3.551 40 0 FHABMM COc1ccc(-c2ccc(CNn3c(C)n[n-]c3=S)o2)cc1Cl ZINC000007602298 570791289 /nfs/dbraw/zinc/79/12/89/570791289.db2.gz DPPDFRDBQJJWPC-UHFFFAOYSA-N -1 1 350.831 3.915 40 0 FHABMM CCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224053210 570975748 /nfs/dbraw/zinc/97/57/48/570975748.db2.gz XCWOXNXLDYVCQN-UHFFFAOYSA-N -1 1 366.870 3.589 40 0 FHABMM Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000225199761 571021448 /nfs/dbraw/zinc/02/14/48/571021448.db2.gz NKMQFRHGJCRZQX-HNNXBMFYSA-N -1 1 360.479 3.570 40 0 FHABMM O=C(Oc1ccc(C=C2SC(=O)[N-]C2=O)cc1)c1ccc(Cl)cc1 ZINC000083306138 571100855 /nfs/dbraw/zinc/10/08/55/571100855.db2.gz CVSODHUZYVNQGS-NTEUORMPSA-N -1 1 359.790 3.883 40 0 FHABMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000047156138 571107516 /nfs/dbraw/zinc/10/75/16/571107516.db2.gz SYWQTAUKGIPXRD-UHFFFAOYSA-N -1 1 366.442 3.764 40 0 FHABMM CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000057157118 571122320 /nfs/dbraw/zinc/12/23/20/571122320.db2.gz UYHBCYACIPBBHE-UHFFFAOYSA-N -1 1 360.479 3.714 40 0 FHABMM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2 ZINC000078404003 571216255 /nfs/dbraw/zinc/21/62/55/571216255.db2.gz MDSBBHMRTUYESP-SNVBAGLBSA-N -1 1 352.843 3.506 40 0 FHABMM CCC(CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000068935551 221319679 /nfs/dbraw/zinc/31/96/79/221319679.db2.gz UDXUEXZPRIYFCN-UHFFFAOYSA-N -1 1 360.479 3.714 40 0 FHABMM COc1ccc(-c2noc([C@@H](C)NCc3ccccc3)c2C(=O)[O-])cc1 ZINC000096297092 222112482 /nfs/dbraw/zinc/11/24/82/222112482.db2.gz PRDKNENIXHUKLH-CYBMUJFWSA-N -1 1 352.390 3.899 40 0 biogenic,in-vitro FHABMM CCc1n[n-]c(=S)n1NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000008339148 263354043 /nfs/dbraw/zinc/35/40/43/263354043.db2.gz WAYXSSNEVWXGKK-UHFFFAOYSA-N -1 1 370.478 3.834 40 0 FHABMM CCCCc1c(C)nc(Nc2nc(C)c3cc(OCC)ccc3n2)[n-]c1=O ZINC000020634045 521257773 /nfs/dbraw/zinc/25/77/73/521257773.db2.gz ABNVLEHHYMZGLD-UHFFFAOYSA-N -1 1 367.453 3.815 40 0 FHABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(NC(C)=O)cc3)ccc2c1 ZINC000223082833 568607324 /nfs/dbraw/zinc/60/73/24/568607324.db2.gz NGDSDFVKZPULQH-UHFFFAOYSA-N -1 1 370.430 3.608 40 0 FHABMM CSc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(C)=O ZINC000223213341 568626183 /nfs/dbraw/zinc/62/61/83/568626183.db2.gz MTUXSNKDMYYRKI-UHFFFAOYSA-N -1 1 364.492 3.785 40 0 FHABMM CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408546741 570528360 /nfs/dbraw/zinc/52/83/60/570528360.db2.gz USFJUWMREUKADS-UHFFFAOYSA-N -1 1 360.479 3.716 40 0 FHABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1 ZINC000408556221 570553413 /nfs/dbraw/zinc/55/34/13/570553413.db2.gz ZQFGBBZIGZGVPF-UHFFFAOYSA-N -1 1 362.451 3.927 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)NCC(C)C ZINC000408584851 570565171 /nfs/dbraw/zinc/56/51/71/570565171.db2.gz VXCZCFPUYZCMEO-UHFFFAOYSA-N -1 1 374.506 3.798 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](C)C3)c2)cc1 ZINC000010112569 570698690 /nfs/dbraw/zinc/69/86/90/570698690.db2.gz REJHWBXNXNMRLE-INIZCTEOSA-N -1 1 372.490 3.668 40 0 FHABMM CCOc1cc([C@H]2NC[C@@H](C(=O)[O-])S2)ccc1OCc1cccc(C)c1 ZINC000408979224 570707481 /nfs/dbraw/zinc/70/74/81/570707481.db2.gz QFEZADUJHWUJAC-OALUTQOASA-N -1 1 373.474 3.761 40 0 FHABMM COc1cc(CNn2c(C)n[n-]c2=S)ccc1OCc1ccccc1 ZINC000007602667 570791503 /nfs/dbraw/zinc/79/15/03/570791503.db2.gz ZXDSQVQVABHEQC-UHFFFAOYSA-N -1 1 356.451 3.580 40 0 FHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1OCC ZINC000007927770 570792776 /nfs/dbraw/zinc/79/27/76/570792776.db2.gz FKMYLVSYUZZDKR-UHFFFAOYSA-N -1 1 357.378 3.563 40 0 FHABMM Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000225199801 571021396 /nfs/dbraw/zinc/02/13/96/571021396.db2.gz NKMQFRHGJCRZQX-OAHLLOKOSA-N -1 1 360.479 3.570 40 0 FHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1Cl ZINC000225595775 571048212 /nfs/dbraw/zinc/04/82/12/571048212.db2.gz HILPVPPJRAPLII-UHFFFAOYSA-N -1 1 371.817 3.765 40 0 FHABMM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc21 ZINC000225705486 571057647 /nfs/dbraw/zinc/05/76/47/571057647.db2.gz OTQMTLNBCNUBBH-UHFFFAOYSA-N -1 1 366.439 3.584 40 0 FHABMM Cc1cccc(CN2CCC[C@@H]2c2cncc([N-]c3nncs3)n2)c1 ZINC000072376315 571186002 /nfs/dbraw/zinc/18/60/02/571186002.db2.gz ZMHYJYGSRBOSOT-MRXNPFEDSA-N -1 1 352.467 3.717 40 0 FHABMM N#C/C(=C\c1cc(Br)ccc1[O-])C(=O)Nc1ccc(F)cc1 ZINC000005863409 571295134 /nfs/dbraw/zinc/29/51/34/571295134.db2.gz JLYHTXVKZGVZOU-YRNVUSSQSA-N -1 1 361.170 3.839 40 0 FHABMM O=C([O-])c1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000009063367 571302561 /nfs/dbraw/zinc/30/25/61/571302561.db2.gz YRKWHSHHYKQQGL-UHFFFAOYSA-N -1 1 372.852 3.889 40 0 FHABMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010370432 571303346 /nfs/dbraw/zinc/30/33/46/571303346.db2.gz HLFWPMCWFBRPJK-OAHLLOKOSA-N -1 1 360.479 3.633 40 0 FHABMM COc1ccc(C)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000199769802 210171691 /nfs/dbraw/zinc/17/16/91/210171691.db2.gz XFOTXGYPZCAMEH-UHFFFAOYSA-N -1 1 356.241 3.567 40 0 FHABMM CC1(C)C=Cc2c([O-])c3c(cc2O1)occ(-c1ccc(O)cc1O)c3=O ZINC000014637754 220128105 /nfs/dbraw/zinc/12/81/05/220128105.db2.gz YKYNYMQDXOWMDT-UHFFFAOYSA-N -1 1 352.342 3.761 40 0 biogenic,in-vitro FHABMM CC1(C)C=Cc2c(cc3occ(-c4ccc(O)cc4O)c([O-])c-3c2=O)O1 ZINC000014637754 220128108 /nfs/dbraw/zinc/12/81/08/220128108.db2.gz YKYNYMQDXOWMDT-UHFFFAOYSA-N -1 1 352.342 3.761 40 0 biogenic,in-vitro FHABMM O=C(NCC1CCCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000022406574 211349947 /nfs/dbraw/zinc/34/99/47/211349947.db2.gz ZEORZKLNUJHUEI-UHFFFAOYSA-N -1 1 372.490 3.798 40 0 FHABMM CCc1nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2s1 ZINC000022255141 211343758 /nfs/dbraw/zinc/34/37/58/211343758.db2.gz GCJRWZDCNKRPEF-UHFFFAOYSA-N -1 1 362.476 3.977 40 0 FHABMM O=C(Nc1ccc(Cl)cc1Cl)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937232 211262073 /nfs/dbraw/zinc/26/20/73/211262073.db2.gz LTQJFJFKJGZCTE-UHFFFAOYSA-N -1 1 360.200 3.996 40 0 FHABMM CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000016601540 211163076 /nfs/dbraw/zinc/16/30/76/211163076.db2.gz ZXSOQIDCLBNHMB-OAHLLOKOSA-N -1 1 360.479 3.714 40 0 FHABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2C)c1 ZINC000409382591 263553517 /nfs/dbraw/zinc/55/35/17/263553517.db2.gz UODNRMGPBOXTDF-UHFFFAOYSA-N -1 1 372.490 3.649 40 0 FHABMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000223270715 568632399 /nfs/dbraw/zinc/63/23/99/568632399.db2.gz KPMHFQLOFLRLJV-UHFFFAOYSA-N -1 1 373.261 3.777 40 0 FHABMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000223270619 568632596 /nfs/dbraw/zinc/63/25/96/568632596.db2.gz USUFGHIFKQIPLE-UHFFFAOYSA-N -1 1 373.261 3.777 40 0 FHABMM N#C/C(=C\c1cc(Br)ccc1[O-])C(=O)Nc1ccccc1F ZINC000005868506 570549737 /nfs/dbraw/zinc/54/97/37/570549737.db2.gz WXIWGDWHQBELJG-YRNVUSSQSA-N -1 1 361.170 3.839 40 0 FHABMM C[C@]12CC[C@H]3[C@@H](CC=C4C=C([P@](=O)([O-])O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000004897279 570612394 /nfs/dbraw/zinc/61/23/94/570612394.db2.gz XYAKCBSNXBLQKE-DYKIIFRCSA-N -1 1 352.411 3.982 40 0 FHABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)c1 ZINC000005329613 570623856 /nfs/dbraw/zinc/62/38/56/570623856.db2.gz RCRJNWZAHREZLX-UHFFFAOYSA-N -1 1 358.463 3.539 40 0 FHABMM CCCCCc1c(C)[nH]c2[n-]n(-c3nc4ccccc4s3)c(=O)c2c1=O ZINC000010152734 570800903 /nfs/dbraw/zinc/80/09/03/570800903.db2.gz PAXPGCAOFQNSRX-UHFFFAOYSA-N -1 1 368.462 3.658 40 0 FHABMM CCCCCc1c(C)[nH]c2nn(-c3nc4ccccc4s3)c([O-])c2c1=O ZINC000010152734 570800908 /nfs/dbraw/zinc/80/09/08/570800908.db2.gz PAXPGCAOFQNSRX-UHFFFAOYSA-N -1 1 368.462 3.658 40 0 FHABMM CCCCCc1c(C)[nH]c2nn(-c3nc4ccccc4s3)c(=O)c-2c1[O-] ZINC000010152734 570800910 /nfs/dbraw/zinc/80/09/10/570800910.db2.gz PAXPGCAOFQNSRX-UHFFFAOYSA-N -1 1 368.462 3.658 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)c1 ZINC000015499926 570839535 /nfs/dbraw/zinc/83/95/35/570839535.db2.gz OXQXONQKOZNBRM-UHFFFAOYSA-N -1 1 360.479 3.572 40 0 FHABMM CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000027338453 570975711 /nfs/dbraw/zinc/97/57/11/570975711.db2.gz HIENSDCIWSZLSC-HNNXBMFYSA-N -1 1 360.479 3.633 40 0 FHABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1F ZINC000224393419 570987023 /nfs/dbraw/zinc/98/70/23/570987023.db2.gz IKZMMNRQVKAWSK-UHFFFAOYSA-N -1 1 357.406 3.887 40 0 FHABMM O=C([O-])c1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000039759589 571026100 /nfs/dbraw/zinc/02/61/00/571026100.db2.gz QWKKLQKSFXQECB-UHFFFAOYSA-N -1 1 372.852 3.889 40 0 FHABMM CCOc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000040446705 210186529 /nfs/dbraw/zinc/18/65/29/210186529.db2.gz ZHMWRVDYXPEZBL-UHFFFAOYSA-N -1 1 356.241 3.649 40 0 FHABMM CCC(CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223946145 222802342 /nfs/dbraw/zinc/80/23/42/222802342.db2.gz BQMKSSXXSMBRDB-UHFFFAOYSA-N -1 1 360.479 3.714 40 0 FHABMM CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000060624459 212023019 /nfs/dbraw/zinc/02/30/19/212023019.db2.gz IYLGOLNZFICGJL-UHFFFAOYSA-N -1 1 364.442 3.545 40 0 FHABMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc2o1 ZINC000022902838 211367843 /nfs/dbraw/zinc/36/78/43/211367843.db2.gz LKZPAEOJKXEBOT-UHFFFAOYSA-N -1 1 351.383 3.747 40 0 FHABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2oc1=O ZINC000019936757 211261812 /nfs/dbraw/zinc/26/18/12/211261812.db2.gz JHAHCKAGACBSIE-UHFFFAOYSA-N -1 1 368.414 3.568 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(C)CC3)c2)c1 ZINC000015734905 211141587 /nfs/dbraw/zinc/14/15/87/211141587.db2.gz GYSBVIZZPCXLBS-UHFFFAOYSA-N -1 1 372.490 3.668 40 0 FHABMM COc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)ccc1F ZINC000007361004 263350407 /nfs/dbraw/zinc/35/04/07/263350407.db2.gz YLQAKXDHDBQNNV-UHFFFAOYSA-N -1 1 374.231 3.706 40 0 FHABMM CCc1n[n-]c(=S)n1NCc1ccccc1OCc1ccccc1F ZINC000008339435 263354100 /nfs/dbraw/zinc/35/41/00/263354100.db2.gz WVSCFPXZUUODHS-UHFFFAOYSA-N -1 1 358.442 3.965 40 0 FHABMM CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010314691 263364830 /nfs/dbraw/zinc/36/48/30/263364830.db2.gz CFEKTFQJXABHST-UHFFFAOYSA-N -1 1 360.479 3.634 40 0 FHABMM COc1cc(CNn2c(C)n[n-]c2=S)ccc1OCc1cccs1 ZINC000022112425 263384686 /nfs/dbraw/zinc/38/46/86/263384686.db2.gz UWWLMJJGHFUURP-UHFFFAOYSA-N -1 1 362.480 3.642 40 0 FHABMM COc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c2cccnc12 ZINC000223260338 568631391 /nfs/dbraw/zinc/63/13/91/568631391.db2.gz LGOHUIUTDIALGP-UHFFFAOYSA-N -1 1 356.447 3.969 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1C ZINC000408559702 570554284 /nfs/dbraw/zinc/55/42/84/570554284.db2.gz BILIIHSSIZAKHQ-UHFFFAOYSA-N -1 1 373.478 3.732 40 0 FHABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1C ZINC000408609306 570581791 /nfs/dbraw/zinc/58/17/91/570581791.db2.gz SMDXRRUJDANUQC-UHFFFAOYSA-N -1 1 366.870 3.589 40 0 FHABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C ZINC000408613215 570581848 /nfs/dbraw/zinc/58/18/48/570581848.db2.gz ZUDREEPGIKWVGU-UHFFFAOYSA-N -1 1 352.843 3.716 40 0 FHABMM Cc1ccc(C(=O)NCCC(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010366758 570700401 /nfs/dbraw/zinc/70/04/01/570700401.db2.gz JRJRHNDFSGFFSL-UHFFFAOYSA-N -1 1 360.479 3.572 40 0 FHABMM O=C(Nc1ccc(F)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000005184655 570775769 /nfs/dbraw/zinc/77/57/69/570775769.db2.gz VCGIYGPKUOSOOX-UHFFFAOYSA-N -1 1 370.405 3.879 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)c1 ZINC000006352423 570780444 /nfs/dbraw/zinc/78/04/44/570780444.db2.gz YFBDACRNHBDLNA-UHFFFAOYSA-N -1 1 372.490 3.730 40 0 FHABMM COc1cc(CNn2cn[n-]c2=S)ccc1OCc1ccccc1C ZINC000007601212 570790855 /nfs/dbraw/zinc/79/08/55/570790855.db2.gz RIYACUMTRRCPTM-UHFFFAOYSA-N -1 1 356.451 3.580 40 0 FHABMM CCOc1cc(CNn2cn[n-]c2=S)ccc1OCc1ccccc1 ZINC000008254665 570794548 /nfs/dbraw/zinc/79/45/48/570794548.db2.gz ARGOATUKIRZIOK-UHFFFAOYSA-N -1 1 356.451 3.662 40 0 FHABMM CCC1(CC)C[C@@H]([N-]S(=O)(=O)c2c(C)noc2C)c2ccccc2O1 ZINC000224716783 570998547 /nfs/dbraw/zinc/99/85/47/570998547.db2.gz CQCXNSURJQMVGM-OAHLLOKOSA-N -1 1 364.467 3.652 40 0 FHABMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccc(C)c1 ZINC000224771972 571000542 /nfs/dbraw/zinc/00/05/42/571000542.db2.gz CLCKAWKIJASZOE-GOSISDBHSA-N -1 1 356.447 3.668 40 0 FHABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC000028195994 571027557 /nfs/dbraw/zinc/02/75/57/571027557.db2.gz QNUQQDRWPSQADW-UHFFFAOYSA-N -1 1 355.415 3.736 40 0 FHABMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000057121320 571121952 /nfs/dbraw/zinc/12/19/52/571121952.db2.gz UEVUGPZZNZIWNJ-LBPRGKRZSA-N -1 1 366.870 3.669 40 0 FHABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NC(C)C)ccc2C)c1 ZINC000006553306 571296658 /nfs/dbraw/zinc/29/66/58/571296658.db2.gz HEKAWDOEMNVQNY-UHFFFAOYSA-N -1 1 360.479 3.551 40 0 FHABMM CC(C)=CCc1c([O-])cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O ZINC000014762603 220132920 /nfs/dbraw/zinc/13/29/20/220132920.db2.gz VBOYLFNGTSLAAZ-SFHVURJKSA-N -1 1 356.374 3.724 40 0 biogenic,in-vitro FHABMM CCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000022516329 211352718 /nfs/dbraw/zinc/35/27/18/211352718.db2.gz XAPKWSNRKLXTJL-UHFFFAOYSA-N -1 1 366.870 3.671 40 0 FHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000020450170 211279318 /nfs/dbraw/zinc/27/93/18/211279318.db2.gz PTQWAHNPSIQEDQ-UHFFFAOYSA-N -1 1 358.463 3.539 40 0 FHABMM CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000015339461 211127684 /nfs/dbraw/zinc/12/76/84/211127684.db2.gz GXFMDCAMPWCOJU-UHFFFAOYSA-N -1 1 360.479 3.716 40 0 FHABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1C ZINC000013668021 211046299 /nfs/dbraw/zinc/04/62/99/211046299.db2.gz VTBUAXIBBVWFAO-UHFFFAOYSA-N -1 1 365.476 3.694 40 0 FHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1Cl ZINC000006406560 263345425 /nfs/dbraw/zinc/34/54/25/263345425.db2.gz CMYQQEKBNMDORQ-UHFFFAOYSA-N -1 1 350.198 3.942 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)cc1 ZINC000010315208 263365104 /nfs/dbraw/zinc/36/51/04/263365104.db2.gz VDWQSSQSHASVQV-UHFFFAOYSA-N -1 1 372.490 3.777 40 0 FHABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2c(CC)cccc2CC)ccc1C ZINC000408613122 263481847 /nfs/dbraw/zinc/48/18/47/263481847.db2.gz ZXLWMZBLGNZHQP-UHFFFAOYSA-N -1 1 374.506 3.670 40 0 FHABMM Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408545802 570527987 /nfs/dbraw/zinc/52/79/87/570527987.db2.gz OLIFZQFHPPWSNQ-UHFFFAOYSA-N -1 1 360.479 3.572 40 0 FHABMM CCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000408549365 570534438 /nfs/dbraw/zinc/53/44/38/570534438.db2.gz YIBIQAZRVAKROJ-HNNXBMFYSA-N -1 1 360.479 3.714 40 0 FHABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000408560047 570554250 /nfs/dbraw/zinc/55/42/50/570554250.db2.gz BRDXXLHFLNNEHS-UHFFFAOYSA-N -1 1 361.467 3.670 40 0 FHABMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000004944278 570673531 /nfs/dbraw/zinc/67/35/31/570673531.db2.gz QORGXULYLXRFBJ-MRVPVSSYSA-N -1 1 370.261 3.663 40 0 FHABMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCCCCC1 ZINC000008181444 570678345 /nfs/dbraw/zinc/67/83/45/570678345.db2.gz LMXQEBYJDQPNML-UHFFFAOYSA-N -1 1 358.463 3.504 40 0 FHABMM COc1cccc2c(C)nc(Nc3nc(-c4ccccc4C)cc(=O)[n-]3)nc12 ZINC000010157417 570699077 /nfs/dbraw/zinc/69/90/77/570699077.db2.gz ZHUNVTJVCNGYOF-UHFFFAOYSA-N -1 1 373.416 3.749 40 0 FHABMM CCOc1cc([C@@H]2NC[C@H](C(=O)[O-])S2)ccc1OCc1cccc(C)c1 ZINC000408979226 570707305 /nfs/dbraw/zinc/70/73/05/570707305.db2.gz QFEZADUJHWUJAC-RTBURBONSA-N -1 1 373.474 3.761 40 0 FHABMM CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000409383794 570754526 /nfs/dbraw/zinc/75/45/26/570754526.db2.gz HPKHPKSCOJXGLN-UHFFFAOYSA-N -1 1 374.506 3.895 40 0 FHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)C)ccc2C)cc1C ZINC000409380489 570755385 /nfs/dbraw/zinc/75/53/85/570755385.db2.gz FNODYXBUYFQQBR-UHFFFAOYSA-N -1 1 360.479 3.551 40 0 FHABMM COc1cc(CNn2c(C)n[n-]c2=S)ccc1OCc1ccc(F)cc1 ZINC000007602685 570791389 /nfs/dbraw/zinc/79/13/89/570791389.db2.gz SQNUKIRAPUMYFW-UHFFFAOYSA-N -1 1 374.441 3.720 40 0 FHABMM S=c1[n-]nc(-c2ccncc2)n1NCc1ccc(Br)cc1 ZINC000007601777 570791522 /nfs/dbraw/zinc/79/15/22/570791522.db2.gz HTQCYSWIJSXFFO-UHFFFAOYSA-N -1 1 362.256 3.509 40 0 FHABMM CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223939204 570972749 /nfs/dbraw/zinc/97/27/49/570972749.db2.gz JLIYLYZTPGDWHF-UHFFFAOYSA-N -1 1 360.479 3.716 40 0 FHABMM Cc1ccc(C(=O)NC(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224047808 570975436 /nfs/dbraw/zinc/97/54/36/570975436.db2.gz PFUGIRPEKSCHHY-UHFFFAOYSA-N -1 1 366.870 3.587 40 0 FHABMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030858431 571051263 /nfs/dbraw/zinc/05/12/63/571051263.db2.gz YFDIKTRSNCIVCV-GFCCVEGCSA-N -1 1 366.870 3.669 40 0 FHABMM Cc1cccc(C)c1-n1c(C)nc2nc(N3CCCC3)[n-]c(=O)c2c1=S ZINC000040386957 571090913 /nfs/dbraw/zinc/09/09/13/571090913.db2.gz SFRCXUZZRBTGHG-UHFFFAOYSA-N -1 1 367.478 3.776 40 0 FHABMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000055648261 571121244 /nfs/dbraw/zinc/12/12/44/571121244.db2.gz XMKLRMRNEXMQSI-UHFFFAOYSA-N -1 1 360.479 3.714 40 0 FHABMM Cc1cccc(CN2CCC[C@H]2c2cncc([N-]c3nncs3)n2)c1 ZINC000072376316 571185999 /nfs/dbraw/zinc/18/59/99/571185999.db2.gz ZMHYJYGSRBOSOT-INIZCTEOSA-N -1 1 352.467 3.717 40 0 FHABMM COc1ccc2nc(Nc3nc(-c4ccc(C)cc4)cc(=O)[n-]3)nc(C)c2c1 ZINC000020633969 211292176 /nfs/dbraw/zinc/29/21/76/211292176.db2.gz YANSFZCRPYCMTO-UHFFFAOYSA-N -1 1 373.416 3.749 40 0 FHABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000020480999 211283919 /nfs/dbraw/zinc/28/39/19/211283919.db2.gz KSJYPIPXXRQIOF-UHFFFAOYSA-N -1 1 374.245 3.971 40 0 FHABMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000020029995 211266032 /nfs/dbraw/zinc/26/60/32/211266032.db2.gz QLLZPESWVOXMQN-UHFFFAOYSA-N -1 1 351.733 3.567 40 0 FHABMM O=C(NCc1ccc(Cl)cc1Cl)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937189 211262214 /nfs/dbraw/zinc/26/22/14/211262214.db2.gz RTRHKHCEQYYDBT-UHFFFAOYSA-N -1 1 374.227 3.674 40 0 FHABMM O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937244 211261126 /nfs/dbraw/zinc/26/11/26/211261126.db2.gz HVNVPWJJDMMHGQ-UHFFFAOYSA-N -1 1 359.307 3.708 40 0 FHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2C)cc1 ZINC000017056188 211174962 /nfs/dbraw/zinc/17/49/62/211174962.db2.gz WDRCTNIWAXHIQK-MRXNPFEDSA-N -1 1 374.506 3.879 40 0 FHABMM CCc1cc(=O)n2[n-]c([C@H]3CCCCN3Cc3cccc(OC)c3)cc2n1 ZINC000100727908 222250480 /nfs/dbraw/zinc/25/04/80/222250480.db2.gz MVHGWMDAQLKRPW-LJQANCHMSA-N -1 1 366.465 3.733 40 0 FHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1C ZINC000223796474 568731798 /nfs/dbraw/zinc/73/17/98/568731798.db2.gz QHRCTLDAMPQVGC-UHFFFAOYSA-N -1 1 355.415 3.736 40 0 FHABMM CCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000408545741 570527426 /nfs/dbraw/zinc/52/74/26/570527426.db2.gz NRFZEQBXFOQUKE-UHFFFAOYSA-N -1 1 374.506 3.943 40 0 FHABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 ZINC000408597940 570574322 /nfs/dbraw/zinc/57/43/22/570574322.db2.gz WVMCRWVFHVAXFG-UHFFFAOYSA-N -1 1 374.506 3.805 40 0 FHABMM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1C ZINC000005021682 570618405 /nfs/dbraw/zinc/61/84/05/570618405.db2.gz JVKMSLSLXVBSFH-UHFFFAOYSA-N -1 1 365.458 3.785 40 0 FHABMM CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1n[n-]c(=S)n1C ZINC000005444180 570678530 /nfs/dbraw/zinc/67/85/30/570678530.db2.gz FQQUZIXXKSCCDT-NSHDSACASA-N -1 1 359.282 3.912 40 0 FHABMM CCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010336344 570700360 /nfs/dbraw/zinc/70/03/60/570700360.db2.gz PEDIUEIVMPLPTG-UHFFFAOYSA-N -1 1 360.479 3.716 40 0 FHABMM COc1ccccc1CN1CCCC[C@@H]1c1cc2nc(C)c(C)c(=O)n2[n-]1 ZINC000012337777 570737889 /nfs/dbraw/zinc/73/78/89/570737889.db2.gz ZGDSASYLROJTDW-GOSISDBHSA-N -1 1 366.465 3.788 40 0 FHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cc1 ZINC000006270447 570780076 /nfs/dbraw/zinc/78/00/76/570780076.db2.gz JLXXNQQYEBXQCC-UHFFFAOYSA-N -1 1 370.405 3.879 40 0 FHABMM COc1cc(CNn2c(C)n[n-]c2=S)ccc1OCc1ccccc1F ZINC000007602687 570791452 /nfs/dbraw/zinc/79/14/52/570791452.db2.gz VYESIJMHZFBUKW-UHFFFAOYSA-N -1 1 374.441 3.720 40 0 FHABMM O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223919594 570971523 /nfs/dbraw/zinc/97/15/23/570971523.db2.gz DNRGTGOTQSUADS-UHFFFAOYSA-N -1 1 372.490 3.940 40 0 FHABMM O=C(NCC1=CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000223928701 570972278 /nfs/dbraw/zinc/97/22/78/570972278.db2.gz JUDWJMNWQKDAFS-UHFFFAOYSA-N -1 1 370.474 3.718 40 0 FHABMM CCn1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2sc1=O ZINC000225122691 571016314 /nfs/dbraw/zinc/01/63/14/571016314.db2.gz JGGDISZZGUJRKS-UHFFFAOYSA-N -1 1 362.476 3.501 40 0 FHABMM Cc1cc(C(=O)N[C@H](C)C(C)C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000225205071 571021531 /nfs/dbraw/zinc/02/15/31/571021531.db2.gz OURBIOOXCFSIJN-OAHLLOKOSA-N -1 1 360.479 3.570 40 0 FHABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000028196720 571027359 /nfs/dbraw/zinc/02/73/59/571027359.db2.gz XASMXNQBIWCBIZ-UHFFFAOYSA-N -1 1 373.352 3.601 40 0 FHABMM CCc1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 ZINC000225817298 571069957 /nfs/dbraw/zinc/06/99/57/571069957.db2.gz IZOZQTUTWJSLGH-UHFFFAOYSA-N -1 1 364.492 3.730 40 0 FHABMM CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000006706752 571297134 /nfs/dbraw/zinc/29/71/34/571297134.db2.gz CAIGESZDHCAMPX-UHFFFAOYSA-N -1 1 374.506 3.895 40 0 FHABMM CCc1nc(SC(=Cc2cc(Cl)cc(Cl)c2O)C(=O)[O-])n[nH]1 ZINC000007342410 571298579 /nfs/dbraw/zinc/29/85/79/571298579.db2.gz OWDADHKZZPCAPY-WTKPLQERSA-N -1 1 360.222 3.597 40 0 FHABMM O=C([O-])C(=Cc1cccnc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000007365588 571298822 /nfs/dbraw/zinc/29/88/22/571298822.db2.gz IVZGHDDEFSVVJG-JYRVWZFOSA-N -1 1 358.810 3.738 40 0 FHABMM CCCCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010329398 571303015 /nfs/dbraw/zinc/30/30/15/571303015.db2.gz SYORUFBBEFHWEX-UHFFFAOYSA-N -1 1 360.479 3.716 40 0 FHABMM CC(C)C(NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000010315226 571303055 /nfs/dbraw/zinc/30/30/55/571303055.db2.gz IFVRRBGRAXPWKY-UHFFFAOYSA-N -1 1 374.506 3.898 40 0 FHABMM CCOC(=O)c1ccc([O-])c(NC(=O)C2(Br)CCCCC2)c1 ZINC000013998981 220101950 /nfs/dbraw/zinc/10/19/50/220101950.db2.gz NJJPRXWYRNNBGG-UHFFFAOYSA-N -1 1 370.243 3.605 40 0 FHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)cc1 ZINC000017172601 211181970 /nfs/dbraw/zinc/18/19/70/211181970.db2.gz XJGDJQRIFFYTPS-UHFFFAOYSA-N -1 1 360.479 3.572 40 0 FHABMM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc3ccccc32)CC1 ZINC000004241871 210518600 /nfs/dbraw/zinc/51/86/00/210518600.db2.gz DDVSCUBGOYVIJP-GOSISDBHSA-N -1 1 370.449 3.518 40 0 FHABMM C[C@@](O)(c1ccccc1)c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000004809114 570607562 /nfs/dbraw/zinc/60/75/62/570607562.db2.gz NRPTYJGKSNGZCG-HXUWFJFHSA-N -1 1 353.443 3.743 40 0 FHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000010112364 570698276 /nfs/dbraw/zinc/69/82/76/570698276.db2.gz INHOOADMYYXWLE-UHFFFAOYSA-N -1 1 353.827 3.626 40 0 FHABMM Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000010112546 570698603 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/nfs/dbraw/zinc/79/14/26/570791426.db2.gz FJSQLFNHOYWNQZ-UHFFFAOYSA-N -1 1 351.229 3.707 40 0 FHABMM O=C(Nc1ccccc1F)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008289047 570794574 /nfs/dbraw/zinc/79/45/74/570794574.db2.gz FUBODIDOBTVUMR-UHFFFAOYSA-N -1 1 370.405 3.879 40 0 FHABMM COc1cc(CNn2cn[n-]c2=S)ccc1OCc1ccc(C)cc1 ZINC000008550158 570795501 /nfs/dbraw/zinc/79/55/01/570795501.db2.gz DZSHOKMYSKHSSI-UHFFFAOYSA-N -1 1 356.451 3.580 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2C)c1 ZINC000028493365 571030807 /nfs/dbraw/zinc/03/08/07/571030807.db2.gz ZREMCSHBFQMVPO-UHFFFAOYSA-N -1 1 372.490 3.777 40 0 FHABMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000225676891 571055048 /nfs/dbraw/zinc/05/50/48/571055048.db2.gz MZLHZITWGHZEDT-LJQANCHMSA-N -1 1 370.474 3.976 40 0 FHABMM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1ccc2c(c1)OCCO2 ZINC000039536387 571089264 /nfs/dbraw/zinc/08/92/64/571089264.db2.gz NKPHXNJDGUPSSN-UHFFFAOYSA-N -1 1 367.426 3.510 40 0 FHABMM CCOc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OC(C)C ZINC000006537644 571296692 /nfs/dbraw/zinc/29/66/92/571296692.db2.gz CUIHLOIUXFAHNE-DHDCSXOGSA-N -1 1 363.439 3.517 40 0 FHABMM CCOc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OC(C)C ZINC000006537644 571296694 /nfs/dbraw/zinc/29/66/94/571296694.db2.gz CUIHLOIUXFAHNE-DHDCSXOGSA-N -1 1 363.439 3.517 40 0 FHABMM O=C([O-])c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009063454 571302613 /nfs/dbraw/zinc/30/26/13/571302613.db2.gz BDLFOLPJPLJPNN-UHFFFAOYSA-N -1 1 372.852 3.889 40 0 FHABMM Cc1noc(C2CCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)n1 ZINC000257246045 223036066 /nfs/dbraw/zinc/03/60/66/223036066.db2.gz ISFOWTRFMYUWSH-UHFFFAOYSA-N -1 1 367.405 3.716 40 0 FHABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4ccccc4c3)ccc21 ZINC000007323268 219801137 /nfs/dbraw/zinc/80/11/37/219801137.db2.gz CPLCBMDPEZTQPX-UHFFFAOYSA-N -1 1 366.442 3.550 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2C)c1 ZINC000017056195 220202113 /nfs/dbraw/zinc/20/21/13/220202113.db2.gz XRCMDOCKLVXUEN-MRXNPFEDSA-N -1 1 374.506 3.879 40 0 FHABMM COc1ccc(C)cc1CN1CCCC[C@H]1c1cc2nc(C)cc(=O)n2[n-]1 ZINC000100732633 222250703 /nfs/dbraw/zinc/25/07/03/222250703.db2.gz VCGVKBNHCYGDCN-SFHVURJKSA-N -1 1 366.465 3.788 40 0 FHABMM CCc1n[n-]c(=S)n1NCc1cccc(OCc2ccccc2F)c1 ZINC000008339363 263354575 /nfs/dbraw/zinc/35/45/75/263354575.db2.gz ATENHKOBOMIYQN-UHFFFAOYSA-N -1 1 358.442 3.965 40 0 FHABMM CCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000409411249 263556869 /nfs/dbraw/zinc/55/68/69/263556869.db2.gz VGCCKFMYZNVWDY-UHFFFAOYSA-N -1 1 374.506 3.943 40 0 FHABMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CCCCC1 ZINC000020038070 523936685 /nfs/dbraw/zinc/93/66/85/523936685.db2.gz GGANZJRDTFOOBH-UHFFFAOYSA-N -1 1 372.490 3.892 40 0 FHABMM Cc1ccc2c(c1)[C@H](CCO)O[C@H]([C@@H](C)c1cc([O-])c(C)c(=O)o1)[C@H]2C ZINC000514288047 560035599 /nfs/dbraw/zinc/03/55/99/560035599.db2.gz KYRDITCXPNFIBT-MAVFNCMMSA-N -1 1 358.434 3.692 40 0 biogenic,in-vitro FHABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 ZINC000223801673 568732872 /nfs/dbraw/zinc/73/28/72/568732872.db2.gz GEWWKUYCOQGGSN-UHFFFAOYSA-N -1 1 361.463 3.925 40 0 FHABMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000007360760 570662757 /nfs/dbraw/zinc/66/27/57/570662757.db2.gz PMGBYWLIENPMDI-UHFFFAOYSA-N -1 1 366.870 3.669 40 0 FHABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007708284 570670576 /nfs/dbraw/zinc/67/05/76/570670576.db2.gz UJXGAVKNYFAXEH-UHFFFAOYSA-N -1 1 364.854 3.576 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCC(C)C)ccc2C)cc1 ZINC000010329526 570700291 /nfs/dbraw/zinc/70/02/91/570700291.db2.gz UXSKZGQYCRRWLI-UHFFFAOYSA-N -1 1 374.506 3.880 40 0 FHABMM Cc1cccc(Cn2cc([C@H]3NC[C@H](C(=O)[O-])S3)c3ccccc32)c1 ZINC000408977246 570706664 /nfs/dbraw/zinc/70/66/64/570706664.db2.gz HVMKVADNBUIRBI-MOPGFXCFSA-N -1 1 352.459 3.786 40 0 FHABMM Cc1nc2cc([C@H]3CCCCN3Cc3cccc(F)c3)[n-]n2c(=O)c1C ZINC000012337776 570737720 /nfs/dbraw/zinc/73/77/20/570737720.db2.gz OUQQKVCINAWDPO-GOSISDBHSA-N -1 1 354.429 3.918 40 0 FHABMM COc1ccc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)cc1 ZINC000012337782 570737853 /nfs/dbraw/zinc/73/78/53/570737853.db2.gz OCSMFQOAUVRYOP-IBGZPJMESA-N -1 1 366.465 3.788 40 0 FHABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC000024256623 570973596 /nfs/dbraw/zinc/97/35/96/570973596.db2.gz CRNPLXKJAWXZAF-UHFFFAOYSA-N -1 1 360.218 3.581 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)C(C)C)c2C)cc1 ZINC000225204567 571021432 /nfs/dbraw/zinc/02/14/32/571021432.db2.gz ZEKQKFTWUUGGMT-INIZCTEOSA-N -1 1 374.506 3.879 40 0 FHABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000028196188 571027579 /nfs/dbraw/zinc/02/75/79/571027579.db2.gz KKCGHCGTCMHQPO-UHFFFAOYSA-N -1 1 353.827 3.544 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)C(C)C)c2)cc1 ZINC000030013030 571045633 /nfs/dbraw/zinc/04/56/33/571045633.db2.gz UUSSDDLEAPNNIX-HNNXBMFYSA-N -1 1 360.479 3.570 40 0 FHABMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCCC1 ZINC000030854991 571051261 /nfs/dbraw/zinc/05/12/61/571051261.db2.gz MGTDLCJJUHBVNR-UHFFFAOYSA-N -1 1 358.463 3.502 40 0 FHABMM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000225676868 571055012 /nfs/dbraw/zinc/05/50/12/571055012.db2.gz MZLHZITWGHZEDT-IBGZPJMESA-N -1 1 370.474 3.976 40 0 FHABMM O=S(=O)([N-]c1cccc(C2OCCO2)c1)c1ccc2ccccc2c1 ZINC000059489553 571091501 /nfs/dbraw/zinc/09/15/01/571091501.db2.gz LGHWVZQZQFNILK-UHFFFAOYSA-N -1 1 355.415 3.686 40 0 FHABMM COc1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000006270313 571278022 /nfs/dbraw/zinc/27/80/22/571278022.db2.gz KUKDYVCLMMLADZ-UHFFFAOYSA-N -1 1 356.241 3.567 40 0 FHABMM CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000006415778 571296397 /nfs/dbraw/zinc/29/63/97/571296397.db2.gz LJRGTFAUHPVCRY-INIZCTEOSA-N -1 1 374.506 3.941 40 0 FHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2C)c1 ZINC000017056199 220201622 /nfs/dbraw/zinc/20/16/22/220201622.db2.gz XRCMDOCKLVXUEN-INIZCTEOSA-N -1 1 374.506 3.879 40 0 FHABMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCCCC1 ZINC000017357058 220214837 /nfs/dbraw/zinc/21/48/37/220214837.db2.gz NWFULGFJFDFPHJ-UHFFFAOYSA-N -1 1 372.490 3.892 40 0 FHABMM O=C(NCCc1nc(-c2ccc(Cl)cc2)cs1)c1cncc([O-])c1 ZINC000019336910 220251772 /nfs/dbraw/zinc/25/17/72/220251772.db2.gz MYFWCDOEPHNNDH-UHFFFAOYSA-N -1 1 359.838 3.537 40 0 FHABMM COc1ccc(C)cc1CN1CCCC[C@@H]1c1cc2nc(C)cc(=O)n2[n-]1 ZINC000100732632 222250756 /nfs/dbraw/zinc/25/07/56/222250756.db2.gz VCGVKBNHCYGDCN-GOSISDBHSA-N -1 1 366.465 3.788 40 0 FHABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(C)=O ZINC000223175103 568622038 /nfs/dbraw/zinc/62/20/38/568622038.db2.gz OXSTZIAAMJBPMQ-UHFFFAOYSA-N -1 1 370.883 3.821 40 0 FHABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c1 ZINC000408584135 570563751 /nfs/dbraw/zinc/56/37/51/570563751.db2.gz MCPLHEVOTYJNBU-UHFFFAOYSA-N -1 1 374.506 3.798 40 0 FHABMM CCOc1ccc(Br)cc1CNCc1ccc(C(=O)[O-])cc1 ZINC000008324583 570680420 /nfs/dbraw/zinc/68/04/20/570680420.db2.gz WGZFDECHGAVFJU-UHFFFAOYSA-N -1 1 364.239 3.836 40 0 FHABMM CCOc1cc([C@H]2NC[C@H](C(=O)[O-])S2)ccc1OCc1cccc(C)c1 ZINC000408979223 570707446 /nfs/dbraw/zinc/70/74/46/570707446.db2.gz QFEZADUJHWUJAC-MOPGFXCFSA-N -1 1 373.474 3.761 40 0 FHABMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000194724896 570880979 /nfs/dbraw/zinc/88/09/79/570880979.db2.gz RVVWTLCKFALYQA-UHFFFAOYSA-N -1 1 366.870 3.587 40 0 FHABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 ZINC000223931762 570972317 /nfs/dbraw/zinc/97/23/17/570972317.db2.gz BQJBHCIYVZYAAT-UHFFFAOYSA-N -1 1 372.490 3.858 40 0 FHABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000028195891 571027391 /nfs/dbraw/zinc/02/73/91/571027391.db2.gz AUMDHMIXVMYYRR-UHFFFAOYSA-N -1 1 374.245 3.889 40 0 FHABMM Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)[N-]C3=O)cc2c1 ZINC000033333444 571064240 /nfs/dbraw/zinc/06/42/40/571064240.db2.gz KNHVMPRMOMHWFP-XNTDXEJSSA-N -1 1 371.487 3.709 40 0 FHABMM Cc1cc(I)ccc1NC(=O)c1ccccc1[O-] ZINC000059474397 571090715 /nfs/dbraw/zinc/09/07/15/571090715.db2.gz NITVWJGFLDJWEF-UHFFFAOYSA-N -1 1 353.159 3.558 40 0 FHABMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000078234685 571215993 /nfs/dbraw/zinc/21/59/93/571215993.db2.gz PRVNBOHPUMJZPU-UHFFFAOYSA-N -1 1 354.431 3.623 40 0 FHABMM CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000006224044 571295523 /nfs/dbraw/zinc/29/55/23/571295523.db2.gz ZPGWQNRCHZQXSC-OAHLLOKOSA-N -1 1 360.479 3.633 40 0 FHABMM CCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010367003 571303314 /nfs/dbraw/zinc/30/33/14/571303314.db2.gz KALPIQNSYCQWME-UHFFFAOYSA-N -1 1 360.479 3.716 40 0 FHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1C ZINC000223798486 222793968 /nfs/dbraw/zinc/79/39/68/222793968.db2.gz MLFYXCNVMBMFHU-UHFFFAOYSA-N -1 1 353.827 3.544 40 0 FHABMM Cc1nccc(C2CN(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1 ZINC000257266418 223044035 /nfs/dbraw/zinc/04/40/35/223044035.db2.gz MCYPPEQTNUSANF-UHFFFAOYSA-N -1 1 359.429 3.750 40 0 FHABMM COC(=O)c1ccc(-c2ccc(CNCc3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000007539125 263351917 /nfs/dbraw/zinc/35/19/17/263351917.db2.gz JGCDDJXNDPTSQT-UHFFFAOYSA-N -1 1 365.385 3.721 40 0 FHABMM CCc1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccccc1 ZINC000008339380 263354110 /nfs/dbraw/zinc/35/41/10/263354110.db2.gz HLCIKAKGKADVNQ-UHFFFAOYSA-N -1 1 370.478 3.834 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CCCC3)c2C)cc1 ZINC000010314561 263364604 /nfs/dbraw/zinc/36/46/04/263364604.db2.gz DVSHWLLCJLWDFP-UHFFFAOYSA-N -1 1 372.490 3.777 40 0 FHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1Cl ZINC000020493082 521520774 /nfs/dbraw/zinc/52/07/74/521520774.db2.gz CQNYDMAFNFWLQG-UHFFFAOYSA-N -1 1 371.817 3.598 40 0 FHABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(C)=O ZINC000223556329 568669012 /nfs/dbraw/zinc/66/90/12/568669012.db2.gz SJQKKNTTYWDXPW-UHFFFAOYSA-N -1 1 364.492 3.785 40 0 FHABMM CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000408544670 570526917 /nfs/dbraw/zinc/52/69/17/570526917.db2.gz IKFDFYAWOXQTLP-UHFFFAOYSA-N -1 1 360.479 3.552 40 0 FHABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 ZINC000408596080 570576067 /nfs/dbraw/zinc/57/60/67/570576067.db2.gz RDLYPFNPNJKXLC-UHFFFAOYSA-N -1 1 372.490 3.594 40 0 FHABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1 ZINC000408596810 570576851 /nfs/dbraw/zinc/57/68/51/570576851.db2.gz SHYWRIDSIRYHMV-UHFFFAOYSA-N -1 1 360.479 3.551 40 0 FHABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)ccc1C ZINC000408612001 570581306 /nfs/dbraw/zinc/58/13/06/570581306.db2.gz XVBKHRXJHSDTAQ-UHFFFAOYSA-N -1 1 360.479 3.552 40 0 FHABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1OCC ZINC000007927707 570593499 /nfs/dbraw/zinc/59/34/99/570593499.db2.gz XHCCXKXSZOXVFW-UHFFFAOYSA-N -1 1 355.843 3.938 40 0 FHABMM O=C1[N-]C(=S)NC1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000005740949 570634573 /nfs/dbraw/zinc/63/45/73/570634573.db2.gz SQKMKCKFTPIHCO-CXUHLZMHSA-N -1 1 367.861 3.688 40 0 FHABMM Cc1sc2nc(-c3ccc(I)o3)[n-]c(=O)c2c1C ZINC000408735371 570685760 /nfs/dbraw/zinc/68/57/60/570685760.db2.gz QUBWSUWKANUYHV-UHFFFAOYSA-N -1 1 372.187 3.878 40 0 FHABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000156742439 570718187 /nfs/dbraw/zinc/71/81/87/570718187.db2.gz MFXQZMVSFPYRCY-UHFFFAOYSA-N -1 1 367.854 3.798 40 0 FHABMM CCOc1cc(CNn2c(C)n[n-]c2=S)ccc1OCc1ccccc1 ZINC000008254664 570794509 /nfs/dbraw/zinc/79/45/09/570794509.db2.gz GCBIECRQTUTAAW-UHFFFAOYSA-N -1 1 370.478 3.971 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)C(C)C)c2C)cc1 ZINC000225204609 571021501 /nfs/dbraw/zinc/02/15/01/571021501.db2.gz ZEKQKFTWUUGGMT-MRXNPFEDSA-N -1 1 374.506 3.879 40 0 FHABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1Cl ZINC000225595731 571047951 /nfs/dbraw/zinc/04/79/51/571047951.db2.gz GFOCMFUKGNQPKW-UHFFFAOYSA-N -1 1 371.817 3.765 40 0 FHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N(C)C1CCCC1 ZINC000038753968 571085876 /nfs/dbraw/zinc/08/58/76/571085876.db2.gz MDPXUVNLXANFDI-UHFFFAOYSA-N -1 1 372.490 3.810 40 0 FHABMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1N1CCCC1=O ZINC000044900861 571104084 /nfs/dbraw/zinc/10/40/84/571104084.db2.gz QLVFCBZWCUMDAD-UHFFFAOYSA-N -1 1 364.854 3.576 40 0 FHABMM Cc1ccc(C(=O)NC2CCCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010357896 571303153 /nfs/dbraw/zinc/30/31/53/571303153.db2.gz DLXMJUALVGTOIR-UHFFFAOYSA-N -1 1 372.490 3.858 40 0 FHABMM CC(=O)Nc1nonc1[N-]C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000001095779 219368140 /nfs/dbraw/zinc/36/81/40/219368140.db2.gz INZRVIHYCRHXDA-UHFFFAOYSA-N -1 1 371.205 3.802 40 0 FHABMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 ZINC000223836927 222795342 /nfs/dbraw/zinc/79/53/42/222795342.db2.gz YCMINGXPZXAZDQ-UHFFFAOYSA-N -1 1 361.463 3.925 40 0 FHABMM O=C(NCC1=CCCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000224074023 222805378 /nfs/dbraw/zinc/80/53/78/222805378.db2.gz PXBFWFZQUMMERM-UHFFFAOYSA-N -1 1 370.474 3.718 40 0 FHABMM Cc1cc([C@@H]2CCCN2Cc2cnn(-c3ccccc3C(=O)[O-])c2)ccn1 ZINC000257344545 223073600 /nfs/dbraw/zinc/07/36/00/223073600.db2.gz ZXSPRRZTYTXSSL-IBGZPJMESA-N -1 1 362.433 3.611 40 0 FHABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000013670592 220082589 /nfs/dbraw/zinc/08/25/89/220082589.db2.gz LIUZCCQZBKHJQB-UHFFFAOYSA-N -1 1 353.827 3.626 40 0 FHABMM O=C(Nc1cc(Cl)ccc1Cl)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937233 220306734 /nfs/dbraw/zinc/30/67/34/220306734.db2.gz AWENGYOLUSJYPO-UHFFFAOYSA-N -1 1 360.200 3.996 40 0 FHABMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000021002228 220348437 /nfs/dbraw/zinc/34/84/37/220348437.db2.gz CKLXGVJRMVSJPA-UHFFFAOYSA-N -1 1 366.870 3.527 40 0 FHABMM CCC(CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000068935565 221319802 /nfs/dbraw/zinc/31/98/02/221319802.db2.gz BMAFGROKFUNTLO-UHFFFAOYSA-N -1 1 364.442 3.545 40 0 FHABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000101983968 222287874 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CCc1cccc(C)c1[N-]S(=O)(=O)c1cc2oc(=O)n(CC)c2cc1C ZINC000223353144 568644272 /nfs/dbraw/zinc/64/42/72/568644272.db2.gz CVXPUYXBZLIFKC-UHFFFAOYSA-N -1 1 374.462 3.594 40 0 FHABMM COc1cc(C)c([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1C(C)C ZINC000223382528 568648469 /nfs/dbraw/zinc/64/84/69/568648469.db2.gz KMTYLMZDBXDUBD-GFCCVEGCSA-N -1 1 366.483 3.771 40 0 FHABMM CN(C)c1ccc2nc(CC([O-])(C(F)(F)F)C(F)(F)F)ccc2c1 ZINC000001614918 570502980 /nfs/dbraw/zinc/50/29/80/570502980.db2.gz AWILFNKHRQWBNJ-UHFFFAOYSA-N -1 1 352.278 3.699 40 0 FHABMM CCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408545707 570527463 /nfs/dbraw/zinc/52/74/63/570527463.db2.gz MUDHJXGWLMARDG-OAHLLOKOSA-N -1 1 360.479 3.714 40 0 FHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c1 ZINC000408584698 570565142 /nfs/dbraw/zinc/56/51/42/570565142.db2.gz TZDOTJPHXRYJAX-UHFFFAOYSA-N -1 1 374.506 3.798 40 0 FHABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2C)ccc1C ZINC000408602675 570580038 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O=c1c2c([n-]n1-c1ccc(F)cc1)nc(-c1ccc3ccccc3c1)cc2O ZINC000008021169 570794165 /nfs/dbraw/zinc/79/41/65/570794165.db2.gz ZJTBSTOBVFLORE-UHFFFAOYSA-N -1 1 371.371 3.966 40 0 FHABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC000223835470 570969908 /nfs/dbraw/zinc/96/99/08/570969908.db2.gz YQWJTRQZVWFHQS-UHFFFAOYSA-N -1 1 374.245 3.889 40 0 FHABMM O=C([O-])c1c[nH]c2cc(OCc3ccc(Br)cc3)ccc2c1=O ZINC000027716873 571018822 /nfs/dbraw/zinc/01/88/22/571018822.db2.gz SWTMBXHEWHOJEQ-UHFFFAOYSA-N -1 1 374.190 3.568 40 0 FHABMM O=C(O)c1c[n-]c2cc(OCc3ccc(Br)cc3)ccc2c1=O ZINC000027716873 571018825 /nfs/dbraw/zinc/01/88/25/571018825.db2.gz SWTMBXHEWHOJEQ-UHFFFAOYSA-N -1 1 374.190 3.568 40 0 FHABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225702263 571057263 /nfs/dbraw/zinc/05/72/63/571057263.db2.gz NMBDLKWCQPBCQL-UHFFFAOYSA-N -1 1 362.476 3.753 40 0 FHABMM Oc1ccc(CN2CCC[C@@H]2c2ccnc([N-]c3nccs3)n2)cc1 ZINC000072377891 571186925 /nfs/dbraw/zinc/18/69/25/571186925.db2.gz 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CCc1ccc2oc(-c3ccc(NC(=S)NC(C)=O)cc3[O-])nc2c1 ZINC000009064230 570798099 /nfs/dbraw/zinc/79/80/99/570798099.db2.gz CBLIRBRYMPRGLO-UHFFFAOYSA-N -1 1 355.419 3.596 40 0 FHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H](C)C(C)C ZINC000225204474 571021540 /nfs/dbraw/zinc/02/15/40/571021540.db2.gz OWVGEEGEIQWKAQ-HNNXBMFYSA-N -1 1 360.479 3.570 40 0 FHABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC000028195984 571027496 /nfs/dbraw/zinc/02/74/96/571027496.db2.gz WNNSWTSKVVQBCD-UHFFFAOYSA-N -1 1 353.827 3.544 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)C(C)C)c2)cc1 ZINC000030013029 571045413 /nfs/dbraw/zinc/04/54/13/571045413.db2.gz UUSSDDLEAPNNIX-OAHLLOKOSA-N -1 1 360.479 3.570 40 0 FHABMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225675221 571054820 /nfs/dbraw/zinc/05/48/20/571054820.db2.gz BVHQXZYXPKFOJL-UHFFFAOYSA-N -1 1 362.476 3.524 40 0 FHABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2sc1=O ZINC000225686846 571055809 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CCOc1cccc(CNn2c(=S)[n-]nc2-c2ccccc2OC)c1 ZINC000008325289 263354560 /nfs/dbraw/zinc/35/45/60/263354560.db2.gz HGTSXVREPKZFRE-UHFFFAOYSA-N -1 1 356.451 3.759 40 0 FHABMM Cc1ccc2c(c1)[C@H](CCO)O[C@H]([C@@H](C)c1cc([O-])c(C)c(=O)o1)[C@@H]2C ZINC000514288046 560035607 /nfs/dbraw/zinc/03/56/07/560035607.db2.gz KYRDITCXPNFIBT-KJNPBUOASA-N -1 1 358.434 3.692 40 0 biogenic,in-vitro FHABMM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000223317573 568639401 /nfs/dbraw/zinc/63/94/01/568639401.db2.gz TXPVWNNTXOAVGE-UHFFFAOYSA-N -1 1 373.217 3.537 40 0 FHABMM CCCCc1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1 ZINC000223338526 568642262 /nfs/dbraw/zinc/64/22/62/568642262.db2.gz NCRHEKXYXXEHOF-UHFFFAOYSA-N -1 1 374.462 3.583 40 0 FHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1Cl ZINC000223674902 568697556 /nfs/dbraw/zinc/69/75/56/568697556.db2.gz NJIKSFHSZQWOML-UHFFFAOYSA-N -1 1 367.854 3.934 40 0 FHABMM Cc1nnc(SC(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)[O-])[nH]1 ZINC000006959296 570577823 /nfs/dbraw/zinc/57/78/23/570577823.db2.gz CCVCOVDDJCMSJV-ZROIWOOFSA-N -1 1 360.826 3.775 40 0 FHABMM Cc1nc(SC(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)[O-])n[nH]1 ZINC000006959296 570577826 /nfs/dbraw/zinc/57/78/26/570577826.db2.gz CCVCOVDDJCMSJV-ZROIWOOFSA-N -1 1 360.826 3.775 40 0 FHABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1C ZINC000408602097 570579551 /nfs/dbraw/zinc/57/95/51/570579551.db2.gz HSKVTRINQFSNSX-UHFFFAOYSA-N -1 1 366.870 3.507 40 0 FHABMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1N1CCCC1=O ZINC000005329563 570623814 /nfs/dbraw/zinc/62/38/14/570623814.db2.gz IWKGCGXAVBYTHG-UHFFFAOYSA-N -1 1 364.854 3.576 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)c2ccccc2-3)cc1 ZINC000005486067 570628235 /nfs/dbraw/zinc/62/82/35/570628235.db2.gz CUWDBBXQCLABDP-HXUWFJFHSA-N -1 1 351.427 3.858 40 0 FHABMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000408713271 570667532 /nfs/dbraw/zinc/66/75/32/570667532.db2.gz QXDJZFMJUXWERP-UHFFFAOYSA-N -1 1 363.826 3.540 40 0 FHABMM O=c1ccn(C=C(c2ccccc2)[S@](=O)Cc2ccccc2)c(=S)[n-]1 ZINC000008665324 570684366 /nfs/dbraw/zinc/68/43/66/570684366.db2.gz PEIXJCIIORKYCP-KZRCSOKUSA-N -1 1 368.483 3.810 40 0 FHABMM COc1cc(CNn2cn[n-]c2=S)ccc1OCc1cccc(C)c1 ZINC000007601208 570790910 /nfs/dbraw/zinc/79/09/10/570790910.db2.gz ONUDLHCKCIIOPY-UHFFFAOYSA-N -1 1 356.451 3.580 40 0 FHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N[C@H](C)C(C)C ZINC000225204516 571021621 /nfs/dbraw/zinc/02/16/21/571021621.db2.gz OWVGEEGEIQWKAQ-OAHLLOKOSA-N -1 1 360.479 3.570 40 0 FHABMM CCOC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CC1 ZINC000225927343 571080260 /nfs/dbraw/zinc/08/02/60/571080260.db2.gz ZSHRLYSSFVUSTI-UHFFFAOYSA-N -1 1 373.474 3.699 40 0 FHABMM CCC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010314712 571302934 /nfs/dbraw/zinc/30/29/34/571302934.db2.gz LWUOMOJCRIOIQW-AWEZNQCLSA-N -1 1 360.479 3.714 40 0 FHABMM CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000027338451 571305227 /nfs/dbraw/zinc/30/52/27/571305227.db2.gz HIENSDCIWSZLSC-OAHLLOKOSA-N -1 1 360.479 3.633 40 0 FHABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2C)c1 ZINC000107994162 571307053 /nfs/dbraw/zinc/30/70/53/571307053.db2.gz UJOYEVYEPQYCJJ-UHFFFAOYSA-N -1 1 374.506 3.941 40 0 FHABMM CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000015339489 220152276 /nfs/dbraw/zinc/15/22/76/220152276.db2.gz LFNHVKFHUFEUIK-UHFFFAOYSA-N -1 1 360.479 3.716 40 0 FHABMM CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000016601528 220188133 /nfs/dbraw/zinc/18/81/33/220188133.db2.gz MBZLEUPGJGBUCI-OAHLLOKOSA-N -1 1 360.479 3.714 40 0 FHABMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4ccccc4c3)cc2sc1=O ZINC000068246990 221314077 /nfs/dbraw/zinc/31/40/77/221314077.db2.gz UPSFKGKMZTXRTM-UHFFFAOYSA-N -1 1 370.455 3.554 40 0 FHABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Cl)c1OCC ZINC000008339040 263354163 /nfs/dbraw/zinc/35/41/63/263354163.db2.gz WWMBBEKMXLQKQP-UHFFFAOYSA-N -1 1 356.879 3.698 40 0 FHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000020450376 263380035 /nfs/dbraw/zinc/38/00/35/263380035.db2.gz PPFKXVSGPWBXJL-UHFFFAOYSA-N -1 1 374.245 3.971 40 0 FHABMM COc1ccc([N-]S(=O)(=O)c2ccccc2Br)c(C)c1 ZINC000061569185 524699301 /nfs/dbraw/zinc/69/93/01/524699301.db2.gz OAMKNYLUYXCMSG-UHFFFAOYSA-N -1 1 356.241 3.567 40 0 FHABMM CC(C)CNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216416845 568122543 /nfs/dbraw/zinc/12/25/43/568122543.db2.gz UGXXONAALMTNGA-UHFFFAOYSA-N -1 1 366.870 3.527 40 0 FHABMM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)ccc2c1 ZINC000223343459 568642951 /nfs/dbraw/zinc/64/29/51/568642951.db2.gz OHIAEUKJYRCANK-UHFFFAOYSA-N -1 1 355.415 3.852 40 0 FHABMM CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223665056 568694145 /nfs/dbraw/zinc/69/41/45/568694145.db2.gz FQRJOOIPOBDCDB-UHFFFAOYSA-N -1 1 361.463 3.990 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(-c4ccccc4)nc3c2)cc1 ZINC000001511279 570501369 /nfs/dbraw/zinc/50/13/69/570501369.db2.gz ZWFASSJJSCDUKJ-UHFFFAOYSA-N -1 1 364.430 3.530 40 0 FHABMM CCOc1ccccc1-c1n[nH]c(SCc2ccc(C(=O)[O-])cc2)n1 ZINC000408527295 570508259 /nfs/dbraw/zinc/50/82/59/570508259.db2.gz LVCODBICJVDDSX-UHFFFAOYSA-N -1 1 355.419 3.861 40 0 FHABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1 ZINC000408561989 570555138 /nfs/dbraw/zinc/55/51/38/570555138.db2.gz MLNOZCGVZNPKEC-UHFFFAOYSA-N -1 1 373.478 3.732 40 0 FHABMM Cc1nnc(SC(=Cc2cc(Cl)ccc2OC(C)C)C(=O)[O-])[nH]1 ZINC000006588203 570562959 /nfs/dbraw/zinc/56/29/59/570562959.db2.gz FSDBSYKFVVVUAA-NTUHNPAUSA-N -1 1 353.831 3.772 40 0 FHABMM Cc1nc(SC(=Cc2cc(Cl)ccc2OC(C)C)C(=O)[O-])n[nH]1 ZINC000006588203 570562963 /nfs/dbraw/zinc/56/29/63/570562963.db2.gz FSDBSYKFVVVUAA-NTUHNPAUSA-N -1 1 353.831 3.772 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)NC(C)C ZINC000408589864 570567749 /nfs/dbraw/zinc/56/77/49/570567749.db2.gz FXJVWNZHHXWZSZ-UHFFFAOYSA-N -1 1 360.479 3.551 40 0 FHABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(C)c1 ZINC000408607589 570578685 /nfs/dbraw/zinc/57/86/85/570578685.db2.gz NGPUPVDBYFLPAC-UHFFFAOYSA-N -1 1 360.479 3.879 40 0 FHABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2CC)ccc1C ZINC000408601695 570579587 /nfs/dbraw/zinc/57/95/87/570579587.db2.gz GMPPNZIWSFGRPT-UHFFFAOYSA-N -1 1 374.506 3.806 40 0 FHABMM COc1ccccc1-c1cc(=O)[n-]c(Nc2nc(C)c3cccc(C)c3n2)n1 ZINC000010157430 570698991 /nfs/dbraw/zinc/69/89/91/570698991.db2.gz RTZFKYDKBWRBGJ-UHFFFAOYSA-N -1 1 373.416 3.749 40 0 FHABMM O=C([O-])[C@H]1CN[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 ZINC000408980065 570707828 /nfs/dbraw/zinc/70/78/28/570707828.db2.gz UIGVPKRHTLEJMO-QZTJIDSGSA-N -1 1 356.422 3.617 40 0 FHABMM CCc1cc(=O)n2[n-]c([C@@H]3CCCCN3Cc3ccccc3OC)cc2n1 ZINC000012276479 570731915 /nfs/dbraw/zinc/73/19/15/570731915.db2.gz QFLYOEIYBJQBOP-SFHVURJKSA-N -1 1 366.465 3.733 40 0 FHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000013612978 570780730 /nfs/dbraw/zinc/78/07/30/570780730.db2.gz ISJLWJCFGPCNPY-UHFFFAOYSA-N -1 1 361.463 3.898 40 0 FHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC(C)C)c2)cc1 ZINC000030850087 571050797 /nfs/dbraw/zinc/05/07/97/571050797.db2.gz LJQDNTXKRQXOKQ-UHFFFAOYSA-N -1 1 366.870 3.587 40 0 FHABMM O=c1c(-c2ccccc2)c([O-])[nH]c2cccc(I)c12 ZINC000685937170 571318928 /nfs/dbraw/zinc/31/89/28/571318928.db2.gz KSJXRZOPPQZSAH-UHFFFAOYSA-N -1 1 363.154 3.918 40 0 FHABMM